Daily Papers

Multivariable time series forecasting methods can integrate information from exogenous variables, leading to significant prediction accuracy gains. Transformer architecture has been widely applied in various time series forecasting models due to its ability to capture long-range sequential dependencies. However, a na\"ive application of transformers often struggles to effectively model complex relationships among variables over time. To mitigate against this, we propose a novel architecture, namely the Spectral Operator Neural Network (Sonnet). Sonnet applies learnable wavelet transformations to the input and incorporates spectral analysis using the Koopman operator. Its predictive skill relies on the Multivariable Coherence Attention (MVCA), an operation that leverages spectral coherence to model variable dependencies. Our empirical analysis shows that Sonnet yields the best performance on 34 out of 47 forecasting tasks with an average mean absolute error (MAE) reduction of 1.1% against the most competitive baseline (different per task). We further show that MVCA -- when put in place of the na\"ive attention used in various deep learning models -- can remedy its deficiencies, reducing MAE by 10.7% on average in the most challenging forecasting tasks.

Transformer and its variants are fundamental neural architectures in deep learning. Recent works show that learning attention in the Fourier space can improve the long sequence learning capability of Transformers. We argue that wavelet transform shall be a better choice because it captures both position and frequency information with linear time complexity. Therefore, in this paper, we systematically study the synergy between wavelet transform and Transformers. We propose Wavelet Space Attention (WavSpA) that facilitates attention learning in a learnable wavelet coefficient space which replaces the attention in Transformers by (1) applying forward wavelet transform to project the input sequences to multi-resolution bases, (2) conducting attention learning in the wavelet coefficient space, and (3) reconstructing the representation in input space via backward wavelet transform. Extensive experiments on the Long Range Arena demonstrate that learning attention in the wavelet space using either fixed or adaptive wavelets can consistently improve Transformer's performance and also significantly outperform learning in Fourier space. We further show our method can enhance Transformer's reasoning extrapolation capability over distance on the LEGO chain-of-reasoning task.

In this paper, we take a new approach to autoregressive image generation that is based on two main ingredients. The first is wavelet image coding, which allows to tokenize the visual details of an image from coarse to fine details by ordering the information starting with the most significant bits of the most significant wavelet coefficients. The second is a variant of a language transformer whose architecture is re-designed and optimized for token sequences in this 'wavelet language'. The transformer learns the significant statistical correlations within a token sequence, which are the manifestations of well-known correlations between the wavelet subbands at various resolutions. We show experimental results with conditioning on the generation process.

We introduce a novel state-space architecture for diffusion models, effectively harnessing spatial and frequency information to enhance the inductive bias towards local features in input images for image generation tasks. While state-space networks, including Mamba, a revolutionary advancement in recurrent neural networks, typically scan input sequences from left to right, they face difficulties in designing effective scanning strategies, especially in the processing of image data. Our method demonstrates that integrating wavelet transformation into Mamba enhances the local structure awareness of visual inputs and better captures long-range relations of frequencies by disentangling them into wavelet subbands, representing both low- and high-frequency components. These wavelet-based outputs are then processed and seamlessly fused with the original Mamba outputs through a cross-attention fusion layer, combining both spatial and frequency information to optimize the order awareness of state-space models which is essential for the details and overall quality of image generation. Besides, we introduce a globally-shared transformer to supercharge the performance of Mamba, harnessing its exceptional power to capture global relationships. Through extensive experiments on standard benchmarks, our method demonstrates superior results compared to DiT and DIFFUSSM, achieving faster training convergence and delivering high-quality outputs. The codes and pretrained models are released at https://github.com/VinAIResearch/DiMSUM.git.

Recent imitation learning policies, often framed as time series prediction tasks, directly map robotic observations-such as high-dimensional visual data and proprioception-into the action space. While time series prediction primarily relies on spatial domain modeling, the underutilization of frequency domain analysis in robotic manipulation trajectory prediction may lead to neglecting the inherent temporal information embedded within action sequences. To address this, we reframe imitation learning policies through the lens of the frequency domain and introduce the Wavelet Policy. This novel approach employs wavelet transforms (WT) for feature preprocessing and extracts multi-scale features from the frequency domain using the SE2MD (Single Encoder to Multiple Decoder) architecture. Furthermore, to enhance feature mapping in the frequency domain and increase model capacity, we introduce a Learnable Frequency-Domain Filter (LFDF) after each frequency decoder, improving adaptability under different visual conditions. Our results show that the Wavelet Policy outperforms state-of-the-art (SOTA) end-to-end methods by over 10% on four challenging robotic arm tasks, while maintaining a comparable parameter count. In long-range settings, its performance declines more slowly as task volume increases. The source code is available at https://github.com/lurenjia384/Wavelet_Policy.

Transformers have emerged as a preferred model for many tasks in natural langugage processing and vision. Recent efforts on training and deploying Transformers more efficiently have identified many strategies to approximate the self-attention matrix, a key module in a Transformer architecture. Effective ideas include various prespecified sparsity patterns, low-rank basis expansions and combinations thereof. In this paper, we revisit classical Multiresolution Analysis (MRA) concepts such as Wavelets, whose potential value in this setting remains underexplored thus far. We show that simple approximations based on empirical feedback and design choices informed by modern hardware and implementation challenges, eventually yield a MRA-based approach for self-attention with an excellent performance profile across most criteria of interest. We undertake an extensive set of experiments and demonstrate that this multi-resolution scheme outperforms most efficient self-attention proposals and is favorable for both short and long sequences. Code is available at https://github.com/mlpen/mra-attention.

Neural networks have shown remarkable performance in computer vision, but their deployment in numerous scientific and technical fields is challenging due to their black-box nature. Scientists and practitioners need to evaluate the reliability of a decision, i.e., to know simultaneously if a model relies on the relevant features and whether these features are robust to image corruptions. Existing attribution methods aim to provide human-understandable explanations by highlighting important regions in the image domain, but fail to fully characterize a decision process's reliability. To bridge this gap, we introduce the Wavelet sCale Attribution Method (WCAM), a generalization of attribution from the pixel domain to the space-scale domain using wavelet transforms. Attribution in the wavelet domain reveals where {\it and} on what scales the model focuses, thus enabling us to assess whether a decision is reliable.

We propose a neural network for both forward and inverse continuous nonlinear Fourier transforms, NFT and INFT respectively. We demonstrate the network's capability to perform NFT and INFT for a random mix of NFDM-QAM signals. The network transformations (NFT and INFT) exhibit true characteristics of these transformations; they are significantly different for low and high-power input pulses. The network shows adequate accuracy with an RMSE of 5e-3 for forward and 3e-2 for inverse transforms. We further show that the trained network can be used to perform general nonlinear Fourier transforms on arbitrary pulses beyond the training pulse types.

Spectral analysis provides one of the most effective paradigms for information-preserving dimensionality reduction, as simple descriptions of naturally occurring signals are often obtained via few terms of periodic basis functions. In this work, we study deep neural networks designed to harness the structure in frequency domain for efficient learning of long-range correlations in space or time: frequency-domain models (FDMs). Existing FDMs are based on complex-valued transforms i.e. Fourier Transforms (FT), and layers that perform computation on the spectrum and input data separately. This design introduces considerable computational overhead: for each layer, a forward and inverse FT. Instead, this work introduces a blueprint for frequency domain learning through a single transform: transform once (T1). To enable efficient, direct learning in the frequency domain we derive a variance-preserving weight initialization scheme and investigate methods for frequency selection in reduced-order FDMs. Our results noticeably streamline the design process of FDMs, pruning redundant transforms, and leading to speedups of 3x to 10x that increase with data resolution and model size. We perform extensive experiments on learning the solution operator of spatio-temporal dynamics, including incompressible Navier-Stokes, turbulent flows around airfoils and high-resolution video of smoke. T1 models improve on the test performance of FDMs while requiring significantly less computation (5 hours instead of 32 for our large-scale experiment), with over 20% reduction in average predictive error across tasks.

Although certain vision transformer (ViT) and CNN architectures generalize well on vision tasks, it is often impractical to use them on green, edge, or desktop computing due to their computational requirements for training and even testing. We present WaveMix as an alternative neural architecture that uses a multi-scale 2D discrete wavelet transform (DWT) for spatial token mixing. Unlike ViTs, WaveMix neither unrolls the image nor requires self-attention of quadratic complexity. Additionally, DWT introduces another inductive bias -- besides convolutional filtering -- to utilize the 2D structure of an image to improve generalization. The multi-scale nature of the DWT also reduces the requirement for a deeper architecture compared to the CNNs, as the latter relies on pooling for partial spatial mixing. WaveMix models show generalization that is competitive with ViTs, CNNs, and token mixers on several datasets while requiring lower GPU RAM (training and testing), number of computations, and storage. WaveMix have achieved State-of-the-art (SOTA) results in EMNIST Byclass and EMNIST Balanced datasets.

Advances in latent diffusion models (LDMs) have revolutionized high-resolution image generation, but the design space of the autoencoder that is central to these systems remains underexplored. In this paper, we introduce LiteVAE, a family of autoencoders for LDMs that leverage the 2D discrete wavelet transform to enhance scalability and computational efficiency over standard variational autoencoders (VAEs) with no sacrifice in output quality. We also investigate the training methodologies and the decoder architecture of LiteVAE and propose several enhancements that improve the training dynamics and reconstruction quality. Our base LiteVAE model matches the quality of the established VAEs in current LDMs with a six-fold reduction in encoder parameters, leading to faster training and lower GPU memory requirements, while our larger model outperforms VAEs of comparable complexity across all evaluated metrics (rFID, LPIPS, PSNR, and SSIM).

Diffusion models are rising as a powerful solution for high-fidelity image generation, which exceeds GANs in quality in many circumstances. However, their slow training and inference speed is a huge bottleneck, blocking them from being used in real-time applications. A recent DiffusionGAN method significantly decreases the models' running time by reducing the number of sampling steps from thousands to several, but their speeds still largely lag behind the GAN counterparts. This paper aims to reduce the speed gap by proposing a novel wavelet-based diffusion scheme. We extract low-and-high frequency components from both image and feature levels via wavelet decomposition and adaptively handle these components for faster processing while maintaining good generation quality. Furthermore, we propose to use a reconstruction term, which effectively boosts the model training convergence. Experimental results on CelebA-HQ, CIFAR-10, LSUN-Church, and STL-10 datasets prove our solution is a stepping-stone to offering real-time and high-fidelity diffusion models. Our code and pre-trained checkpoints are available at https://github.com/VinAIResearch/WaveDiff.git.

Efficiently capturing the long-range patterns in sequential data sources salient to a given task -- such as classification and generative modeling -- poses a fundamental challenge. Popular approaches in the space tradeoff between the memory burden of brute-force enumeration and comparison, as in transformers, the computational burden of complicated sequential dependencies, as in recurrent neural networks, or the parameter burden of convolutional networks with many or large filters. We instead take inspiration from wavelet-based multiresolution analysis to define a new building block for sequence modeling, which we call a MultiresLayer. The key component of our model is the multiresolution convolution, capturing multiscale trends in the input sequence. Our MultiresConv can be implemented with shared filters across a dilated causal convolution tree. Thus it garners the computational advantages of convolutional networks and the principled theoretical motivation of wavelet decompositions. Our MultiresLayer is straightforward to implement, requires significantly fewer parameters, and maintains at most a O(Nlog N) memory footprint for a length N sequence. Yet, by stacking such layers, our model yields state-of-the-art performance on a number of sequence classification and autoregressive density estimation tasks using CIFAR-10, ListOps, and PTB-XL datasets.

Contemporary lossy image and video coding standards rely on transform coding, the process through which pixels are mapped to an alternative representation to facilitate efficient data compression. Despite impressive performance of end-to-end optimized compression with deep neural networks, the high computational and space demands of these models has prevented them from superseding the relatively simple transform coding found in conventional video codecs. In this study, we propose learned transforms and entropy coding that may either serve as (non)linear drop-in replacements, or enhancements for linear transforms in existing codecs. These transforms can be multi-rate, allowing a single model to operate along the entire rate-distortion curve. To demonstrate the utility of our framework, we augmented the DCT with learned quantization matrices and adaptive entropy coding to compress intra-frame AV1 block prediction residuals. We report substantial BD-rate and perceptual quality improvements over more complex nonlinear transforms at a fraction of the computational cost.

Recent style transfer models have provided promising artistic results. However, given a photograph as a reference style, existing methods are limited by spatial distortions or unrealistic artifacts, which should not happen in real photographs. We introduce a theoretically sound correction to the network architecture that remarkably enhances photorealism and faithfully transfers the style. The key ingredient of our method is wavelet transforms that naturally fits in deep networks. We propose a wavelet corrected transfer based on whitening and coloring transforms (WCT^2) that allows features to preserve their structural information and statistical properties of VGG feature space during stylization. This is the first and the only end-to-end model that can stylize a 1024times1024 resolution image in 4.7 seconds, giving a pleasing and photorealistic quality without any post-processing. Last but not least, our model provides a stable video stylization without temporal constraints. Our code, generated images, and pre-trained models are all available at https://github.com/ClovaAI/WCT2.

Modern retrieval system often requires recomputing the representation of every piece of data in the gallery when updating to a better representation model. This process is known as backfilling and can be especially costly in the real world where the gallery often contains billions of samples. Recently, researchers have proposed the idea of Backward Compatible Training (BCT) where the new representation model can be trained with an auxiliary loss to make it backward compatible with the old representation. In this way, the new representation can be directly compared with the old representation, in principle avoiding the need for any backfilling. However, followup work shows that there is an inherent tradeoff where a backward compatible representation model cannot simultaneously maintain the performance of the new model itself. This paper reports our ``not-so-surprising'' finding that adding extra dimensions to the representation can help here. However, we also found that naively increasing the dimension of the representation did not work. To deal with this, we propose Backward-compatible Training with a novel Basis Transformation (BT^2). A basis transformation (BT) is basically a learnable set of parameters that applies an orthonormal transformation. Such a transformation possesses an important property whereby the original information contained in its input is retained in its output. We show in this paper how a BT can be utilized to add only the necessary amount of additional dimensions. We empirically verify the advantage of BT^2 over other state-of-the-art methods in a wide range of settings. We then further extend BT^2 to other challenging yet more practical settings, including significant change in model architecture (CNN to Transformers), modality change, and even a series of updates in the model architecture mimicking the evolution of deep learning models.

Low-rank adaptation~(LoRA) has recently gained much interest in fine-tuning foundation models. It effectively reduces the number of trainable parameters by incorporating low-rank matrices A and B to represent the weight change, i.e., Delta W=BA. Despite LoRA's progress, it faces storage challenges when handling extensive customization adaptations or larger base models. In this work, we aim to further compress trainable parameters by enjoying the powerful expressiveness of the Fourier transform. Specifically, we introduce FourierFT, which treats Delta W as a matrix in the spatial domain and learns only a small fraction of its spectral coefficients. With the trained spectral coefficients, we implement the inverse discrete Fourier transform to recover Delta W. Empirically, our FourierFT method shows comparable or better performance with fewer parameters than LoRA on various tasks, including natural language understanding, natural language generation, instruction tuning, and image classification. For example, when performing instruction tuning on the LLaMA2-7B model, FourierFT surpasses LoRA with only 0.064M trainable parameters, compared to LoRA's 33.5M. Our code is released at https://github.com/Chaos96/fourierft.

Due to the three-dimensional nature of CT- or MR-scans, generative modeling of medical images is a particularly challenging task. Existing approaches mostly apply patch-wise, slice-wise, or cascaded generation techniques to fit the high-dimensional data into the limited GPU memory. However, these approaches may introduce artifacts and potentially restrict the model's applicability for certain downstream tasks. This work presents WDM, a wavelet-based medical image synthesis framework that applies a diffusion model on wavelet decomposed images. The presented approach is a simple yet effective way of scaling diffusion models to high resolutions and can be trained on a single 40 GB GPU. Experimental results on BraTS and LIDC-IDRI unconditional image generation at a resolution of 128 times 128 times 128 show state-of-the-art image fidelity (FID) and sample diversity (MS-SSIM) scores compared to GANs, Diffusion Models, and Latent Diffusion Models. Our proposed method is the only one capable of generating high-quality images at a resolution of 256 times 256 times 256.

Adaptive sparse coding methods learn a possibly overcomplete set of basis functions, such that natural image patches can be reconstructed by linearly combining a small subset of these bases. The applicability of these methods to visual object recognition tasks has been limited because of the prohibitive cost of the optimization algorithms required to compute the sparse representation. In this work we propose a simple and efficient algorithm to learn basis functions. After training, this model also provides a fast and smooth approximator to the optimal representation, achieving even better accuracy than exact sparse coding algorithms on visual object recognition tasks.

Despite the recent visually-pleasing results achieved, the massive computational cost has been a long-standing flaw for diffusion probabilistic models (DPMs), which, in turn, greatly limits their applications on resource-limited platforms. Prior methods towards efficient DPM, however, have largely focused on accelerating the testing yet overlooked their huge complexity and sizes. In this paper, we make a dedicated attempt to lighten DPM while striving to preserve its favourable performance. We start by training a small-sized latent diffusion model (LDM) from scratch, but observe a significant fidelity drop in the synthetic images. Through a thorough assessment, we find that DPM is intrinsically biased against high-frequency generation, and learns to recover different frequency components at different time-steps. These properties make compact networks unable to represent frequency dynamics with accurate high-frequency estimation. Towards this end, we introduce a customized design for slim DPM, which we term as Spectral Diffusion (SD), for light-weight image synthesis. SD incorporates wavelet gating in its architecture to enable frequency dynamic feature extraction at every reverse steps, and conducts spectrum-aware distillation to promote high-frequency recovery by inverse weighting the objective based on spectrum magni tudes. Experimental results demonstrate that, SD achieves 8-18x computational complexity reduction as compared to the latent diffusion models on a series of conditional and unconditional image generation tasks while retaining competitive image fidelity.

We propose a learnable content adaptive front end for audio signal processing. Before the modern advent of deep learning, we used fixed representation non-learnable front-ends like spectrogram or mel-spectrogram with/without neural architectures. With convolutional architectures supporting various applications such as ASR and acoustic scene understanding, a shift to a learnable front ends occurred in which both the type of basis functions and the weight were learned from scratch and optimized for the particular task of interest. With the shift to transformer-based architectures with no convolutional blocks present, a linear layer projects small waveform patches onto a small latent dimension before feeding them to a transformer architecture. In this work, we propose a way of computing a content-adaptive learnable time-frequency representation. We pass each audio signal through a bank of convolutional filters, each giving a fixed-dimensional vector. It is akin to learning a bank of finite impulse-response filterbanks and passing the input signal through the optimum filter bank depending on the content of the input signal. A content-adaptive learnable time-frequency representation may be more broadly applicable, beyond the experiments in this paper.

We propose the use of low bit-depth Sigma-Delta and distributed noise-shaping methods for quantizing the Random Fourier features (RFFs) associated with shift-invariant kernels. We prove that our quantized RFFs -- even in the case of 1-bit quantization -- allow a high accuracy approximation of the underlying kernels, and the approximation error decays at least polynomially fast as the dimension of the RFFs increases. We also show that the quantized RFFs can be further compressed, yielding an excellent trade-off between memory use and accuracy. Namely, the approximation error now decays exponentially as a function of the bits used. Moreover, we empirically show by testing the performance of our methods on several machine learning tasks that our method compares favorably to other state of the art quantization methods in this context.

There is a growing gap between the impressive results of deep image generative models and classical algorithms that offer theoretical guarantees. The former suffer from mode collapse or memorization issues, limiting their application to scientific data. The latter require restrictive assumptions such as log-concavity to escape the curse of dimensionality. We partially bridge this gap by introducing conditionally strongly log-concave (CSLC) models, which factorize the data distribution into a product of conditional probability distributions that are strongly log-concave. This factorization is obtained with orthogonal projectors adapted to the data distribution. It leads to efficient parameter estimation and sampling algorithms, with theoretical guarantees, although the data distribution is not globally log-concave. We show that several challenging multiscale processes are conditionally log-concave using wavelet packet orthogonal projectors. Numerical results are shown for physical fields such as the varphi^4 model and weak lensing convergence maps with higher resolution than in previous works.

We propose WaveMix -- a novel neural architecture for computer vision that is resource-efficient yet generalizable and scalable. WaveMix networks achieve comparable or better accuracy than the state-of-the-art convolutional neural networks, vision transformers, and token mixers for several tasks, establishing new benchmarks for segmentation on Cityscapes; and for classification on Places-365, five EMNIST datasets, and iNAT-mini. Remarkably, WaveMix architectures require fewer parameters to achieve these benchmarks compared to the previous state-of-the-art. Moreover, when controlled for the number of parameters, WaveMix requires lesser GPU RAM, which translates to savings in time, cost, and energy. To achieve these gains we used multi-level two-dimensional discrete wavelet transform (2D-DWT) in WaveMix blocks, which has the following advantages: (1) It reorganizes spatial information based on three strong image priors -- scale-invariance, shift-invariance, and sparseness of edges, (2) in a lossless manner without adding parameters, (3) while also reducing the spatial sizes of feature maps, which reduces the memory and time required for forward and backward passes, and (4) expanding the receptive field faster than convolutions do. The whole architecture is a stack of self-similar and resolution-preserving WaveMix blocks, which allows architectural flexibility for various tasks and levels of resource availability. Our code and trained models are publicly available.

Symmetry learning has proven to be an effective approach for extracting the hidden structure of data, with the concept of equivariance relation playing the central role. However, most of the current studies are built on architectural theory and corresponding assumptions on the form of data. We propose Neural Fourier Transform (NFT), a general framework of learning the latent linear action of the group without assuming explicit knowledge of how the group acts on data. We present the theoretical foundations of NFT and show that the existence of a linear equivariant feature, which has been assumed ubiquitously in equivariance learning, is equivalent to the existence of a group invariant kernel on the dataspace. We also provide experimental results to demonstrate the application of NFT in typical scenarios with varying levels of knowledge about the acting group.

With the onset of large-scale astronomical surveys capturing millions of images, there is an increasing need to develop fast and accurate deconvolution algorithms that generalize well to different images. A powerful and accessible deconvolution method would allow for the reconstruction of a cleaner estimation of the sky. The deconvolved images would be helpful to perform photometric measurements to help make progress in the fields of galaxy formation and evolution. We propose a new deconvolution method based on the Learnlet transform. Eventually, we investigate and compare the performance of different Unet architectures and Learnlet for image deconvolution in the astrophysical domain by following a two-step approach: a Tikhonov deconvolution with a closed-form solution, followed by post-processing with a neural network. To generate our training dataset, we extract HST cutouts from the CANDELS survey in the F606W filter (V-band) and corrupt these images to simulate their blurred-noisy versions. Our numerical results based on these simulations show a detailed comparison between the considered methods for different noise levels.

Self-supervised representation learning is heavily dependent on data augmentations to specify the invariances encoded in representations. Previous work has shown that applying diverse data augmentations is crucial to downstream performance, but augmentation techniques remain under-explored. In this work, we propose a new family of local transformations based on Gaussian random fields to generate image augmentations for self-supervised representation learning. These transformations generalize the well-established affine and color transformations (translation, rotation, color jitter, etc.) and greatly increase the space of augmentations by allowing transformation parameter values to vary from pixel to pixel. The parameters are treated as continuous functions of spatial coordinates, and modeled as independent Gaussian random fields. Empirical results show the effectiveness of the new transformations for self-supervised representation learning. Specifically, we achieve a 1.7% top-1 accuracy improvement over baseline on ImageNet downstream classification, and a 3.6% improvement on out-of-distribution iNaturalist downstream classification. However, due to the flexibility of the new transformations, learned representations are sensitive to hyperparameters. While mild transformations improve representations, we observe that strong transformations can degrade the structure of an image, indicating that balancing the diversity and strength of augmentations is important for improving generalization of learned representations.

Implicit neural representations (INRs) have arisen as useful methods for representing signals on Euclidean domains. By parameterizing an image as a multilayer perceptron (MLP) on Euclidean space, INRs effectively represent signals in a way that couples spatial and spectral features of the signal that is not obvious in the usual discrete representation, paving the way for continuous signal processing and machine learning approaches that were not previously possible. Although INRs using sinusoidal activation functions have been studied in terms of Fourier theory, recent works have shown the advantage of using wavelets instead of sinusoids as activation functions, due to their ability to simultaneously localize in both frequency and space. In this work, we approach such INRs and demonstrate how they resolve high-frequency features of signals from coarse approximations done in the first layer of the MLP. This leads to multiple prescriptions for the design of INR architectures, including the use of complex wavelets, decoupling of low and band-pass approximations, and initialization schemes based on the singularities of the desired signal.

Time series classification (TSC) on multivariate time series is a critical problem. We propose a novel multi-view approach integrating frequency-domain and time-domain features to provide complementary contexts for TSC. Our method fuses continuous wavelet transform spectral features with temporal convolutional or multilayer perceptron features. We leverage the Mamba state space model for efficient and scalable sequence modeling. We also introduce a novel tango scanning scheme to better model sequence relationships. Experiments on 10 standard benchmark datasets demonstrate our approach achieves an average 6.45% accuracy improvement over state-of-the-art TSC models.

Source separation involves the ill-posed problem of retrieving a set of source signals that have been observed through a mixing operator. Solving this problem requires prior knowledge, which is commonly incorporated by imposing regularity conditions on the source signals, or implicitly learned through supervised or unsupervised methods from existing data. While data-driven methods have shown great promise in source separation, they often require large amounts of data, which rarely exists in planetary space missions. To address this challenge, we propose an unsupervised source separation scheme for domains with limited data access that involves solving an optimization problem in the wavelet scattering covariance representation spacex2014an interpretable, low-dimensional representation of stationary processes. We present a real-data example in which we remove transient, thermally-induced microtiltsx2014known as glitchesx2014from data recorded by a seismometer during NASA's InSight mission on Mars. Thanks to the wavelet scattering covariances' ability to capture non-Gaussian properties of stochastic processes, we are able to separate glitches using only a few glitch-free data snippets.

Unsupervised learning of probabilistic models is a central yet challenging problem in machine learning. Specifically, designing models with tractable learning, sampling, inference and evaluation is crucial in solving this task. We extend the space of such models using real-valued non-volume preserving (real NVP) transformations, a set of powerful invertible and learnable transformations, resulting in an unsupervised learning algorithm with exact log-likelihood computation, exact sampling, exact inference of latent variables, and an interpretable latent space. We demonstrate its ability to model natural images on four datasets through sampling, log-likelihood evaluation and latent variable manipulations.

We introduce a parametric nonlinear transformation that is well-suited for Gaussianizing data from natural images. The data are linearly transformed, and each component is then normalized by a pooled activity measure, computed by exponentiating a weighted sum of rectified and exponentiated components and a constant. We optimize the parameters of the full transformation (linear transform, exponents, weights, constant) over a database of natural images, directly minimizing the negentropy of the responses. The optimized transformation substantially Gaussianizes the data, achieving a significantly smaller mutual information between transformed components than alternative methods including ICA and radial Gaussianization. The transformation is differentiable and can be efficiently inverted, and thus induces a density model on images. We show that samples of this model are visually similar to samples of natural image patches. We demonstrate the use of the model as a prior probability density that can be used to remove additive noise. Finally, we show that the transformation can be cascaded, with each layer optimized using the same Gaussianization objective, thus offering an unsupervised method of optimizing a deep network architecture.

Whitening loss offers a theoretical guarantee against feature collapse in self-supervised learning (SSL) with joint embedding architectures. Typically, it involves a hard whitening approach, transforming the embedding and applying loss to the whitened output. In this work, we introduce Spectral Transformation (ST), a framework to modulate the spectrum of embedding and to seek for functions beyond whitening that can avoid dimensional collapse. We show that whitening is a special instance of ST by definition, and our empirical investigations unveil other ST instances capable of preventing collapse. Additionally, we propose a novel ST instance named IterNorm with trace loss (INTL). Theoretical analysis confirms INTL's efficacy in preventing collapse and modulating the spectrum of embedding toward equal-eigenvalues during optimization. Our experiments on ImageNet classification and COCO object detection demonstrate INTL's potential in learning superior representations. The code is available at https://github.com/winci-ai/INTL.

In this work we introduce KERNELIZED TRANSFORMER, a generic, scalable, data driven framework for learning the kernel function in Transformers. Our framework approximates the Transformer kernel as a dot product between spectral feature maps and learns the kernel by learning the spectral distribution. This not only helps in learning a generic kernel end-to-end, but also reduces the time and space complexity of Transformers from quadratic to linear. We show that KERNELIZED TRANSFORMERS achieve performance comparable to existing efficient Transformer architectures, both in terms of accuracy as well as computational efficiency. Our study also demonstrates that the choice of the kernel has a substantial impact on performance, and kernel learning variants are competitive alternatives to fixed kernel Transformers, both in long as well as short sequence tasks.

Recent research on time-series self-supervised models shows great promise in learning semantic representations. However, it has been limited to small-scale datasets, e.g., thousands of temporal sequences. In this work, we make key technical contributions that are tailored to the numerical properties of time-series data and allow the model to scale to large datasets, e.g., millions of temporal sequences. We adopt the Transformer architecture by first partitioning the input into non-overlapping windows. Each window is then characterized by its normalized shape and two scalar values denoting the mean and standard deviation within each window. To embed scalar values that may possess arbitrary numerical scales to high-dimensional vectors, we propose a numerically multi-scaled embedding module enumerating all possible scales for the scalar values. The model undergoes pretraining using the proposed numerically multi-scaled embedding with a simple contrastive objective on a large-scale dataset containing over a million sequences. We study its transfer performance on a number of univariate and multivariate classification benchmarks. Our method exhibits remarkable improvement against previous representation learning approaches and establishes the new state of the art, even compared with domain-specific non-learning-based methods.

Implicitly defined, continuous, differentiable signal representations parameterized by neural networks have emerged as a powerful paradigm, offering many possible benefits over conventional representations. However, current network architectures for such implicit neural representations are incapable of modeling signals with fine detail, and fail to represent a signal's spatial and temporal derivatives, despite the fact that these are essential to many physical signals defined implicitly as the solution to partial differential equations. We propose to leverage periodic activation functions for implicit neural representations and demonstrate that these networks, dubbed sinusoidal representation networks or Sirens, are ideally suited for representing complex natural signals and their derivatives. We analyze Siren activation statistics to propose a principled initialization scheme and demonstrate the representation of images, wavefields, video, sound, and their derivatives. Further, we show how Sirens can be leveraged to solve challenging boundary value problems, such as particular Eikonal equations (yielding signed distance functions), the Poisson equation, and the Helmholtz and wave equations. Lastly, we combine Sirens with hypernetworks to learn priors over the space of Siren functions.

Machine learning for differential equations paves the way for computationally efficient alternatives to numerical solvers, with potentially broad impacts in science and engineering. Though current algorithms typically require simulated training data tailored to a given setting, one may instead wish to learn useful information from heterogeneous sources, or from real dynamical systems observations that are messy or incomplete. In this work, we learn general-purpose representations of PDEs from heterogeneous data by implementing joint embedding methods for self-supervised learning (SSL), a framework for unsupervised representation learning that has had notable success in computer vision. Our representation outperforms baseline approaches to invariant tasks, such as regressing the coefficients of a PDE, while also improving the time-stepping performance of neural solvers. We hope that our proposed methodology will prove useful in the eventual development of general-purpose foundation models for PDEs.

As the Chinese stock market continues to evolve and its market structure grows increasingly complex, traditional quantitative trading methods are facing escalating challenges. Particularly, due to policy uncertainty and the frequent market fluctuations triggered by sudden economic events, existing models often struggle to accurately predict market dynamics. To address these challenges, this paper introduces Stockformer, a price-volume factor stock selection model that integrates wavelet transformation and a multitask self-attention network, aimed at enhancing responsiveness and predictive accuracy regarding market instabilities. Through discrete wavelet transform, Stockformer decomposes stock returns into high and low frequencies, meticulously capturing long-term market trends and short-term fluctuations, including abrupt events. Moreover, the model incorporates a Dual-Frequency Spatiotemporal Encoder and graph embedding techniques to effectively capture complex temporal and spatial relationships among stocks. Employing a multitask learning strategy, it simultaneously predicts stock returns and directional trends. Experimental results show that Stockformer outperforms existing advanced methods on multiple real stock market datasets. In strategy backtesting, Stockformer consistently demonstrates exceptional stability and reliability across market conditions-whether rising, falling, or fluctuating-particularly maintaining high performance during downturns or volatile periods, indicating a high adaptability to market fluctuations. To foster innovation and collaboration in the financial analysis sector, the Stockformer model's code has been open-sourced and is available on the GitHub repository: https://github.com/Eric991005/Multitask-Stockformer.

Modern sensors produce increasingly rich streams of high-resolution data. Due to resource constraints, machine learning systems discard the vast majority of this information via resolution reduction. Compressed-domain learning allows models to operate on compact latent representations, allowing higher effective resolution for the same budget. However, existing compression systems are not ideal for compressed learning. Linear transform coding and end-to-end learned compression systems reduce bitrate, but do not uniformly reduce dimensionality; thus, they do not meaningfully increase efficiency. Generative autoencoders reduce dimensionality, but their adversarial or perceptual objectives lead to significant information loss. To address these limitations, we introduce WaLLoC (Wavelet Learned Lossy Compression), a neural codec architecture that combines linear transform coding with nonlinear dimensionality-reducing autoencoders. WaLLoC sandwiches a shallow, asymmetric autoencoder and entropy bottleneck between an invertible wavelet packet transform. Across several key metrics, WaLLoC outperforms the autoencoders used in state-of-the-art latent diffusion models. WaLLoC does not require perceptual or adversarial losses to represent high-frequency detail, providing compatibility with modalities beyond RGB images and stereo audio. WaLLoC's encoder consists almost entirely of linear operations, making it exceptionally efficient and suitable for mobile computing, remote sensing, and learning directly from compressed data. We demonstrate WaLLoC's capability for compressed-domain learning across several tasks, including image classification, colorization, document understanding, and music source separation. Our code, experiments, and pre-trained audio and image codecs are available at https://ut-sysml.org/walloc

We present Neural Spectral Methods, a technique to solve parametric Partial Differential Equations (PDEs), grounded in classical spectral methods. Our method uses orthogonal bases to learn PDE solutions as mappings between spectral coefficients. In contrast to current machine learning approaches which enforce PDE constraints by minimizing the numerical quadrature of the residuals in the spatiotemporal domain, we leverage Parseval's identity and introduce a new training strategy through a spectral loss. Our spectral loss enables more efficient differentiation through the neural network, and substantially reduces training complexity. At inference time, the computational cost of our method remains constant, regardless of the spatiotemporal resolution of the domain. Our experimental results demonstrate that our method significantly outperforms previous machine learning approaches in terms of speed and accuracy by one to two orders of magnitude on multiple different problems. When compared to numerical solvers of the same accuracy, our method demonstrates a 10times increase in performance speed.

Physics-Informed Neural Networks (PINNs) have emerged as a promising deep learning framework for approximating numerical solutions to partial differential equations (PDEs). However, conventional PINNs, relying on multilayer perceptrons (MLP), neglect the crucial temporal dependencies inherent in practical physics systems and thus fail to propagate the initial condition constraints globally and accurately capture the true solutions under various scenarios. In this paper, we introduce a novel Transformer-based framework, termed PINNsFormer, designed to address this limitation. PINNsFormer can accurately approximate PDE solutions by utilizing multi-head attention mechanisms to capture temporal dependencies. PINNsFormer transforms point-wise inputs into pseudo sequences and replaces point-wise PINNs loss with a sequential loss. Additionally, it incorporates a novel activation function, Wavelet, which anticipates Fourier decomposition through deep neural networks. Empirical results demonstrate that PINNsFormer achieves superior generalization ability and accuracy across various scenarios, including PINNs failure modes and high-dimensional PDEs. Moreover, PINNsFormer offers flexibility in integrating existing learning schemes for PINNs, further enhancing its performance.

Unlabeled data is a key component of modern machine learning. In general, the role of unlabeled data is to impose a form of smoothness, usually from the similarity information encoded in a base kernel, such as the epsilon-neighbor kernel or the adjacency matrix of a graph. This work revisits the classical idea of spectrally transformed kernel regression (STKR), and provides a new class of general and scalable STKR estimators able to leverage unlabeled data. Intuitively, via spectral transformation, STKR exploits the data distribution for which unlabeled data can provide additional information. First, we show that STKR is a principled and general approach, by characterizing a universal type of "target smoothness", and proving that any sufficiently smooth function can be learned by STKR. Second, we provide scalable STKR implementations for the inductive setting and a general transformation function, while prior work is mostly limited to the transductive setting. Third, we derive statistical guarantees for two scenarios: STKR with a known polynomial transformation, and STKR with kernel PCA when the transformation is unknown. Overall, we believe that this work helps deepen our understanding of how to work with unlabeled data, and its generality makes it easier to inspire new methods.

Despite their widespread success, the application of deep neural networks to functional data remains scarce today. The infinite dimensionality of functional data means standard learning algorithms can be applied only after appropriate dimension reduction, typically achieved via basis expansions. Currently, these bases are chosen a priori without the information for the task at hand and thus may not be effective for the designated task. We instead propose to adaptively learn these bases in an end-to-end fashion. We introduce neural networks that employ a new Basis Layer whose hidden units are each basis functions themselves implemented as a micro neural network. Our architecture learns to apply parsimonious dimension reduction to functional inputs that focuses only on information relevant to the target rather than irrelevant variation in the input function. Across numerous classification/regression tasks with functional data, our method empirically outperforms other types of neural networks, and we prove that our approach is statistically consistent with low generalization error. Code is available at: https://github.com/jwyyy/AdaFNN.

In this work we propose for the first time a transformer-based framework for unsupervised representation learning of multivariate time series. Pre-trained models can be potentially used for downstream tasks such as regression and classification, forecasting and missing value imputation. By evaluating our models on several benchmark datasets for multivariate time series regression and classification, we show that not only does our modeling approach represent the most successful method employing unsupervised learning of multivariate time series presented to date, but also that it exceeds the current state-of-the-art performance of supervised methods; it does so even when the number of training samples is very limited, while offering computational efficiency. Finally, we demonstrate that unsupervised pre-training of our transformer models offers a substantial performance benefit over fully supervised learning, even without leveraging additional unlabeled data, i.e., by reusing the same data samples through the unsupervised objective.

Large-scale 3D generative models require substantial computational resources yet often fall short in capturing fine details and complex geometries at high resolutions. We attribute this limitation to the inefficiency of current representations, which lack the compactness required to model the generative models effectively. To address this, we introduce a novel approach called Wavelet Latent Diffusion, or WaLa, that encodes 3D shapes into wavelet-based, compact latent encodings. Specifically, we compress a 256^3 signed distance field into a 12^3 times 4 latent grid, achieving an impressive 2427x compression ratio with minimal loss of detail. This high level of compression allows our method to efficiently train large-scale generative networks without increasing the inference time. Our models, both conditional and unconditional, contain approximately one billion parameters and successfully generate high-quality 3D shapes at 256^3 resolution. Moreover, WaLa offers rapid inference, producing shapes within two to four seconds depending on the condition, despite the model's scale. We demonstrate state-of-the-art performance across multiple datasets, with significant improvements in generation quality, diversity, and computational efficiency. We open-source our code and, to the best of our knowledge, release the largest pretrained 3D generative models across different modalities.

Nowadays, with the rising number of sensors in sectors such as healthcare and industry, the problem of multivariate time series classification (MTSC) is getting increasingly relevant and is a prime target for machine and deep learning approaches. Their expanding adoption in real-world environments is causing a shift in focus from the pursuit of ever-higher prediction accuracy with complex models towards practical, deployable solutions that balance accuracy and parameters such as prediction speed. An MTSC model that has attracted attention recently is ROCKET, based on random convolutional kernels, both because of its very fast training process and its state-of-the-art accuracy. However, the large number of features it utilizes may be detrimental to inference time. Examining its theoretical background and limitations enables us to address potential drawbacks and present LightWaveS: a framework for accurate MTSC, which is fast both during training and inference. Specifically, utilizing wavelet scattering transformation and distributed feature selection, we manage to create a solution that employs just 2.5% of the ROCKET features, while achieving accuracy comparable to recent MTSC models. LightWaveS also scales well across multiple compute nodes and with the number of input channels during training. In addition, it can significantly reduce the input size and provide insight to an MTSC problem by keeping only the most useful channels. We present three versions of our algorithm and their results on distributed training time and scalability, accuracy, and inference speedup. We show that we achieve speedup ranging from 9x to 53x compared to ROCKET during inference on an edge device, on datasets with comparable accuracy.

Recently, universal waveform generation tasks have been investigated conditioned on various out-of-distribution scenarios. Although GAN-based methods have shown their strength in fast waveform generation, they are vulnerable to train-inference mismatch scenarios such as two-stage text-to-speech. Meanwhile, diffusion-based models have shown their powerful generative performance in other domains; however, they stay out of the limelight due to slow inference speed in waveform generation tasks. Above all, there is no generator architecture that can explicitly disentangle the natural periodic features of high-resolution waveform signals. In this paper, we propose PeriodWave, a novel universal waveform generation model. First, we introduce a period-aware flow matching estimator that can capture the periodic features of the waveform signal when estimating the vector fields. Additionally, we utilize a multi-period estimator that avoids overlaps to capture different periodic features of waveform signals. Although increasing the number of periods can improve the performance significantly, this requires more computational costs. To reduce this issue, we also propose a single period-conditional universal estimator that can feed-forward parallel by period-wise batch inference. Additionally, we utilize discrete wavelet transform to losslessly disentangle the frequency information of waveform signals for high-frequency modeling, and introduce FreeU to reduce the high-frequency noise for waveform generation. The experimental results demonstrated that our model outperforms the previous models both in Mel-spectrogram reconstruction and text-to-speech tasks. All source code will be available at https://github.com/sh-lee-prml/PeriodWave.

Masked time series modeling has recently gained much attention as a self-supervised representation learning strategy for time series. Inspired by masked image modeling in computer vision, recent works first patchify and partially mask out time series, and then train Transformers to capture the dependencies between patches by predicting masked patches from unmasked patches. However, we argue that capturing such patch dependencies might not be an optimal strategy for time series representation learning; rather, learning to embed patches independently results in better time series representations. Specifically, we propose to use 1) the simple patch reconstruction task, which autoencode each patch without looking at other patches, and 2) the simple patch-wise MLP that embeds each patch independently. In addition, we introduce complementary contrastive learning to hierarchically capture adjacent time series information efficiently. Our proposed method improves time series forecasting and classification performance compared to state-of-the-art Transformer-based models, while it is more efficient in terms of the number of parameters and training/inference time. Code is available at this repository: https://github.com/seunghan96/pits.

Image Super-Resolution is a fundamental problem in computer vision with broad applications spacing from medical imaging to satellite analysis. The ability to reconstruct high-resolution images from low-resolution inputs is crucial for enhancing downstream tasks such as object detection and segmentation. While deep learning has significantly advanced SR, achieving high-quality reconstructions with fine-grained details and realistic textures remains challenging, particularly at high upscaling factors. Recent approaches leveraging diffusion models have demonstrated promising results, yet they often struggle to balance perceptual quality with structural fidelity. In this work, we introduce ResQu a novel SR framework that integrates a quaternion wavelet preprocessing framework with latent diffusion models, incorporating a new quaternion wavelet- and time-aware encoder. Unlike prior methods that simply apply wavelet transforms within diffusion models, our approach enhances the conditioning process by exploiting quaternion wavelet embeddings, which are dynamically integrated at different stages of denoising. Furthermore, we also leverage the generative priors of foundation models such as Stable Diffusion. Extensive experiments on domain-specific datasets demonstrate that our method achieves outstanding SR results, outperforming in many cases existing approaches in perceptual quality and standard evaluation metrics. The code will be available after the revision process.

In this paper we explore the possibility of maximizing the information represented in spectrograms by making the spectrogram basis functions trainable. We experiment with two different tasks, namely keyword spotting (KWS) and automatic speech recognition (ASR). For most neural network models, the architecture and hyperparameters are typically fine-tuned and optimized in experiments. Input features, however, are often treated as fixed. In the case of audio, signals can be mainly expressed in two main ways: raw waveforms (time-domain) or spectrograms (time-frequency-domain). In addition, different spectrogram types are often used and tailored to fit different applications. In our experiments, we allow for this tailoring directly as part of the network. Our experimental results show that using trainable basis functions can boost the accuracy of Keyword Spotting (KWS) by 14.2 percentage points, and lower the Phone Error Rate (PER) by 9.5 percentage points. Although models using trainable basis functions become less effective as the model complexity increases, the trained filter shapes could still provide us with insights on which frequency bins are important for that specific task. From our experiments, we can conclude that trainable basis functions are a useful tool to boost the performance when the model complexity is limited.

Diffusion models have shown remarkable performance on many generative tasks. Despite recent success, most diffusion models are restricted in that they only allow linear transformation of the data distribution. In contrast, broader family of transformations can potentially help train generative distributions more efficiently, simplifying the reverse process and closing the gap between the true negative log-likelihood and the variational approximation. In this paper, we present Neural Diffusion Models (NDMs), a generalization of conventional diffusion models that enables defining and learning time-dependent non-linear transformations of data. We show how to optimise NDMs using a variational bound in a simulation-free setting. Moreover, we derive a time-continuous formulation of NDMs, which allows fast and reliable inference using off-the-shelf numerical ODE and SDE solvers. Finally, we demonstrate the utility of NDMs with learnable transformations through experiments on standard image generation benchmarks, including CIFAR-10, downsampled versions of ImageNet and CelebA-HQ. NDMs outperform conventional diffusion models in terms of likelihood and produce high-quality samples.

Conventional self-attention mechanisms incur quadratic complexity, limiting their scalability on long sequences. We introduce FFTNet, an adaptive spectral filtering framework that leverages the Fast Fourier Transform (FFT) to achieve global token mixing in O(nlog n) time. By transforming inputs into the frequency domain, FFTNet exploits the orthogonality and energy preservation guaranteed by Parseval's theorem to capture long-range dependencies efficiently. A learnable spectral filter and modReLU activation dynamically emphasize salient frequency components, providing a rigorous and adaptive alternative to traditional self-attention. Experiments on the Long Range Arena and ImageNet benchmarks validate our theoretical insights and demonstrate superior performance over fixed Fourier and standard attention models.

Learned image compression (LIC) has gained traction as an effective solution for image storage and transmission in recent years. However, existing LIC methods are redundant in latent representation due to limitations in capturing anisotropic frequency components and preserving directional details. To overcome these challenges, we propose a novel frequency-aware transformer (FAT) block that for the first time achieves multiscale directional ananlysis for LIC. The FAT block comprises frequency-decomposition window attention (FDWA) modules to capture multiscale and directional frequency components of natural images. Additionally, we introduce frequency-modulation feed-forward network (FMFFN) to adaptively modulate different frequency components, improving rate-distortion performance. Furthermore, we present a transformer-based channel-wise autoregressive (T-CA) model that effectively exploits channel dependencies. Experiments show that our method achieves state-of-the-art rate-distortion performance compared to existing LIC methods, and evidently outperforms latest standardized codec VTM-12.1 by 14.5%, 15.1%, 13.0% in BD-rate on the Kodak, Tecnick, and CLIC datasets.

Recent advancements in learned image compression (LIC) have yielded impressive performance gains. Notably, the learned image compression models with multi-reference entropy models (MLIC series) have significantly outperformed existing traditional image codecs such as the Versatile Video Coding (VVC) Intra. In this paper, we present MLICv2 and MLICv2^+, enhanced versions of the MLIC series, featuring improved transform techniques, entropy modeling, and instance adaptability. For better transform, we introduce a simple token mixing transform block inspired by the meta transformer architecture, addressing the performance degradation at high bit-rates observed in previous MLIC series while maintaining computational efficiency. To enhance entropy modeling, we propose a hyperprior-guided global correlation prediction, enabling the capture of global contexts in the initial slice of the latent representation. We also develop a channel reweighting module to dynamically prioritize important channels within each context. Additionally, advanced positional embedding for context modeling and selective compression with guided optimization are investigated. To boost instance adaptability, we employ stochastic Gumbel annealing to iteratively refine the latent representation according to the rate-distortion optimization of a specific input image. This approach further enhances performance without impacting decoding speed. Experimental results demonstrate that our MLICv2 and MLICv2^+ achieve state-of-the-art performance, reducing Bjontegaard-Delta rate (BD-rate) by 16.54%, 21.61%, 16.05% and 20.46%, 24.35%, 19.14% respectively, compared to VTM-17.0 Intra on the Kodak, Tecnick, CLIC Pro Val dataset, respectively.

Ridgelet transform has been a fundamental mathematical tool in the theoretical studies of neural networks. However, the practical applicability of ridgelet transform to conducting learning tasks was limited since its numerical implementation by conventional classical computation requires an exponential runtime exp(O(D)) as data dimension D increases. To address this problem, we develop a quantum ridgelet transform (QRT), which implements the ridgelet transform of a quantum state within a linear runtime O(D) of quantum computation. As an application, we also show that one can use QRT as a fundamental subroutine for quantum machine learning (QML) to efficiently find a sparse trainable subnetwork of large shallow wide neural networks without conducting large-scale optimization of the original network. This application discovers an efficient way in this regime to demonstrate the lottery ticket hypothesis on finding such a sparse trainable neural network. These results open an avenue of QML for accelerating learning tasks with commonly used classical neural networks.

This paper contributes to the "BraTS 2024 Brain MR Image Synthesis Challenge" and presents a conditional Wavelet Diffusion Model (cWDM) for directly solving a paired image-to-image translation task on high-resolution volumes. While deep learning-based brain tumor segmentation models have demonstrated clear clinical utility, they typically require MR scans from various modalities (T1, T1ce, T2, FLAIR) as input. However, due to time constraints or imaging artifacts, some of these modalities may be missing, hindering the application of well-performing segmentation algorithms in clinical routine. To address this issue, we propose a method that synthesizes one missing modality image conditioned on three available images, enabling the application of downstream segmentation models. We treat this paired image-to-image translation task as a conditional generation problem and solve it by combining a Wavelet Diffusion Model for high-resolution 3D image synthesis with a simple conditioning strategy. This approach allows us to directly apply our model to full-resolution volumes, avoiding artifacts caused by slice- or patch-wise data processing. While this work focuses on a specific application, the presented method can be applied to all kinds of paired image-to-image translation problems, such as CT leftrightarrow MR and MR leftrightarrow PET translation, or mask-conditioned anatomically guided image generation.

Convolutional Neural Networks define an exceptionally powerful class of models, but are still limited by the lack of ability to be spatially invariant to the input data in a computationally and parameter efficient manner. In this work we introduce a new learnable module, the Spatial Transformer, which explicitly allows the spatial manipulation of data within the network. This differentiable module can be inserted into existing convolutional architectures, giving neural networks the ability to actively spatially transform feature maps, conditional on the feature map itself, without any extra training supervision or modification to the optimisation process. We show that the use of spatial transformers results in models which learn invariance to translation, scale, rotation and more generic warping, resulting in state-of-the-art performance on several benchmarks, and for a number of classes of transformations.

We study neural image compression based on the Sparse Visual Representation (SVR), where images are embedded into a discrete latent space spanned by learned visual codebooks. By sharing codebooks with the decoder, the encoder transfers integer codeword indices that are efficient and cross-platform robust, and the decoder retrieves the embedded latent feature using the indices for reconstruction. Previous SVR-based compression lacks effective mechanism for rate-distortion tradeoffs, where one can only pursue either high reconstruction quality or low transmission bitrate. We propose a Masked Adaptive Codebook learning (M-AdaCode) method that applies masks to the latent feature subspace to balance bitrate and reconstruction quality. A set of semantic-class-dependent basis codebooks are learned, which are weighted combined to generate a rich latent feature for high-quality reconstruction. The combining weights are adaptively derived from each input image, providing fidelity information with additional transmission costs. By masking out unimportant weights in the encoder and recovering them in the decoder, we can trade off reconstruction quality for transmission bits, and the masking rate controls the balance between bitrate and distortion. Experiments over the standard JPEG-AI dataset demonstrate the effectiveness of our M-AdaCode approach.

We present CartoonX (Cartoon Explanation), a novel model-agnostic explanation method tailored towards image classifiers and based on the rate-distortion explanation (RDE) framework. Natural images are roughly piece-wise smooth signals -- also called cartoon-like images -- and tend to be sparse in the wavelet domain. CartoonX is the first explanation method to exploit this by requiring its explanations to be sparse in the wavelet domain, thus extracting the relevant piece-wise smooth part of an image instead of relevant pixel-sparse regions. We demonstrate that CartoonX can reveal novel valuable explanatory information, particularly for misclassifications. Moreover, we show that CartoonX achieves a lower distortion with fewer coefficients than other state-of-the-art methods.

In learned image compression, probabilistic models play an essential role in characterizing the distribution of latent variables. The Gaussian model with mean and scale parameters has been widely used for its simplicity and effectiveness. Probabilistic models with more parameters, such as the Gaussian mixture models, can fit the distribution of latent variables more precisely, but the corresponding complexity will also be higher. To balance between compression performance and complexity, we extend the Gaussian model to the generalized Gaussian model for more flexible latent distribution modeling, introducing only one additional shape parameter, beta, than the Gaussian model. To enhance the performance of the generalized Gaussian model by alleviating the train-test mismatch, we propose improved training methods, including beta-dependent lower bounds for scale parameters and gradient rectification. Our proposed generalized Gaussian model, coupled with the improved training methods, is demonstrated to outperform the Gaussian and Gaussian mixture models on a variety of learned image compression methods.

Despite extensive progress on image generation, common deep generative model architectures are not easily applied to lossless compression. For example, VAEs suffer from a compression cost overhead due to their latent variables. This overhead can only be partially eliminated with elaborate schemes such as bits-back coding, often resulting in poor single-sample compression rates. To overcome such problems, we establish a new class of tractable lossless compression models that permit efficient encoding and decoding: Probabilistic Circuits (PCs). These are a class of neural networks involving |p| computational units that support efficient marginalization over arbitrary subsets of the D feature dimensions, enabling efficient arithmetic coding. We derive efficient encoding and decoding schemes that both have time complexity O (log(D) cdot |p|), where a naive scheme would have linear costs in D and |p|, making the approach highly scalable. Empirically, our PC-based (de)compression algorithm runs 5-40 times faster than neural compression algorithms that achieve similar bitrates. By scaling up the traditional PC structure learning pipeline, we achieve state-of-the-art results on image datasets such as MNIST. Furthermore, PCs can be naturally integrated with existing neural compression algorithms to improve the performance of these base models on natural image datasets. Our results highlight the potential impact that non-standard learning architectures may have on neural data compression.

Large foundation models are becoming ubiquitous, but training them from scratch is prohibitively expensive. Thus, efficiently adapting these powerful models to downstream tasks is increasingly important. In this paper, we study a principled finetuning paradigm -- Orthogonal Finetuning (OFT) -- for downstream task adaptation. Despite demonstrating good generalizability, OFT still uses a fairly large number of trainable parameters due to the high dimensionality of orthogonal matrices. To address this, we start by examining OFT from an information transmission perspective, and then identify a few key desiderata that enable better parameter-efficiency. Inspired by how the Cooley-Tukey fast Fourier transform algorithm enables efficient information transmission, we propose an efficient orthogonal parameterization using butterfly structures. We apply this parameterization to OFT, creating a novel parameter-efficient finetuning method, called Orthogonal Butterfly (BOFT). By subsuming OFT as a special case, BOFT introduces a generalized orthogonal finetuning framework. Finally, we conduct an extensive empirical study of adapting large vision transformers, large language models, and text-to-image diffusion models to various downstream tasks in vision and language.

This work introduces the Efficient Transformed Gaussian Process (ETGP), a new way of creating C stochastic processes characterized by: 1) the C processes are non-stationary, 2) the C processes are dependent by construction without needing a mixing matrix, 3) training and making predictions is very efficient since the number of Gaussian Processes (GP) operations (e.g. inverting the inducing point's covariance matrix) do not depend on the number of processes. This makes the ETGP particularly suited for multi-class problems with a very large number of classes, which are the problems studied in this work. ETGPs exploit the recently proposed Transformed Gaussian Process (TGP), a stochastic process specified by transforming a Gaussian Process using an invertible transformation. However, unlike TGPs, ETGPs are constructed by transforming a single sample from a GP using C invertible transformations. We derive an efficient sparse variational inference algorithm for the proposed model and demonstrate its utility in 5 classification tasks which include low/medium/large datasets and a different number of classes, ranging from just a few to hundreds. Our results show that ETGPs, in general, outperform state-of-the-art methods for multi-class classification based on GPs, and have a lower computational cost (around one order of magnitude smaller).

We present a novel type of neural fields that uses general radial bases for signal representation. State-of-the-art neural fields typically rely on grid-based representations for storing local neural features and N-dimensional linear kernels for interpolating features at continuous query points. The spatial positions of their neural features are fixed on grid nodes and cannot well adapt to target signals. Our method instead builds upon general radial bases with flexible kernel position and shape, which have higher spatial adaptivity and can more closely fit target signals. To further improve the channel-wise capacity of radial basis functions, we propose to compose them with multi-frequency sinusoid functions. This technique extends a radial basis to multiple Fourier radial bases of different frequency bands without requiring extra parameters, facilitating the representation of details. Moreover, by marrying adaptive radial bases with grid-based ones, our hybrid combination inherits both adaptivity and interpolation smoothness. We carefully designed weighting schemes to let radial bases adapt to different types of signals effectively. Our experiments on 2D image and 3D signed distance field representation demonstrate the higher accuracy and compactness of our method than prior arts. When applied to neural radiance field reconstruction, our method achieves state-of-the-art rendering quality, with small model size and comparable training speed.

In this work, we study how well the learned weights of a neural network utilize the space available to them. This notion is related to capacity, but additionally incorporates the interaction of the network architecture with the dataset. Most learned weights appear to be full rank, and are therefore not amenable to low rank decomposition. This deceptively implies that the weights are utilizing the entire space available to them. We propose a simple data-driven transformation that projects the weights onto the subspace where the data and the weight interact. This preserves the functional mapping of the layer and reveals its low rank structure. In our findings, we conclude that most models utilize a fraction of the available space. For instance, for ViTB-16 and ViTL-16 trained on ImageNet, the mean layer utilization is 35% and 20% respectively. Our transformation results in reducing the parameters to 50% and 25% respectively, while resulting in less than 0.2% accuracy drop after fine-tuning. We also show that self-supervised pre-training drives this utilization up to 70%, justifying its suitability for downstream tasks.

The increasing scale of vision transformers (ViT) has made the efficient fine-tuning of these large models for specific needs a significant challenge in various applications. This issue originates from the computationally demanding matrix multiplications required during the backpropagation process through linear layers in ViT. In this paper, we tackle this problem by proposing a new Low-rank BackPropagation via Walsh-Hadamard Transformation (LBP-WHT) method. Intuitively, LBP-WHT projects the gradient into a low-rank space and carries out backpropagation. This approach substantially reduces the computation needed for adapting ViT, as matrix multiplication in the low-rank space is far less resource-intensive. We conduct extensive experiments with different models (ViT, hybrid convolution-ViT model) on multiple datasets to demonstrate the effectiveness of our method. For instance, when adapting an EfficientFormer-L1 model on CIFAR100, our LBP-WHT achieves 10.4% higher accuracy than the state-of-the-art baseline, while requiring 9 MFLOPs less computation. As the first work to accelerate ViT adaptation with low-rank backpropagation, our LBP-WHT method is complementary to many prior efforts and can be combined with them for better performance.

This paper proposes a new type of generative model that is able to quickly learn a latent representation without an encoder. This is achieved using empirical Bayes to calculate the expectation of the posterior, which is implemented by initialising a latent vector with zeros, then using the gradient of the log-likelihood of the data with respect to this zero vector as new latent points. The approach has similar characteristics to autoencoders, but with a simpler architecture, and is demonstrated in a variational autoencoder equivalent that permits sampling. This also allows implicit representation networks to learn a space of implicit functions without requiring a hypernetwork, retaining their representation advantages across datasets. The experiments show that the proposed method converges faster, with significantly lower reconstruction error than autoencoders, while requiring half the parameters.

A normalizing flow models a complex probability density as an invertible transformation of a simple base density. Flows based on either coupling or autoregressive transforms both offer exact density evaluation and sampling, but rely on the parameterization of an easily invertible elementwise transformation, whose choice determines the flexibility of these models. Building upon recent work, we propose a fully-differentiable module based on monotonic rational-quadratic splines, which enhances the flexibility of both coupling and autoregressive transforms while retaining analytic invertibility. We demonstrate that neural spline flows improve density estimation, variational inference, and generative modeling of images.

In this paper, we apply the self-attention from the state-of-the-art Transformer in Attention Is All You Need for the first time to a data-driven operator learning problem related to partial differential equations. An effort is put together to explain the heuristics of, and to improve the efficacy of the attention mechanism. By employing the operator approximation theory in Hilbert spaces, it is demonstrated for the first time that the softmax normalization in the scaled dot-product attention is sufficient but not necessary. Without softmax, the approximation capacity of a linearized Transformer variant can be proved to be comparable to a Petrov-Galerkin projection layer-wise, and the estimate is independent with respect to the sequence length. A new layer normalization scheme mimicking the Petrov-Galerkin projection is proposed to allow a scaling to propagate through attention layers, which helps the model achieve remarkable accuracy in operator learning tasks with unnormalized data. Finally, we present three operator learning experiments, including the viscid Burgers' equation, an interface Darcy flow, and an inverse interface coefficient identification problem. The newly proposed simple attention-based operator learner, Galerkin Transformer, shows significant improvements in both training cost and evaluation accuracy over its softmax-normalized counterparts.

Transformer models are deployed in a wide range of settings, from multi-accelerator clusters to standalone mobile phones. The diverse inference constraints in these scenarios necessitate practitioners to train foundation models such as PaLM 2, Llama, & ViTs as a series of models of varying sizes. Due to significant training costs, only a select few model sizes are trained and supported, limiting more fine-grained control over relevant tradeoffs, including latency, cost, and accuracy. This work introduces MatFormer, a nested Transformer architecture designed to offer elasticity in a variety of deployment constraints. Each Feed Forward Network (FFN) block of a MatFormer model is jointly optimized with a few nested smaller FFN blocks. This training procedure allows for the Mix'n'Match of model granularities across layers -- i.e., a trained universal MatFormer model enables extraction of hundreds of accurate smaller models, which were never explicitly optimized. We empirically demonstrate MatFormer's effectiveness across different model classes (decoders & encoders), modalities (language & vision), and scales (up to 2.6B parameters). We find that a 2.6B decoder-only MatFormer language model (MatLM) allows us to extract smaller models spanning from 1.5B to 2.6B, each exhibiting comparable validation loss and one-shot downstream evaluations to their independently trained counterparts. Furthermore, we observe that smaller encoders extracted from a universal MatFormer-based ViT (MatViT) encoder preserve the metric-space structure for adaptive large-scale retrieval. Finally, we showcase that speculative decoding with the accurate and consistent submodels extracted from MatFormer can further reduce inference latency.

Periodic signals play an important role in daily lives. Although conventional sequential models have shown remarkable success in various fields, they still come short in modeling periodicity; they either collapse, diverge or ignore details. In this paper, we introduce a novel framework inspired by Fourier series to generate periodic signals. We first decompose the given signals into multiple sines and cosines and then conditionally generate periodic signals with the output components. We have shown our model efficacy on three tasks: reconstruction, imputation and conditional generation. Our model outperforms baselines in all tasks and shows more stable and refined results.

Self-supervised learning has emerged as a highly effective approach in the fields of natural language processing and computer vision. It is also applicable to brain signals such as electroencephalography (EEG) data, given the abundance of available unlabeled data that exist in a wide spectrum of real-world medical applications ranging from seizure detection to wave analysis. The existing works leveraging self-supervised learning on EEG modeling mainly focus on pretraining upon each individual dataset corresponding to a single downstream task, which cannot leverage the power of abundant data, and they may derive sub-optimal solutions with a lack of generalization. Moreover, these methods rely on end-to-end model learning which is not easy for humans to understand. In this paper, we present a novel EEG foundation model, namely EEGFormer, pretrained on large-scale compound EEG data. The pretrained model cannot only learn universal representations on EEG signals with adaptable performance on various downstream tasks but also provide interpretable outcomes of the useful patterns within the data. To validate the effectiveness of our model, we extensively evaluate it on various downstream tasks and assess the performance under different transfer settings. Furthermore, we demonstrate how the learned model exhibits transferable anomaly detection performance and provides valuable interpretability of the acquired patterns via self-supervised learning.

As the field of representation learning grows, there has been a proliferation of different loss functions to solve different classes of problems. We introduce a single information-theoretic equation that generalizes a large collection of modern loss functions in machine learning. In particular, we introduce a framework that shows that several broad classes of machine learning methods are precisely minimizing an integrated KL divergence between two conditional distributions: the supervisory and learned representations. This viewpoint exposes a hidden information geometry underlying clustering, spectral methods, dimensionality reduction, contrastive learning, and supervised learning. This framework enables the development of new loss functions by combining successful techniques from across the literature. We not only present a wide array of proofs, connecting over 23 different approaches, but we also leverage these theoretical results to create state-of-the-art unsupervised image classifiers that achieve a +8% improvement over the prior state-of-the-art on unsupervised classification on ImageNet-1K. We also demonstrate that I-Con can be used to derive principled debiasing methods which improve contrastive representation learners.

A central problem in learning from sequential data is representing cumulative history in an incremental fashion as more data is processed. We introduce a general framework (HiPPO) for the online compression of continuous signals and discrete time series by projection onto polynomial bases. Given a measure that specifies the importance of each time step in the past, HiPPO produces an optimal solution to a natural online function approximation problem. As special cases, our framework yields a short derivation of the recent Legendre Memory Unit (LMU) from first principles, and generalizes the ubiquitous gating mechanism of recurrent neural networks such as GRUs. This formal framework yields a new memory update mechanism (HiPPO-LegS) that scales through time to remember all history, avoiding priors on the timescale. HiPPO-LegS enjoys the theoretical benefits of timescale robustness, fast updates, and bounded gradients. By incorporating the memory dynamics into recurrent neural networks, HiPPO RNNs can empirically capture complex temporal dependencies. On the benchmark permuted MNIST dataset, HiPPO-LegS sets a new state-of-the-art accuracy of 98.3%. Finally, on a novel trajectory classification task testing robustness to out-of-distribution timescales and missing data, HiPPO-LegS outperforms RNN and neural ODE baselines by 25-40% accuracy.

In this paper, we prove representation bottlenecks of a cascaded convolutional decoder network, considering the capacity of representing different frequency components of an input sample. We conduct the discrete Fourier transform on each channel of the feature map in an intermediate layer of the decoder network. Then, we introduce the rule of the forward propagation of such intermediate-layer spectrum maps, which is equivalent to the forward propagation of feature maps through a convolutional layer. Based on this, we find that each frequency component in the spectrum map is forward propagated independently with other frequency components. Furthermore, we prove two bottlenecks in representing feature spectrums. First, we prove that the convolution operation, the zero-padding operation, and a set of other settings all make a convolutional decoder network more likely to weaken high-frequency components. Second, we prove that the upsampling operation generates a feature spectrum, in which strong signals repetitively appears at certain frequencies.

We present a unified representation of the most popular neural network activation functions. Adopting Mittag-Leffler functions of fractional calculus, we propose a flexible and compact functional form that is able to interpolate between various activation functions and mitigate common problems in training neural networks such as vanishing and exploding gradients. The presented gated representation extends the scope of fixed-shape activation functions to their adaptive counterparts whose shape can be learnt from the training data. The derivatives of the proposed functional form can also be expressed in terms of Mittag-Leffler functions making it a suitable candidate for gradient-based backpropagation algorithms. By training multiple neural networks of different complexities on various datasets with different sizes, we demonstrate that adopting a unified gated representation of activation functions offers a promising and affordable alternative to individual built-in implementations of activation functions in conventional machine learning frameworks.

Vision Transformers have achieved great success in computer visions, delivering exceptional performance across various tasks. However, their inherent reliance on sequential input enforces the manual partitioning of images into patch sequences, which disrupts the image's inherent structural and semantic continuity. To handle this, we propose a novel Pattern Transformer (Patternformer) to adaptively convert images to pattern sequences for Transformer input. Specifically, we employ the Convolutional Neural Network to extract various patterns from the input image, with each channel representing a unique pattern that is fed into the succeeding Transformer as a visual token. By enabling the network to optimize these patterns, each pattern concentrates on its local region of interest, thereby preserving its intrinsic structural and semantic information. Only employing the vanilla ResNet and Transformer, we have accomplished state-of-the-art performance on CIFAR-10 and CIFAR-100, and have achieved competitive results on ImageNet.

Multivariate time series classification (MTSC) has attracted significant research attention due to its diverse real-world applications. Recently, exploiting transformers for MTSC has achieved state-of-the-art performance. However, existing methods focus on generic features, providing a comprehensive understanding of data, but they ignore class-specific features crucial for learning the representative characteristics of each class. This leads to poor performance in the case of imbalanced datasets or datasets with similar overall patterns but differing in minor class-specific details. In this paper, we propose a novel Shapelet Transformer (ShapeFormer), which comprises class-specific and generic transformer modules to capture both of these features. In the class-specific module, we introduce the discovery method to extract the discriminative subsequences of each class (i.e. shapelets) from the training set. We then propose a Shapelet Filter to learn the difference features between these shapelets and the input time series. We found that the difference feature for each shapelet contains important class-specific features, as it shows a significant distinction between its class and others. In the generic module, convolution filters are used to extract generic features that contain information to distinguish among all classes. For each module, we employ the transformer encoder to capture the correlation between their features. As a result, the combination of two transformer modules allows our model to exploit the power of both types of features, thereby enhancing the classification performance. Our experiments on 30 UEA MTSC datasets demonstrate that ShapeFormer has achieved the highest accuracy ranking compared to state-of-the-art methods. The code is available at https://github.com/xuanmay2701/shapeformer.

Simulating and controlling physical systems described by partial differential equations (PDEs) are crucial tasks across science and engineering. Recently, diffusion generative models have emerged as a competitive class of methods for these tasks due to their ability to capture long-term dependencies and model high-dimensional states. However, diffusion models typically struggle with handling system states with abrupt changes and generalizing to higher resolutions. In this work, we propose Wavelet Diffusion Neural Operator (WDNO), a novel PDE simulation and control framework that enhances the handling of these complexities. WDNO comprises two key innovations. Firstly, WDNO performs diffusion-based generative modeling in the wavelet domain for the entire trajectory to handle abrupt changes and long-term dependencies effectively. Secondly, to address the issue of poor generalization across different resolutions, which is one of the fundamental tasks in modeling physical systems, we introduce multi-resolution training. We validate WDNO on five physical systems, including 1D advection equation, three challenging physical systems with abrupt changes (1D Burgers' equation, 1D compressible Navier-Stokes equation and 2D incompressible fluid), and a real-world dataset ERA5, which demonstrates superior performance on both simulation and control tasks over state-of-the-art methods, with significant improvements in long-term and detail prediction accuracy. Remarkably, in the challenging context of the 2D high-dimensional and indirect control task aimed at reducing smoke leakage, WDNO reduces the leakage by 33.2% compared to the second-best baseline. The code can be found at https://github.com/AI4Science-WestlakeU/wdno.git.

While following different technical routes, both low-rank and orthogonal adaptation techniques can efficiently adapt large-scale pre-training models in specific tasks or domains based on a small piece of trainable parameters. In this study, we bridge the gap between these two techniques, proposing a simple but effective adaptation method based on Householder reflections. Given a pre-trained model, our method fine-tunes its layers by multiplying each frozen weight matrix with an orthogonal matrix constructed by a chain of learnable Householder reflections (HRs). This HR-based orthogonal fine-tuning is equivalent to an adaptive low-rank adaptation. Moreover, we show that the orthogonality of the reflection planes corresponding to the HRs impacts the model capacity and regularity. The analysis motivates us to regularize the orthogonality of the HRs, leading to different implementations of the proposed Householder reflection adaptation (HRA) method. Compared with state-of-the-art methods, HRA achieves superior performance with fewer learnable parameters when adapting large language models and conditional image generators. The code is available at https://github.com/DaShenZi721/HRA

The classical development of neural networks has primarily focused on learning mappings between finite dimensional Euclidean spaces or finite sets. We propose a generalization of neural networks to learn operators, termed neural operators, that map between infinite dimensional function spaces. We formulate the neural operator as a composition of linear integral operators and nonlinear activation functions. We prove a universal approximation theorem for our proposed neural operator, showing that it can approximate any given nonlinear continuous operator. The proposed neural operators are also discretization-invariant, i.e., they share the same model parameters among different discretization of the underlying function spaces. Furthermore, we introduce four classes of efficient parameterization, viz., graph neural operators, multi-pole graph neural operators, low-rank neural operators, and Fourier neural operators. An important application for neural operators is learning surrogate maps for the solution operators of partial differential equations (PDEs). We consider standard PDEs such as the Burgers, Darcy subsurface flow, and the Navier-Stokes equations, and show that the proposed neural operators have superior performance compared to existing machine learning based methodologies, while being several orders of magnitude faster than conventional PDE solvers.

Sequential models achieve state-of-the-art results in audio, visual and textual domains with respect to both estimating the data distribution and generating high-quality samples. Efficient sampling for this class of models has however remained an elusive problem. With a focus on text-to-speech synthesis, we describe a set of general techniques for reducing sampling time while maintaining high output quality. We first describe a single-layer recurrent neural network, the WaveRNN, with a dual softmax layer that matches the quality of the state-of-the-art WaveNet model. The compact form of the network makes it possible to generate 24kHz 16-bit audio 4x faster than real time on a GPU. Second, we apply a weight pruning technique to reduce the number of weights in the WaveRNN. We find that, for a constant number of parameters, large sparse networks perform better than small dense networks and this relationship holds for sparsity levels beyond 96%. The small number of weights in a Sparse WaveRNN makes it possible to sample high-fidelity audio on a mobile CPU in real time. Finally, we propose a new generation scheme based on subscaling that folds a long sequence into a batch of shorter sequences and allows one to generate multiple samples at once. The Subscale WaveRNN produces 16 samples per step without loss of quality and offers an orthogonal method for increasing sampling efficiency.

This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.

U-Net and its variants have been widely used in medical image segmentation. However, most current U-Net variants confine their improvement strategies to building more complex encoder, while leaving the decoder unchanged or adopting a simple symmetric structure. These approaches overlook the true functionality of the decoder: receiving low-resolution feature maps from the encoder and restoring feature map resolution and lost information through upsampling. As a result, the decoder, especially its upsampling component, plays a crucial role in enhancing segmentation outcomes. However, in 3D medical image segmentation, the commonly used transposed convolution can result in visual artifacts. This issue stems from the absence of direct relationship between adjacent pixels in the output feature map. Furthermore, plain encoder has already possessed sufficient feature extraction capability because downsampling operation leads to the gradual expansion of the receptive field, but the loss of information during downsampling process is unignorable. To address the gap in relevant research, we extend our focus beyond the encoder and introduce neU-Net (i.e., not complex encoder U-Net), which incorporates a novel Sub-pixel Convolution for upsampling to construct a powerful decoder. Additionally, we introduce multi-scale wavelet inputs module on the encoder side to provide additional information. Our model design achieves excellent results, surpassing other state-of-the-art methods on both the Synapse and ACDC datasets.

Implicit Neural Representations (INR) or neural fields have emerged as a popular framework to encode multimedia signals such as images and radiance fields while retaining high-quality. Recently, learnable feature grids proposed by Instant-NGP have allowed significant speed-up in the training as well as the sampling of INRs by replacing a large neural network with a multi-resolution look-up table of feature vectors and a much smaller neural network. However, these feature grids come at the expense of large memory consumption which can be a bottleneck for storage and streaming applications. In this work, we propose SHACIRA, a simple yet effective task-agnostic framework for compressing such feature grids with no additional post-hoc pruning/quantization stages. We reparameterize feature grids with quantized latent weights and apply entropy regularization in the latent space to achieve high levels of compression across various domains. Quantitative and qualitative results on diverse datasets consisting of images, videos, and radiance fields, show that our approach outperforms existing INR approaches without the need for any large datasets or domain-specific heuristics. Our project page is available at http://shacira.github.io .

Linear transformation of the inputs alters the training performance of feed-forward networks that are otherwise equivalent. However, most linear transforms are viewed as a pre-processing operation separate from the actual training. Starting from equivalent networks, it is shown that pre-processing inputs using linear transformation are equivalent to multiplying the negative gradient matrix with an autocorrelation matrix per training iteration. Second order method is proposed to find the autocorrelation matrix that maximizes learning in a given iteration. When the autocorrelation matrix is diagonal, the method optimizes input gains. This optimal input gain (OIG) approach is used to improve two first-order two-stage training algorithms, namely back-propagation (BP) and hidden weight optimization (HWO), which alternately update the input weights and solve linear equations for output weights. Results show that the proposed OIG approach greatly enhances the performance of the first-order algorithms, often allowing them to rival the popular Levenberg-Marquardt approach with far less computation. It is shown that HWO is equivalent to BP with Whitening transformation applied to the inputs. HWO effectively combines Whitening transformation with learning. Thus, OIG improved HWO could be a significant building block to more complex deep learning architectures.

The striking fractal geometry of strange attractors underscores the generative nature of chaos: like probability distributions, chaotic systems can be repeatedly measured to produce arbitrarily-detailed information about the underlying attractor. Chaotic systems thus pose a unique challenge to modern statistical learning techniques, while retaining quantifiable mathematical properties that make them controllable and interpretable as benchmarks. Here, we present a growing database currently comprising 131 known chaotic dynamical systems spanning fields such as astrophysics, climatology, and biochemistry. Each system is paired with precomputed multivariate and univariate time series. Our dataset has comparable scale to existing static time series databases; however, our systems can be re-integrated to produce additional datasets of arbitrary length and granularity. Our dataset is annotated with known mathematical properties of each system, and we perform feature analysis to broadly categorize the diverse dynamics present across the collection. Chaotic systems inherently challenge forecasting models, and across extensive benchmarks we correlate forecasting performance with the degree of chaos present. We also exploit the unique generative properties of our dataset in several proof-of-concept experiments: surrogate transfer learning to improve time series classification, importance sampling to accelerate model training, and benchmarking symbolic regression algorithms.

When training large flexible models, practitioners often rely on grid search to select hyperparameters that control over-fitting. This grid search has several disadvantages: the search is computationally expensive, requires carving out a validation set that reduces the available data for training, and requires users to specify candidate values. In this paper, we propose an alternative: directly learning regularization hyperparameters on the full training set via the evidence lower bound ("ELBo") objective from variational methods. For deep neural networks with millions of parameters, we recommend a modified ELBo that upweights the influence of the data likelihood relative to the prior. Our proposed technique overcomes all three disadvantages of grid search. In a case study on transfer learning of image classifiers, we show how our method reduces the 88+ hour grid search of past work to under 3 hours while delivering comparable accuracy. We further demonstrate how our approach enables efficient yet accurate approximations of Gaussian processes with learnable length-scale kernels.

Reconfigurable intelligent surfaces (RISs) have become one of the key technologies in 6G wireless communications. By configuring the reflection beamforming codebooks, RIS focuses signals on target receivers. In this paper, we investigate the codebook configuration for 1-bit RIS-aided systems. We propose a novel learning-based method built upon the advanced methodology of implicit neural representations. The proposed model learns a continuous and differentiable coordinate-to-codebook representation from samplings. Our method only requires the information of the user's coordinate and avoids the assumption of channel models. Moreover, we propose an encoding-decoding strategy to reduce the dimension of codebooks, and thus improve the learning efficiency of the proposed method. Experimental results on simulation and measured data demonstrated the remarkable advantages of the proposed method.

Neural Radiance Fields (NeRF) has achieved superior performance in novel view synthesis and 3D scene representation, but its practical applications are hindered by slow convergence and reliance on dense training views. To this end, we present DWTNeRF, a unified framework based on Instant-NGP's fast-training hash encoding. It is coupled with regularization terms designed for few-shot NeRF, which operates on sparse training views. Our DWTNeRF additionally includes a novel Discrete Wavelet loss that allows explicit prioritization of low frequencies directly in the training objective, reducing few-shot NeRF's overfitting on high frequencies in earlier training stages. We also introduce a model-based approach, based on multi-head attention, that is compatible with INGP, which are sensitive to architectural changes. On the 3-shot LLFF benchmark, DWTNeRF outperforms Vanilla INGP by 15.07% in PSNR, 24.45% in SSIM and 36.30% in LPIPS. Our approach encourages a re-thinking of current few-shot approaches for fast-converging implicit representations like INGP or 3DGS.

Convolutional networks are large linear systems divided into layers and connected by non-linear units. These units are the "articulations" that allow the network to adapt to the input. To understand how a network manages to solve a problem we must look at the articulated decisions in entirety. If we could capture the actions of non-linear units for a particular input, we would be able to replay the whole system back and forth as if it was always linear. It would also reveal the actions of non-linearities because the resulting linear system, a Linear Interpreter, depends on the input image. We introduce a hooking layer, called a LinearScope, which allows us to run the network and the linear interpreter in parallel. Its implementation is simple, flexible and efficient. From here we can make many curious inquiries: how do these linear systems look like? When the rows and columns of the transformation matrix are images, how do they look like? What type of basis do these linear transformations rely on? The answers depend on the problems presented, through which we take a tour to some popular architectures used for classification, super-resolution (SR) and image-to-image translation (I2I). For classification we observe that popular networks use a pixel-wise vote per class strategy and heavily rely on bias parameters. For SR and I2I we find that CNNs use wavelet-type basis similar to the human visual system. For I2I we reveal copy-move and template-creation strategies to generate outputs.

Learning physical simulations has been an essential and central aspect of many recent research efforts in machine learning, particularly for Navier-Stokes-based fluid mechanics. Classic numerical solvers have traditionally been computationally expensive and challenging to use in inverse problems, whereas Neural solvers aim to address both concerns through machine learning. We propose a general formulation for continuous convolutions using separable basis functions as a superset of existing methods and evaluate a large set of basis functions in the context of (a) a compressible 1D SPH simulation, (b) a weakly compressible 2D SPH simulation, and (c) an incompressible 2D SPH Simulation. We demonstrate that even and odd symmetries included in the basis functions are key aspects of stability and accuracy. Our broad evaluation shows that Fourier-based continuous convolutions outperform all other architectures regarding accuracy and generalization. Finally, using these Fourier-based networks, we show that prior inductive biases, such as window functions, are no longer necessary. An implementation of our approach, as well as complete datasets and solver implementations, is available at https://github.com/tum-pbs/SFBC.

In quantised autoencoders, images are usually split into local patches, each encoded by one token. This representation is redundant in the sense that the same number of tokens is spend per region, regardless of the visual information content in that region. Adaptive discretisation schemes like quadtrees are applied to allocate tokens for patches with varying sizes, but this just varies the region of influence for a token which nevertheless remains a local descriptor. Modern architectures add an attention mechanism to the autoencoder which infuses some degree of global information into the local tokens. Despite the global context, tokens are still associated with a local image region. In contrast, our method is inspired by spectral decompositions which transform an input signal into a superposition of global frequencies. Taking the data-driven perspective, we learn custom basis functions corresponding to the codebook entries in our VQ-VAE setup. Furthermore, a decoder combines these basis functions in a non-linear fashion, going beyond the simple linear superposition of spectral decompositions. We can achieve this global description with an efficient transpose operation between features and channels and demonstrate our performance on compression.

Deep convolutional neural networks have led to breakthrough results in numerous practical machine learning tasks such as classification of images in the ImageNet data set, control-policy-learning to play Atari games or the board game Go, and image captioning. Many of these applications first perform feature extraction and then feed the results thereof into a trainable classifier. The mathematical analysis of deep convolutional neural networks for feature extraction was initiated by Mallat, 2012. Specifically, Mallat considered so-called scattering networks based on a wavelet transform followed by the modulus non-linearity in each network layer, and proved translation invariance (asymptotically in the wavelet scale parameter) and deformation stability of the corresponding feature extractor. This paper complements Mallat's results by developing a theory that encompasses general convolutional transforms, or in more technical parlance, general semi-discrete frames (including Weyl-Heisenberg filters, curvelets, shearlets, ridgelets, wavelets, and learned filters), general Lipschitz-continuous non-linearities (e.g., rectified linear units, shifted logistic sigmoids, hyperbolic tangents, and modulus functions), and general Lipschitz-continuous pooling operators emulating, e.g., sub-sampling and averaging. In addition, all of these elements can be different in different network layers. For the resulting feature extractor we prove a translation invariance result of vertical nature in the sense of the features becoming progressively more translation-invariant with increasing network depth, and we establish deformation sensitivity bounds that apply to signal classes such as, e.g., band-limited functions, cartoon functions, and Lipschitz functions.

In recent years, there has been increasing interest in developing foundation models for time series data that can generalize across diverse downstream tasks. While numerous forecasting-oriented foundation models have been introduced, there is a notable scarcity of models tailored for time series classification. To address this gap, we present Mantis, a new open-source foundation model for time series classification based on the Vision Transformer (ViT) architecture that has been pre-trained using a contrastive learning approach. Our experimental results show that Mantis outperforms existing foundation models both when the backbone is frozen and when fine-tuned, while achieving the lowest calibration error. In addition, we propose several adapters to handle the multivariate setting, reducing memory requirements and modeling channel interdependence.

We establish a new theoretical framework for learning under multi-class, instance-dependent label noise. This framework casts learning with label noise as a form of domain adaptation, in particular, domain adaptation under posterior drift. We introduce the concept of relative signal strength (RSS), a pointwise measure that quantifies the transferability from noisy to clean posterior. Using RSS, we establish nearly matching upper and lower bounds on the excess risk. Our theoretical findings support the simple Noise Ignorant Empirical Risk Minimization (NI-ERM) principle, which minimizes empirical risk while ignoring label noise. Finally, we translate this theoretical insight into practice: by using NI-ERM to fit a linear classifier on top of a self-supervised feature extractor, we achieve state-of-the-art performance on the CIFAR-N data challenge.

Recent developments in Parameter-Efficient Fine-Tuning (PEFT) methods for pretrained deep neural networks have captured widespread interest. In this work, we study the enhancement of current PEFT methods by incorporating the spectral information of pretrained weight matrices into the fine-tuning procedure. We investigate two spectral adaptation mechanisms, namely additive tuning and orthogonal rotation of the top singular vectors, both are done via first carrying out Singular Value Decomposition (SVD) of pretrained weights and then fine-tuning the top spectral space. We provide a theoretical analysis of spectral fine-tuning and show that our approach improves the rank capacity of low-rank adapters given a fixed trainable parameter budget. We show through extensive experiments that the proposed fine-tuning model enables better parameter efficiency and tuning performance as well as benefits multi-adapter fusion. The code will be open-sourced for reproducibility.

Time-series forecasting is crucial for numerous real-world applications including weather prediction and financial market modeling. While temporal-domain methods remain prevalent, frequency-domain approaches can effectively capture multi-scale periodic patterns, reduce sequence dependencies, and naturally denoise signals. However, existing approaches typically train model components for all frequencies under a unified training objective, often leading to mismatched learning speeds: high-frequency components converge faster and risk overfitting, while low-frequency components underfit due to insufficient training time. To deal with this challenge, we propose BEAT (Balanced frEquency Adaptive Tuning), a novel framework that dynamically monitors the training status for each frequency and adaptively adjusts their gradient updates. By recognizing convergence, overfitting, or underfitting for each frequency, BEAT dynamically reallocates learning priorities, moderating gradients for rapid learners and increasing those for slower ones, alleviating the tension between competing objectives across frequencies and synchronizing the overall learning process. Extensive experiments on seven real-world datasets demonstrate that BEAT consistently outperforms state-of-the-art approaches.

Implicit neural representations (INRs) use neural networks to provide continuous and resolution-independent representations of complex signals with a small number of parameters. However, existing INR models often fail to capture important frequency components specific to each task. To address this issue, in this paper, we propose a Fourier Kolmogorov Arnold network (FKAN) for INRs. The proposed FKAN utilizes learnable activation functions modeled as Fourier series in the first layer to effectively control and learn the task-specific frequency components. In addition, the activation functions with learnable Fourier coefficients improve the ability of the network to capture complex patterns and details, which is beneficial for high-resolution and high-dimensional data. Experimental results show that our proposed FKAN model outperforms three state-of-the-art baseline schemes, and improves the peak signal-to-noise ratio (PSNR) and structural similarity index measure (SSIM) for the image representation task and intersection over union (IoU) for the 3D occupancy volume representation task, respectively.

Coordinate-based neural representations have shown significant promise as an alternative to discrete, array-based representations for complex low dimensional signals. However, optimizing a coordinate-based network from randomly initialized weights for each new signal is inefficient. We propose applying standard meta-learning algorithms to learn the initial weight parameters for these fully-connected networks based on the underlying class of signals being represented (e.g., images of faces or 3D models of chairs). Despite requiring only a minor change in implementation, using these learned initial weights enables faster convergence during optimization and can serve as a strong prior over the signal class being modeled, resulting in better generalization when only partial observations of a given signal are available. We explore these benefits across a variety of tasks, including representing 2D images, reconstructing CT scans, and recovering 3D shapes and scenes from 2D image observations.

We introduce a novel method for representation learning that uses an artificial supervision signal based on counting visual primitives. This supervision signal is obtained from an equivariance relation, which does not require any manual annotation. We relate transformations of images to transformations of the representations. More specifically, we look for the representation that satisfies such relation rather than the transformations that match a given representation. In this paper, we use two image transformations in the context of counting: scaling and tiling. The first transformation exploits the fact that the number of visual primitives should be invariant to scale. The second transformation allows us to equate the total number of visual primitives in each tile to that in the whole image. These two transformations are combined in one constraint and used to train a neural network with a contrastive loss. The proposed task produces representations that perform on par or exceed the state of the art in transfer learning benchmarks.

We present a neural network architecture designed to naturally learn a positional embedding and overcome the spectral bias towards lower frequencies faced by conventional implicit neural representation networks. Our proposed architecture, SPDER, is a simple MLP that uses an activation function composed of a sinusoidal multiplied by a sublinear function, called the damping function. The sinusoidal enables the network to automatically learn the positional embedding of an input coordinate while the damping passes on the actual coordinate value by preventing it from being projected down to within a finite range of values. Our results indicate that SPDERs speed up training by 10x and converge to losses 1,500-50,000x lower than that of the state-of-the-art for image representation. SPDER is also state-of-the-art in audio representation. The superior representation capability allows SPDER to also excel on multiple downstream tasks such as image super-resolution and video frame interpolation. We provide intuition as to why SPDER significantly improves fitting compared to that of other INR methods while requiring no hyperparameter tuning or preprocessing.

Unsupervised pretraining, which learns a useful representation using a large amount of unlabeled data to facilitate the learning of downstream tasks, is a critical component of modern large-scale machine learning systems. Despite its tremendous empirical success, the rigorous theoretical understanding of why unsupervised pretraining generally helps remains rather limited -- most existing results are restricted to particular methods or approaches for unsupervised pretraining with specialized structural assumptions. This paper studies a generic framework, where the unsupervised representation learning task is specified by an abstract class of latent variable models Phi and the downstream task is specified by a class of prediction functions Psi. We consider a natural approach of using Maximum Likelihood Estimation (MLE) for unsupervised pretraining and Empirical Risk Minimization (ERM) for learning downstream tasks. We prove that, under a mild ''informative'' condition, our algorithm achieves an excess risk of mathcal{O}(mathcal{C_Phi/m} + mathcal{C_Psi/n}) for downstream tasks, where C_Phi, C_Psi are complexity measures of function classes Phi, Psi, and m, n are the number of unlabeled and labeled data respectively. Comparing to the baseline of mathcal{O}(mathcal{C_{Phi circ Psi}/n}) achieved by performing supervised learning using only the labeled data, our result rigorously shows the benefit of unsupervised pretraining when m gg n and C_{Phicirc Psi} > C_Psi. This paper further shows that our generic framework covers a wide range of approaches for unsupervised pretraining, including factor models, Gaussian mixture models, and contrastive learning.

Implicit Neural Representation (INR), leveraging a neural network to transform coordinate input into corresponding attributes, has recently driven significant advances in several vision-related domains. However, the performance of INR is heavily influenced by the choice of the nonlinear activation function used in its multilayer perceptron (MLP) architecture. Multiple nonlinearities have been investigated; yet, current INRs face limitations in capturing high-frequency components, diverse signal types, and handling inverse problems. We have identified that these problems can be greatly alleviated by introducing a paradigm shift in INRs. We find that an architecture with learnable activations in initial layers can represent fine details in the underlying signals. Specifically, we propose SL^{2}A-INR, a hybrid network for INR with a single-layer learnable activation function, prompting the effectiveness of traditional ReLU-based MLPs. Our method performs superior across diverse tasks, including image representation, 3D shape reconstructions, inpainting, single image super-resolution, CT reconstruction, and novel view synthesis. Through comprehensive experiments, SL^{2}A-INR sets new benchmarks in accuracy, quality, and convergence rates for INR.

It is well noted that coordinate based MLPs benefit -- in terms of preserving high-frequency information -- through the encoding of coordinate positions as an array of Fourier features. Hitherto, the rationale for the effectiveness of these positional encodings has been solely studied through a Fourier lens. In this paper, we strive to broaden this understanding by showing that alternative non-Fourier embedding functions can indeed be used for positional encoding. Moreover, we show that their performance is entirely determined by a trade-off between the stable rank of the embedded matrix and the distance preservation between embedded coordinates. We further establish that the now ubiquitous Fourier feature mapping of position is a special case that fulfills these conditions. Consequently, we present a more general theory to analyze positional encoding in terms of shifted basis functions. To this end, we develop the necessary theoretical formulae and empirically verify that our theoretical claims hold in practice. Codes available at https://github.com/osiriszjq/Rethinking-positional-encoding.

We propose to replace vector quantization (VQ) in the latent representation of VQ-VAEs with a simple scheme termed finite scalar quantization (FSQ), where we project the VAE representation down to a few dimensions (typically less than 10). Each dimension is quantized to a small set of fixed values, leading to an (implicit) codebook given by the product of these sets. By appropriately choosing the number of dimensions and values each dimension can take, we obtain the same codebook size as in VQ. On top of such discrete representations, we can train the same models that have been trained on VQ-VAE representations. For example, autoregressive and masked transformer models for image generation, multimodal generation, and dense prediction computer vision tasks. Concretely, we employ FSQ with MaskGIT for image generation, and with UViM for depth estimation, colorization, and panoptic segmentation. Despite the much simpler design of FSQ, we obtain competitive performance in all these tasks. We emphasize that FSQ does not suffer from codebook collapse and does not need the complex machinery employed in VQ (commitment losses, codebook reseeding, code splitting, entropy penalties, etc.) to learn expressive discrete representations.

To achieve promising results on removing noise from real-world images, most of existing denoising networks are formulated with complex network structure, making them impractical for deployment. Some attempts focused on reducing the number of filters and feature channels but suffered from large performance loss, and a more practical and lightweight denoising network with fast inference speed is of high demand. To this end, a Thumbnail based Denoising Network dubbed Thunder, is proposed and implemented as a lightweight structure for fast restoration without comprising the denoising capabilities. Specifically, the Thunder model contains two newly-established modules: (1) a wavelet-based Thumbnail Subspace Encoder (TSE) which can leverage sub-bands correlation to provide an approximate thumbnail based on the low-frequent feature; (2) a Subspace Projection based Refine Module (SPR) which can restore the details for thumbnail progressively based on the subspace projection approach. Extensive experiments have been carried out on two real-world denoising benchmarks, demonstrating that the proposed Thunder outperforms the existing lightweight models and achieves competitive performance on PSNR and SSIM when compared with the complex designs.

The transformer model is known to be computationally demanding, and prohibitively costly for long sequences, as the self-attention module uses a quadratic time and space complexity with respect to sequence length. Many researchers have focused on designing new forms of self-attention or introducing new parameters to overcome this limitation, however a large portion of them prohibits the model to inherit weights from large pretrained models. In this work, the transformer's inefficiency has been taken care of from another perspective. We propose Fourier Transformer, a simple yet effective approach by progressively removing redundancies in hidden sequence using the ready-made Fast Fourier Transform (FFT) operator to perform Discrete Cosine Transformation (DCT). Fourier Transformer is able to significantly reduce computational costs while retain the ability to inherit from various large pretrained models. Experiments show that our model achieves state-of-the-art performances among all transformer-based models on the long-range modeling benchmark LRA with significant improvement in both speed and space. For generative seq-to-seq tasks including CNN/DailyMail and ELI5, by inheriting the BART weights our model outperforms the standard BART and other efficient models. Our code is publicly available at \url{https://github.com/LUMIA-Group/FourierTransformer}

Transformer has shown state-of-the-art performance on various applications and has recently emerged as a promising tool for surrogate modeling of partial differential equations (PDEs). Despite the introduction of linear-complexity variant, applying attention to a large number of grid points can result in instability and is still expensive to compute. In this work, we propose Factorized Transformer(FactFormer), which is based on an axial factorized kernel integral. Concretely, we introduce a learnable projection operator that decomposes the input function into multiple sub-functions with one-dimensional domain. These sub-functions are then evaluated and used to compute the instance-based kernel with an axial factorized scheme. We showcase that the proposed model is able to simulate 2D Kolmogorov flow on a 256 by 256 grid and 3D smoke buoyancy on a 64 by 64 by 64 grid with good accuracy and efficiency. In addition, we find out that with the factorization scheme, the attention matrices enjoy a more compact spectrum than full softmax-free attention matrices.

Invariance learning algorithms that conditionally filter out domain-specific random variables as distractors, do so based only on the data semantics, and not the target domain under evaluation. We show that a provably optimal and sample-efficient way of learning conditional invariances is by relaxing the invariance criterion to be non-commutatively directed towards the target domain. Under domain asymmetry, i.e., when the target domain contains semantically relevant information absent in the source, the risk of the encoder varphi^* that is optimal on average across domains is strictly lower-bounded by the risk of the target-specific optimal encoder Phi^*_tau. We prove that non-commutativity steers the optimization towards Phi^*_tau instead of varphi^*, bringing the H-divergence between domains down to zero, leading to a stricter bound on the target risk. Both our theory and experiments demonstrate that non-commutative invariance (NCI) can leverage source domain samples to meet the sample complexity needs of learning Phi^*_tau, surpassing SOTA invariance learning algorithms for domain adaptation, at times by over 2%, approaching the performance of an oracle. Implementation is available at https://github.com/abhrac/nci.

Deep neural networks (DNNs) trained for image denoising are able to generate high-quality samples with score-based reverse diffusion algorithms. These impressive capabilities seem to imply an escape from the curse of dimensionality, but recent reports of memorization of the training set raise the question of whether these networks are learning the "true" continuous density of the data. Here, we show that two DNNs trained on non-overlapping subsets of a dataset learn nearly the same score function, and thus the same density, when the number of training images is large enough. In this regime of strong generalization, diffusion-generated images are distinct from the training set, and are of high visual quality, suggesting that the inductive biases of the DNNs are well-aligned with the data density. We analyze the learned denoising functions and show that the inductive biases give rise to a shrinkage operation in a basis adapted to the underlying image. Examination of these bases reveals oscillating harmonic structures along contours and in homogeneous regions. We demonstrate that trained denoisers are inductively biased towards these geometry-adaptive harmonic bases since they arise not only when the network is trained on photographic images, but also when it is trained on image classes supported on low-dimensional manifolds for which the harmonic basis is suboptimal. Finally, we show that when trained on regular image classes for which the optimal basis is known to be geometry-adaptive and harmonic, the denoising performance of the networks is near-optimal.

We introduce the concept of scalable neural network kernels (SNNKs), the replacements of regular feedforward layers (FFLs), capable of approximating the latter, but with favorable computational properties. SNNKs effectively disentangle the inputs from the parameters of the neural network in the FFL, only to connect them in the final computation via the dot-product kernel. They are also strictly more expressive, as allowing to model complicated relationships beyond the functions of the dot-products of parameter-input vectors. We also introduce the neural network bundling process that applies SNNKs to compactify deep neural network architectures, resulting in additional compression gains. In its extreme version, it leads to the fully bundled network whose optimal parameters can be expressed via explicit formulae for several loss functions (e.g. mean squared error), opening a possibility to bypass backpropagation. As a by-product of our analysis, we introduce the mechanism of the universal random features (or URFs), applied to instantiate several SNNK variants, and interesting on its own in the context of scalable kernel methods. We provide rigorous theoretical analysis of all these concepts as well as an extensive empirical evaluation, ranging from point-wise kernel estimation to Transformers' fine-tuning with novel adapter layers inspired by SNNKs. Our mechanism provides up to 5x reduction in the number of trainable parameters, while maintaining competitive accuracy.

We address the computational challenges of solving parametric PDEs with non parametrized geometric variations and non-reducible problems, such as those involving shocks and discontinuities of variable positions. Traditional dimensionality reduction methods like POD struggle with these scenarios due to slowly decaying Kolmogorov widths. To overcome this, we propose a novel non-linear dimensionality reduction technique to reduce the required modes for representation. The non-linear reduction is obtained through a POD after applying a transformation on the fields, which we call optimal mappings, and is a solution to an optimization problem in infinite dimension. The proposed learning framework combines morphing techniques, non-linear dimensionality reduction, and Gaussian Process Regression (GPR). The problem is reformulated on a reference geometry before applying the dimensionality reduction. Our method learns both the optimal mapping, and the solution fields, using a series of GPR models, enabling efficient and accurate modeling of complex parametric PDEs with geometrical variability. The results obtained concur with current state-of-the-art models. We mainly compare our method with the winning solution of the ML4CFD NeurIPS 2024 competition.

This paper introduces WaveNet, a deep neural network for generating raw audio waveforms. The model is fully probabilistic and autoregressive, with the predictive distribution for each audio sample conditioned on all previous ones; nonetheless we show that it can be efficiently trained on data with tens of thousands of samples per second of audio. When applied to text-to-speech, it yields state-of-the-art performance, with human listeners rating it as significantly more natural sounding than the best parametric and concatenative systems for both English and Mandarin. A single WaveNet can capture the characteristics of many different speakers with equal fidelity, and can switch between them by conditioning on the speaker identity. When trained to model music, we find that it generates novel and often highly realistic musical fragments. We also show that it can be employed as a discriminative model, returning promising results for phoneme recognition.

In this paper, we propose a method to partially mimic natural intelligence for the problem of lifelong learning representations that are compatible. We take the perspective of a learning agent that is interested in recognizing object instances in an open dynamic universe in a way in which any update to its internal feature representation does not render the features in the gallery unusable for visual search. We refer to this learning problem as Compatible Lifelong Learning Representations (CL2R) as it considers compatible representation learning within the lifelong learning paradigm. We identify stationarity as the property that the feature representation is required to hold to achieve compatibility and propose a novel training procedure that encourages local and global stationarity on the learned representation. Due to stationarity, the statistical properties of the learned features do not change over time, making them interoperable with previously learned features. Extensive experiments on standard benchmark datasets show that our CL2R training procedure outperforms alternative baselines and state-of-the-art methods. We also provide novel metrics to specifically evaluate compatible representation learning under catastrophic forgetting in various sequential learning tasks. Code at https://github.com/NiccoBiondi/CompatibleLifelongRepresentation.

Recent advances in generative compression methods have demonstrated remarkable progress in enhancing the perceptual quality of compressed data, especially in scenarios with low bitrates. However, their efficacy and applicability to achieve extreme compression ratios (<0.05 bpp) remain constrained. In this work, we propose a simple yet effective coding framework by introducing vector quantization (VQ)--based generative models into the image compression domain. The main insight is that the codebook learned by the VQGAN model yields a strong expressive capacity, facilitating efficient compression of continuous information in the latent space while maintaining reconstruction quality. Specifically, an image can be represented as VQ-indices by finding the nearest codeword, which can be encoded using lossless compression methods into bitstreams. We propose clustering a pre-trained large-scale codebook into smaller codebooks through the K-means algorithm, yielding variable bitrates and different levels of reconstruction quality within the coding framework. Furthermore, we introduce a transformer to predict lost indices and restore images in unstable environments. Extensive qualitative and quantitative experiments on various benchmark datasets demonstrate that the proposed framework outperforms state-of-the-art codecs in terms of perceptual quality-oriented metrics and human perception at extremely low bitrates (le 0.04 bpp). Remarkably, even with the loss of up to 20% of indices, the images can be effectively restored with minimal perceptual loss.

Despite their many desirable properties, Gaussian processes (GPs) are often compared unfavorably to deep neural networks (NNs) for lacking the ability to learn representations. Recent efforts to bridge the gap between GPs and deep NNs have yielded a new class of inter-domain variational GPs in which the inducing variables correspond to hidden units of a feedforward NN. In this work, we examine some practical issues associated with this approach and propose an extension that leverages the orthogonal decomposition of GPs to mitigate these limitations. In particular, we introduce spherical inter-domain features to construct more flexible data-dependent basis functions for both the principal and orthogonal components of the GP approximation and show that incorporating NN activation features under this framework not only alleviates these shortcomings but is more scalable than alternative strategies. Experiments on multiple benchmark datasets demonstrate the effectiveness of our approach.

In this study, we propose Feature-aligned N-BEATS as a domain generalization model for univariate time series forecasting problems. The proposed model is an extension of the doubly residual stacking architecture of N-BEATS (Oreshkin et al. [34]) into a representation learning framework. The model is a new structure that involves marginal feature probability measures (i.e., pushforward measures of multiple source domains) induced by the intricate composition of residual operators of N-BEATS in each stack and aligns them stack-wise via an entropic regularized Wasserstein distance referred to as the Sinkhorn divergence (Genevay et al. [14]). The loss function consists of a typical forecasting loss for multiple source domains and an alignment loss calculated with the Sinkhorn divergence, which allows the model to learn invariant features stack-wise across multiple source data sequences while retaining N-BEATS's interpretable design. We conduct a comprehensive experimental evaluation of the proposed approach and the results demonstrate the model's forecasting and generalization capabilities in comparison with methods based on the original N-BEATS.

Chaotic dynamical systems (DS) are ubiquitous in nature and society. Often we are interested in reconstructing such systems from observed time series for prediction or mechanistic insight, where by reconstruction we mean learning geometrical and invariant temporal properties of the system in question (like attractors). However, training reconstruction algorithms like recurrent neural networks (RNNs) on such systems by gradient-descent based techniques faces severe challenges. This is mainly due to exploding gradients caused by the exponential divergence of trajectories in chaotic systems. Moreover, for (scientific) interpretability we wish to have as low dimensional reconstructions as possible, preferably in a model which is mathematically tractable. Here we report that a surprisingly simple modification of teacher forcing leads to provably strictly all-time bounded gradients in training on chaotic systems, and, when paired with a simple architectural rearrangement of a tractable RNN design, piecewise-linear RNNs (PLRNNs), allows for faithful reconstruction in spaces of at most the dimensionality of the observed system. We show on several DS that with these amendments we can reconstruct DS better than current SOTA algorithms, in much lower dimensions. Performance differences were particularly compelling on real world data with which most other methods severely struggled. This work thus led to a simple yet powerful DS reconstruction algorithm which is highly interpretable at the same time.

Vision Transformer (ViT) has emerged as a powerful architecture in the realm of modern computer vision. However, its application in certain imaging fields, such as microscopy and satellite imaging, presents unique challenges. In these domains, images often contain multiple channels, each carrying semantically distinct and independent information. Furthermore, the model must demonstrate robustness to sparsity in input channels, as they may not be densely available during training or testing. In this paper, we propose a modification to the ViT architecture that enhances reasoning across the input channels and introduce Hierarchical Channel Sampling (HCS) as an additional regularization technique to ensure robustness when only partial channels are presented during test time. Our proposed model, ChannelViT, constructs patch tokens independently from each input channel and utilizes a learnable channel embedding that is added to the patch tokens, similar to positional embeddings. We evaluate the performance of ChannelViT on ImageNet, JUMP-CP (microscopy cell imaging), and So2Sat (satellite imaging). Our results show that ChannelViT outperforms ViT on classification tasks and generalizes well, even when a subset of input channels is used during testing. Across our experiments, HCS proves to be a powerful regularizer, independent of the architecture employed, suggesting itself as a straightforward technique for robust ViT training. Lastly, we find that ChannelViT generalizes effectively even when there is limited access to all channels during training, highlighting its potential for multi-channel imaging under real-world conditions with sparse sensors. Our code is available at https://github.com/insitro/ChannelViT.

How can prior knowledge on the transformation invariances of a domain be incorporated into the architecture of a neural network? We propose Equivariant Transformers (ETs), a family of differentiable image-to-image mappings that improve the robustness of models towards pre-defined continuous transformation groups. Through the use of specially-derived canonical coordinate systems, ETs incorporate functions that are equivariant by construction with respect to these transformations. We show empirically that ETs can be flexibly composed to improve model robustness towards more complicated transformation groups in several parameters. On a real-world image classification task, ETs improve the sample efficiency of ResNet classifiers, achieving relative improvements in error rate of up to 15% in the limited data regime while increasing model parameter count by less than 1%.

Popular parameter-efficient fine-tuning (PEFT) methods, such as LoRA and its variants, freeze pre-trained model weights \(W\) and inject learnable matrices \(\Delta W\). These \(\Delta W\) matrices are structured for efficient parameterization, often using techniques like low-rank approximations or scaling vectors. However, these methods typically show a performance gap compared to full fine-tuning. Although recent PEFT methods have narrowed this gap, they do so at the cost of additional learnable parameters. We propose SVFT, a simple approach that fundamentally differs from existing methods: the structure imposed on \(\Delta W\) depends on the specific weight matrix \(W\). Specifically, SVFT updates \(W\) as a sparse combination of outer products of its singular vectors, training only the coefficients (scales) of these sparse combinations. This approach allows fine-grained control over expressivity through the number of coefficients. Extensive experiments on language and vision benchmarks show that SVFT recovers up to 96% of full fine-tuning performance while training only 0.006 to 0.25% of parameters, outperforming existing methods that only recover up to 85% performance using 0.03 to 0.8% of the trainable parameter budget.

Pre-trained foundation models (FMs) have shown exceptional performance in univariate time series forecasting tasks. However, several practical challenges persist, including managing intricate dependencies among features and quantifying uncertainty in predictions. This study aims to tackle these critical limitations by introducing adapters; feature-space transformations that facilitate the effective use of pre-trained univariate time series FMs for multivariate tasks. Adapters operate by projecting multivariate inputs into a suitable latent space and applying the FM independently to each dimension. Inspired by the literature on representation learning and partially stochastic Bayesian neural networks, we present a range of adapters and optimization/inference strategies. Experiments conducted on both synthetic and real-world datasets confirm the efficacy of adapters, demonstrating substantial enhancements in forecasting accuracy and uncertainty quantification compared to baseline methods. Our framework, AdaPTS, positions adapters as a modular, scalable, and effective solution for leveraging time series FMs in multivariate contexts, thereby promoting their wider adoption in real-world applications. We release the code at https://github.com/abenechehab/AdaPTS.

Diffusion models have been shown to be capable of generating high-quality images, suggesting that they could contain meaningful internal representations. Unfortunately, the feature maps that encode a diffusion model's internal information are spread not only over layers of the network, but also over diffusion timesteps, making it challenging to extract useful descriptors. We propose Diffusion Hyperfeatures, a framework for consolidating multi-scale and multi-timestep feature maps into per-pixel feature descriptors that can be used for downstream tasks. These descriptors can be extracted for both synthetic and real images using the generation and inversion processes. We evaluate the utility of our Diffusion Hyperfeatures on the task of semantic keypoint correspondence: our method achieves superior performance on the SPair-71k real image benchmark. We also demonstrate that our method is flexible and transferable: our feature aggregation network trained on the inversion features of real image pairs can be used on the generation features of synthetic image pairs with unseen objects and compositions. Our code is available at https://diffusion-hyperfeatures.github.io.

We present the Evolving Graph Fourier Transform (EFT), the first invertible spectral transform that captures evolving representations on temporal graphs. We motivate our work by the inadequacy of existing methods for capturing the evolving graph spectra, which are also computationally expensive due to the temporal aspect along with the graph vertex domain. We view the problem as an optimization over the Laplacian of the continuous time dynamic graph. Additionally, we propose pseudo-spectrum relaxations that decompose the transformation process, making it highly computationally efficient. The EFT method adeptly captures the evolving graph's structural and positional properties, making it effective for downstream tasks on evolving graphs. Hence, as a reference implementation, we develop a simple neural model induced with EFT for capturing evolving graph spectra. We empirically validate our theoretical findings on a number of large-scale and standard temporal graph benchmarks and demonstrate that our model achieves state-of-the-art performance.

Unsupervised learning with functional data is an emerging paradigm of machine learning research with applications to computer vision, climate modeling and physical systems. A natural way of modeling functional data is by learning operators between infinite dimensional spaces, leading to discretization invariant representations that scale independently of the sample grid resolution. Here we present Variational Autoencoding Neural Operators (VANO), a general strategy for making a large class of operator learning architectures act as variational autoencoders. For this purpose, we provide a novel rigorous mathematical formulation of the variational objective in function spaces for training. VANO first maps an input function to a distribution over a latent space using a parametric encoder and then decodes a sample from the latent distribution to reconstruct the input, as in classic variational autoencoders. We test VANO with different model set-ups and architecture choices for a variety of benchmarks. We start from a simple Gaussian random field where we can analytically track what the model learns and progressively transition to more challenging benchmarks including modeling phase separation in Cahn-Hilliard systems and real world satellite data for measuring Earth surface deformation.

Despite the tantalizing success in a broad of vision tasks, transformers have not yet demonstrated on-par ability as ConvNets in high-resolution image generative modeling. In this paper, we seek to explore using pure transformers to build a generative adversarial network for high-resolution image synthesis. To this end, we believe that local attention is crucial to strike the balance between computational efficiency and modeling capacity. Hence, the proposed generator adopts Swin transformer in a style-based architecture. To achieve a larger receptive field, we propose double attention which simultaneously leverages the context of the local and the shifted windows, leading to improved generation quality. Moreover, we show that offering the knowledge of the absolute position that has been lost in window-based transformers greatly benefits the generation quality. The proposed StyleSwin is scalable to high resolutions, with both the coarse geometry and fine structures benefit from the strong expressivity of transformers. However, blocking artifacts occur during high-resolution synthesis because performing the local attention in a block-wise manner may break the spatial coherency. To solve this, we empirically investigate various solutions, among which we find that employing a wavelet discriminator to examine the spectral discrepancy effectively suppresses the artifacts. Extensive experiments show the superiority over prior transformer-based GANs, especially on high resolutions, e.g., 1024x1024. The StyleSwin, without complex training strategies, excels over StyleGAN on CelebA-HQ 1024, and achieves on-par performance on FFHQ-1024, proving the promise of using transformers for high-resolution image generation. The code and models will be available at https://github.com/microsoft/StyleSwin.

Dimensionality reduction techniques are fundamental for analyzing and visualizing high-dimensional data. With established methods like t-SNE and PCA presenting a trade-off between representational power and interpretability. This paper introduces a novel approach that bridges this gap by combining the interpretability of linear methods with the expressiveness of non-linear transformations. The proposed algorithm constructs a non-linear mapping between high-dimensional and low-dimensional spaces through a combination of linear transformations, each weighted by Gaussian functions. This architecture enables complex non-linear transformations while preserving the interpretability advantages of linear methods, as each transformation can be analyzed independently. The resulting model provides both powerful dimensionality reduction and transparent insights into the transformed space. Techniques for interpreting the learned transformations are presented, including methods for identifying suppressed dimensions and how space is expanded and contracted. These tools enable practitioners to understand how the algorithm preserves and modifies geometric relationships during dimensionality reduction. To ensure the practical utility of this algorithm, the creation of user-friendly software packages is emphasized, facilitating its adoption in both academia and industry.

We study the ability of foundation models to learn representations for classification that are transferable to new, unseen classes. Recent results in the literature show that representations learned by a single classifier over many classes are competitive on few-shot learning problems with representations learned by special-purpose algorithms designed for such problems. In this paper we provide an explanation for this behavior based on the recently observed phenomenon that the features learned by overparameterized classification networks show an interesting clustering property, called neural collapse. We demonstrate both theoretically and empirically that neural collapse generalizes to new samples from the training classes, and -- more importantly -- to new classes as well, allowing foundation models to provide feature maps that work well in transfer learning and, specifically, in the few-shot setting.

While many unsupervised learning models focus on one family of tasks, either generative or discriminative, we explore the possibility of a unified representation learner: a model which uses a single pre-training stage to address both families of tasks simultaneously. We identify diffusion models as a prime candidate. Diffusion models have risen to prominence as a state-of-the-art method for image generation, denoising, inpainting, super-resolution, manipulation, etc. Such models involve training a U-Net to iteratively predict and remove noise, and the resulting model can synthesize high fidelity, diverse, novel images. The U-Net architecture, as a convolution-based architecture, generates a diverse set of feature representations in the form of intermediate feature maps. We present our findings that these embeddings are useful beyond the noise prediction task, as they contain discriminative information and can also be leveraged for classification. We explore optimal methods for extracting and using these embeddings for classification tasks, demonstrating promising results on the ImageNet classification task. We find that with careful feature selection and pooling, diffusion models outperform comparable generative-discriminative methods such as BigBiGAN for classification tasks. We investigate diffusion models in the transfer learning regime, examining their performance on several fine-grained visual classification datasets. We compare these embeddings to those generated by competing architectures and pre-trainings for classification tasks.

This paper presents the Large Wireless Model (LWM) -- the world's first foundation model for wireless channels. Designed as a task-agnostic model, LWM generates universal, rich, contextualized channel embeddings (features) that potentially enhance performance across a wide range of downstream tasks in wireless communication and sensing systems. Towards this objective, LWM, which has a transformer-based architecture, was pre-trained in a self-supervised manner on large-scale wireless channel datasets. Our results show consistent improvements in classification and regression tasks when using the LWM embeddings compared to raw channel representations, especially in scenarios with high-complexity machine learning tasks and limited training datasets. This LWM's ability to learn from large-scale wireless data opens a promising direction for intelligent systems that can efficiently adapt to diverse tasks with limited data, paving the way for addressing key challenges in wireless communication and sensing systems.

Existing neural audio codecs usually sacrifice computational complexity for audio quality. They build the feature transformation layers mainly on convolutional blocks, which are not inherently appropriate for capturing local redundancies of audio signals. As compensation, either adversarial losses from a discriminator or a large number of model parameters are required to improve the codec. To that end, we propose Efficient Speech Codec (ESC), a lightweight parameter-efficient codec laid on cross-scale residual vector quantization and transformers. Our model leverages mirrored hierarchical window-attention transformer blocks and performs step-wise decoding from coarse-to-fine feature representations. To enhance codebook utilization, we design a learning paradigm that involves a pre-training stage to assist with codec training. Extensive results show that ESC can achieve high audio quality with much lower complexity, which is a prospective alternative in place of existing codecs.

Blind face restoration is a highly ill-posed problem that often requires auxiliary guidance to 1) improve the mapping from degraded inputs to desired outputs, or 2) complement high-quality details lost in the inputs. In this paper, we demonstrate that a learned discrete codebook prior in a small proxy space largely reduces the uncertainty and ambiguity of restoration mapping by casting blind face restoration as a code prediction task, while providing rich visual atoms for generating high-quality faces. Under this paradigm, we propose a Transformer-based prediction network, named CodeFormer, to model the global composition and context of the low-quality faces for code prediction, enabling the discovery of natural faces that closely approximate the target faces even when the inputs are severely degraded. To enhance the adaptiveness for different degradation, we also propose a controllable feature transformation module that allows a flexible trade-off between fidelity and quality. Thanks to the expressive codebook prior and global modeling, CodeFormer outperforms the state of the arts in both quality and fidelity, showing superior robustness to degradation. Extensive experimental results on synthetic and real-world datasets verify the effectiveness of our method.

Contrastive learning has achieved remarkable success on various high-level tasks, but there are fewer contrastive learning-based methods proposed for low-level tasks. It is challenging to adopt vanilla contrastive learning technologies proposed for high-level visual tasks to low-level image restoration problems straightly. Because the acquired high-level global visual representations are insufficient for low-level tasks requiring rich texture and context information. In this paper, we investigate the contrastive learning-based single image super-resolution from two perspectives: positive and negative sample construction and feature embedding. The existing methods take naive sample construction approaches (e.g., considering the low-quality input as a negative sample and the ground truth as a positive sample) and adopt a prior model (e.g., pre-trained VGG model) to obtain the feature embedding. To this end, we propose a practical contrastive learning framework for SISR, named PCL-SR. We involve the generation of many informative positive and hard negative samples in frequency space. Instead of utilizing an additional pre-trained network, we design a simple but effective embedding network inherited from the discriminator network which is more task-friendly. Compared with existing benchmark methods, we re-train them by our proposed PCL-SR framework and achieve superior performance. Extensive experiments have been conducted to show the effectiveness and technical contributions of our proposed PCL-SR thorough ablation studies. The code and pre-trained models can be found at https://github.com/Aitical/PCL-SISR.

The acquisition of labels for supervised learning can be expensive. To improve the sample efficiency of neural network regression, we study active learning methods that adaptively select batches of unlabeled data for labeling. We present a framework for constructing such methods out of (network-dependent) base kernels, kernel transformations, and selection methods. Our framework encompasses many existing Bayesian methods based on Gaussian process approximations of neural networks as well as non-Bayesian methods. Additionally, we propose to replace the commonly used last-layer features with sketched finite-width neural tangent kernels and to combine them with a novel clustering method. To evaluate different methods, we introduce an open-source benchmark consisting of 15 large tabular regression data sets. Our proposed method outperforms the state-of-the-art on our benchmark, scales to large data sets, and works out-of-the-box without adjusting the network architecture or training code. We provide open-source code that includes efficient implementations of all kernels, kernel transformations, and selection methods, and can be used for reproducing our results.

It has been observed that representations learned by distinct neural networks conceal structural similarities when the models are trained under similar inductive biases. From a geometric perspective, identifying the classes of transformations and the related invariances that connect these representations is fundamental to unlocking applications, such as merging, stitching, and reusing different neural modules. However, estimating task-specific transformations a priori can be challenging and expensive due to several factors (e.g., weights initialization, training hyperparameters, or data modality). To this end, we introduce a versatile method to directly incorporate a set of invariances into the representations, constructing a product space of invariant components on top of the latent representations without requiring prior knowledge about the optimal invariance to infuse. We validate our solution on classification and reconstruction tasks, observing consistent latent similarity and downstream performance improvements in a zero-shot stitching setting. The experimental analysis comprises three modalities (vision, text, and graphs), twelve pretrained foundational models, nine benchmarks, and several architectures trained from scratch.

We propose an efficient design of Transformer-based models for multivariate time series forecasting and self-supervised representation learning. It is based on two key components: (i) segmentation of time series into subseries-level patches which are served as input tokens to Transformer; (ii) channel-independence where each channel contains a single univariate time series that shares the same embedding and Transformer weights across all the series. Patching design naturally has three-fold benefit: local semantic information is retained in the embedding; computation and memory usage of the attention maps are quadratically reduced given the same look-back window; and the model can attend longer history. Our channel-independent patch time series Transformer (PatchTST) can improve the long-term forecasting accuracy significantly when compared with that of SOTA Transformer-based models. We also apply our model to self-supervised pre-training tasks and attain excellent fine-tuning performance, which outperforms supervised training on large datasets. Transferring of masked pre-trained representation on one dataset to others also produces SOTA forecasting accuracy. Code is available at: https://github.com/yuqinie98/PatchTST.

We study the problem of imputing missing values in a dataset, which has important applications in many domains. The key to missing value imputation is to capture the data distribution with incomplete samples and impute the missing values accordingly. In this paper, by leveraging the fact that any two batches of data with missing values come from the same data distribution, we propose to impute the missing values of two batches of samples by transforming them into a latent space through deep invertible functions and matching them distributionally. To learn the transformations and impute the missing values simultaneously, a simple and well-motivated algorithm is proposed. Our algorithm has fewer hyperparameters to fine-tune and generates high-quality imputations regardless of how missing values are generated. Extensive experiments over a large number of datasets and competing benchmark algorithms show that our method achieves state-of-the-art performance.

As neural networks become deeper, the redundancy within their parameters increases. This phenomenon has led to several methods that attempt to reduce the correlation between convolutional filters. We propose a computationally efficient regularization technique that encourages orthonormality between groups of filters within the same layer. Our experiments show that when incorporated into recent adaptation methods for diffusion models and vision transformers (ViTs), this regularization improves performance on downstream tasks. We further show improved robustness when group orthogonality is enforced during adversarial training. Our code is available at https://github.com/YoavKurtz/GOR.

Image classifiers are known to be difficult to interpret and therefore require explanation methods to understand their decisions. We present ShearletX, a novel mask explanation method for image classifiers based on the shearlet transform -- a multiscale directional image representation. Current mask explanation methods are regularized by smoothness constraints that protect against undesirable fine-grained explanation artifacts. However, the smoothness of a mask limits its ability to separate fine-detail patterns, that are relevant for the classifier, from nearby nuisance patterns, that do not affect the classifier. ShearletX solves this problem by avoiding smoothness regularization all together, replacing it by shearlet sparsity constraints. The resulting explanations consist of a few edges, textures, and smooth parts of the original image, that are the most relevant for the decision of the classifier. To support our method, we propose a mathematical definition for explanation artifacts and an information theoretic score to evaluate the quality of mask explanations. We demonstrate the superiority of ShearletX over previous mask based explanation methods using these new metrics, and present exemplary situations where separating fine-detail patterns allows explaining phenomena that were not explainable before.

Video Variational Autoencoder (VAE) encodes videos into a low-dimensional latent space, becoming a key component of most Latent Video Diffusion Models (LVDMs) to reduce model training costs. However, as the resolution and duration of generated videos increase, the encoding cost of Video VAEs becomes a limiting bottleneck in training LVDMs. Moreover, the block-wise inference method adopted by most LVDMs can lead to discontinuities of latent space when processing long-duration videos. The key to addressing the computational bottleneck lies in decomposing videos into distinct components and efficiently encoding the critical information. Wavelet transform can decompose videos into multiple frequency-domain components and improve the efficiency significantly, we thus propose Wavelet Flow VAE (WF-VAE), an autoencoder that leverages multi-level wavelet transform to facilitate low-frequency energy flow into latent representation. Furthermore, we introduce a method called Causal Cache, which maintains the integrity of latent space during block-wise inference. Compared to state-of-the-art video VAEs, WF-VAE demonstrates superior performance in both PSNR and LPIPS metrics, achieving 2x higher throughput and 4x lower memory consumption while maintaining competitive reconstruction quality. Our code and models are available at https://github.com/PKU-YuanGroup/WF-VAE.

Pre-training has been investigated to improve the efficiency and performance of training neural operators in data-scarce settings. However, it is largely in its infancy due to the inherent complexity and diversity, such as long trajectories, multiple scales and varying dimensions of partial differential equations (PDEs) data. In this paper, we present a new auto-regressive denoising pre-training strategy, which allows for more stable and efficient pre-training on PDE data and generalizes to various downstream tasks. Moreover, by designing a flexible and scalable model architecture based on Fourier attention, we can easily scale up the model for large-scale pre-training. We train our PDE foundation model with up to 0.5B parameters on 10+ PDE datasets with more than 100k trajectories. Extensive experiments show that we achieve SOTA on these benchmarks and validate the strong generalizability of our model to significantly enhance performance on diverse downstream PDE tasks like 3D data. Code is available at https://github.com/thu-ml/DPOT.

Attentional mechanisms are order-invariant. Positional encoding is a crucial component to allow attention-based deep model architectures such as Transformer to address sequences or images where the position of information matters. In this paper, we propose a novel positional encoding method based on learnable Fourier features. Instead of hard-coding each position as a token or a vector, we represent each position, which can be multi-dimensional, as a trainable encoding based on learnable Fourier feature mapping, modulated with a multi-layer perceptron. The representation is particularly advantageous for a spatial multi-dimensional position, e.g., pixel positions on an image, where L_2 distances or more complex positional relationships need to be captured. Our experiments based on several public benchmark tasks show that our learnable Fourier feature representation for multi-dimensional positional encoding outperforms existing methods by both improving the accuracy and allowing faster convergence.

Continuous convolution has recently gained prominence due to its ability to handle irregularly sampled data and model long-term dependency. Also, the promising experimental results of using large convolutional kernels have catalyzed the development of continuous convolution since they can construct large kernels very efficiently. Leveraging neural networks, more specifically multilayer perceptrons (MLPs), is by far the most prevalent approach to implementing continuous convolution. However, there are a few drawbacks, such as high computational costs, complex hyperparameter tuning, and limited descriptive power of filters. This paper suggests an alternative approach to building a continuous convolution without neural networks, resulting in more computationally efficient and improved performance. We present self-moving point representations where weight parameters freely move, and interpolation schemes are used to implement continuous functions. When applied to construct convolutional kernels, the experimental results have shown improved performance with drop-in replacement in the existing frameworks. Due to its lightweight structure, we are first to demonstrate the effectiveness of continuous convolution in a large-scale setting, e.g., ImageNet, presenting the improvements over the prior arts. Our code is available on https://github.com/sangnekim/SMPConv

Machine learning models will often fail when deployed in an environment with a data distribution that is different than the training distribution. When multiple environments are available during training, many methods exist that learn representations which are invariant across the different distributions, with the hope that these representations will be transportable to unseen domains. In this work, we present a nonparametric strategy for learning invariant representations based on the recently-proposed Nadaraya-Watson (NW) head. The NW head makes a prediction by comparing the learned representations of the query to the elements of a support set that consists of labeled data. We demonstrate that by manipulating the support set, one can encode different causal assumptions. In particular, restricting the support set to a single environment encourages the model to learn invariant features that do not depend on the environment. We present a causally-motivated setup for our modeling and training strategy and validate on three challenging real-world domain generalization tasks in computer vision.

Due to the unsupervised nature of anomaly detection, the key to fueling deep models is finding supervisory signals. Different from current reconstruction-guided generative models and transformation-based contrastive models, we devise novel data-driven supervision for tabular data by introducing a characteristic -- scale -- as data labels. By representing varied sub-vectors of data instances, we define scale as the relationship between the dimensionality of original sub-vectors and that of representations. Scales serve as labels attached to transformed representations, thus offering ample labeled data for neural network training. This paper further proposes a scale learning-based anomaly detection method. Supervised by the learning objective of scale distribution alignment, our approach learns the ranking of representations converted from varied subspaces of each data instance. Through this proxy task, our approach models inherent regularities and patterns within data, which well describes data "normality". Abnormal degrees of testing instances are obtained by measuring whether they fit these learned patterns. Extensive experiments show that our approach leads to significant improvement over state-of-the-art generative/contrastive anomaly detection methods.

To adapt a well-trained large model to downstream tasks, we propose constraining learning within its original latent space by leveraging linear combinations of its basis vectors. This approach ensures stable training without compromising the model's capabilities. Traditionally, constructing orthonormal bases from a matrix requires a transfer matrix, which significantly increases storage and computational overhead for parameters and feature maps. In this paper, we introduce Absorb and Decompose for Q, K, V, and O matrices, enabling their orthogonalization without the need for transfer matrices. Furthermore, the Absorb-Decompose operation eliminates redundant vectors, reducing the encoder attention parameters of Whisper-large-v3 by 46.42% without requiring additional training. For parameter-efficient and stable fine-tuning, we orthonormalized Q, K, V, and O and fine-tuned only the singular values, allowing efficient adaptation while constraining changes to the original latent space. When fine-tuning LLaMA-2-7B on eight commonsense reasoning datasets, our method outperforms LoRA by 5.4% and DoRA by 4.4%.

Novel architectures have recently improved generative image synthesis leading to excellent visual quality in various tasks. Much of this success is due to the scalability of these architectures and hence caused by a dramatic increase in model complexity and in the computational resources invested in training these models. Our work questions the underlying paradigm of compressing large training data into ever growing parametric representations. We rather present an orthogonal, semi-parametric approach. We complement comparably small diffusion or autoregressive models with a separate image database and a retrieval strategy. During training we retrieve a set of nearest neighbors from this external database for each training instance and condition the generative model on these informative samples. While the retrieval approach is providing the (local) content, the model is focusing on learning the composition of scenes based on this content. As demonstrated by our experiments, simply swapping the database for one with different contents transfers a trained model post-hoc to a novel domain. The evaluation shows competitive performance on tasks which the generative model has not been trained on, such as class-conditional synthesis, zero-shot stylization or text-to-image synthesis without requiring paired text-image data. With negligible memory and computational overhead for the external database and retrieval we can significantly reduce the parameter count of the generative model and still outperform the state-of-the-art.

Modeling multivariate time series is a well-established problem with a wide range of applications from healthcare to financial markets. Traditional State Space Models (SSMs) are classical approaches for univariate time series modeling due to their simplicity and expressive power to represent linear dependencies. They, however, have fundamentally limited expressive power to capture non-linear dependencies, are slow in practice, and fail to model the inter-variate information flow. Despite recent attempts to improve the expressive power of SSMs by using deep structured SSMs, the existing methods are either limited to univariate time series, fail to model complex patterns (e.g., seasonal patterns), fail to dynamically model the dependencies of variate and time dimensions, and/or are input-independent. We present Chimera that uses two input-dependent 2-D SSM heads with different discretization processes to learn long-term progression and seasonal patterns. To improve the efficiency of complex 2D recurrence, we present a fast training using a new 2-dimensional parallel selective scan. We further present and discuss 2-dimensional Mamba and Mamba-2 as the spacial cases of our 2D SSM. Our experimental evaluation shows the superior performance of Chimera on extensive and diverse benchmarks, including ECG and speech time series classification, long-term and short-term time series forecasting, and time series anomaly detection.

We identify empirical scaling laws for the cross-entropy loss in four domains: generative image modeling, video modeling, multimodal imageleftrightarrowtext models, and mathematical problem solving. In all cases autoregressive Transformers smoothly improve in performance as model size and compute budgets increase, following a power-law plus constant scaling law. The optimal model size also depends on the compute budget through a power-law, with exponents that are nearly universal across all data domains. The cross-entropy loss has an information theoretic interpretation as S(True) + D_{KL}(True||Model), and the empirical scaling laws suggest a prediction for both the true data distribution's entropy and the KL divergence between the true and model distributions. With this interpretation, billion-parameter Transformers are nearly perfect models of the YFCC100M image distribution downsampled to an 8times 8 resolution, and we can forecast the model size needed to achieve any given reducible loss (ie D_{KL}) in nats/image for other resolutions. We find a number of additional scaling laws in specific domains: (a) we identify a scaling relation for the mutual information between captions and images in multimodal models, and show how to answer the question "Is a picture worth a thousand words?"; (b) in the case of mathematical problem solving, we identify scaling laws for model performance when extrapolating beyond the training distribution; (c) we finetune generative image models for ImageNet classification and find smooth scaling of the classification loss and error rate, even as the generative loss levels off. Taken together, these results strengthen the case that scaling laws have important implications for neural network performance, including on downstream tasks.

Imposing orthogonality on the layers of neural networks is known to facilitate the learning by limiting the exploding/vanishing of the gradient; decorrelate the features; improve the robustness. This paper studies the theoretical properties of orthogonal convolutional layers.We establish necessary and sufficient conditions on the layer architecture guaranteeing the existence of an orthogonal convolutional transform. The conditions prove that orthogonal convolutional transforms exist for almost all architectures used in practice for 'circular' padding.We also exhibit limitations with 'valid' boundary conditions and 'same' boundary conditions with zero-padding.Recently, a regularization term imposing the orthogonality of convolutional layers has been proposed, and impressive empirical results have been obtained in different applications (Wang et al. 2020).The second motivation of the present paper is to specify the theory behind this.We make the link between this regularization term and orthogonality measures. In doing so, we show that this regularization strategy is stable with respect to numerical and optimization errors and that, in the presence of small errors and when the size of the signal/image is large, the convolutional layers remain close to isometric.The theoretical results are confirmed with experiments and the landscape of the regularization term is studied. Experiments on real data sets show that when orthogonality is used to enforce robustness, the parameter multiplying the regularization termcan be used to tune a tradeoff between accuracy and orthogonality, for the benefit of both accuracy and robustness.Altogether, the study guarantees that the regularization proposed in Wang et al. (2020) is an efficient, flexible and stable numerical strategy to learn orthogonal convolutional layers.

Adapting a pre-trained foundation model on downstream tasks should ensure robustness against distribution shifts without the need to retrain the whole model. Although existing weight interpolation methods are simple yet effective, we argue their static nature limits downstream performance while achieving efficiency. In this work, we propose DaWin, a training-free dynamic weight interpolation method that leverages the entropy of individual models over each unlabeled test sample to assess model expertise, and compute per-sample interpolation coefficients dynamically. Unlike previous works that typically rely on additional training to learn such coefficients, our approach requires no training. Then, we propose a mixture modeling approach that greatly reduces inference overhead raised by dynamic interpolation. We validate DaWin on the large-scale visual recognition benchmarks, spanning 14 tasks across robust fine-tuning -- ImageNet and derived five distribution shift benchmarks -- and multi-task learning with eight classification tasks. Results demonstrate that DaWin achieves significant performance gain in considered settings, with minimal computational overhead. We further discuss DaWin's analytic behavior to explain its empirical success.

The framework of dominant learned video compression methods is usually composed of motion prediction modules as well as motion vector and residual image compression modules, suffering from its complex structure and error propagation problem. Approaches have been proposed to reduce the complexity by replacing motion prediction modules with implicit flow networks. Error propagation aware training strategy is also proposed to alleviate incremental reconstruction errors from previously decoded frames. Although these methods have brought some improvement, little attention has been paid to the framework itself. Inspired by the success of learned image compression through simplifying the framework with a single deep neural network, it is natural to expect a better performance in video compression via a simple yet appropriate framework. Therefore, we propose a framework to directly compress raw-pixel frames (rather than residual images), where no extra motion prediction module is required. Instead, an entropy model is used to estimate the spatiotemporal redundancy in a latent space rather than pixel level, which significantly reduces the complexity of the framework. Specifically, the whole framework is a compression module, consisting of a unified auto-encoder which produces identically distributed latents for all frames, and a spatiotemporal entropy estimation model to minimize the entropy of these latents. Experiments showed that the proposed method outperforms state-of-the-art (SOTA) performance under the metric of multiscale structural similarity (MS-SSIM) and achieves competitive results under the metric of PSNR.

This paper considers the problem of undersampled MRI reconstruction. We propose a novel Transformer-based framework for directly processing signal in k-space, going beyond the limitation of regular grids as ConvNets do. We adopt an implicit representation of k-space spectrogram, treating spatial coordinates as inputs, and dynamically query the sparsely sampled points to reconstruct the spectrogram, i.e. learning the inductive bias in k-space. To strike a balance between computational cost and reconstruction quality, we build the decoder with hierarchical structure to generate low-resolution and high-resolution outputs respectively. To validate the effectiveness of our proposed method, we have conducted extensive experiments on two public datasets, and demonstrate superior or comparable performance to state-of-the-art approaches.

Recent progress has been made towards learning invariant or equivariant representations with self-supervised learning. While invariant methods are evaluated on large scale datasets, equivariant ones are evaluated in smaller, more controlled, settings. We aim at bridging the gap between the two in order to learn more diverse representations that are suitable for a wide range of tasks. We start by introducing a dataset called 3DIEBench, consisting of renderings from 3D models over 55 classes and more than 2.5 million images where we have full control on the transformations applied to the objects. We further introduce a predictor architecture based on hypernetworks to learn equivariant representations with no possible collapse to invariance. We introduce SIE (Split Invariant-Equivariant) which combines the hypernetwork-based predictor with representations split in two parts, one invariant, the other equivariant, to learn richer representations. We demonstrate significant performance gains over existing methods on equivariance related tasks from both a qualitative and quantitative point of view. We further analyze our introduced predictor and show how it steers the learned latent space. We hope that both our introduced dataset and approach will enable learning richer representations without supervision in more complex scenarios. Code and data are available at https://github.com/facebookresearch/SIE.

Implicit Neural Representations (INRs) are a novel paradigm for signal representation that have attracted considerable interest for image compression. INRs offer unprecedented advantages in signal resolution and memory efficiency, enabling new possibilities for compression techniques. However, the existing limitations of INRs for image compression have not been sufficiently addressed in the literature. In this work, we explore the critical yet overlooked limiting factors of INRs, such as computational cost, unstable performance, and robustness. Through extensive experiments and empirical analysis, we provide a deeper and more nuanced understanding of implicit neural image compression methods such as Fourier Feature Networks and Siren. Our work also offers valuable insights for future research in this area.

The recently proposed Visual image Transformers (ViT) with pure attention have achieved promising performance on image recognition tasks, such as image classification. However, the routine of the current ViT model is to maintain a full-length patch sequence during inference, which is redundant and lacks hierarchical representation. To this end, we propose a Hierarchical Visual Transformer (HVT) which progressively pools visual tokens to shrink the sequence length and hence reduces the computational cost, analogous to the feature maps downsampling in Convolutional Neural Networks (CNNs). It brings a great benefit that we can increase the model capacity by scaling dimensions of depth/width/resolution/patch size without introducing extra computational complexity due to the reduced sequence length. Moreover, we empirically find that the average pooled visual tokens contain more discriminative information than the single class token. To demonstrate the improved scalability of our HVT, we conduct extensive experiments on the image classification task. With comparable FLOPs, our HVT outperforms the competitive baselines on ImageNet and CIFAR-100 datasets. Code is available at https://github.com/MonashAI/HVT

We present Simplex Random Features (SimRFs), a new random feature (RF) mechanism for unbiased approximation of the softmax and Gaussian kernels by geometrical correlation of random projection vectors. We prove that SimRFs provide the smallest possible mean square error (MSE) on unbiased estimates of these kernels among the class of weight-independent geometrically-coupled positive random feature (PRF) mechanisms, substantially outperforming the previously most accurate Orthogonal Random Features at no observable extra cost. We present a more computationally expensive SimRFs+ variant, which we prove is asymptotically optimal in the broader family of weight-dependent geometrical coupling schemes (which permit correlations between random vector directions and norms). In extensive empirical studies, we show consistent gains provided by SimRFs in settings including pointwise kernel estimation, nonparametric classification and scalable Transformers.

Deep neural network is difficult to train and this predicament becomes worse as the depth increases. The essence of this problem exists in the magnitude of backpropagated errors that will result in gradient vanishing or exploding phenomenon. We show that a variant of regularizer which utilizes orthonormality among different filter banks can alleviate this problem. Moreover, we design a backward error modulation mechanism based on the quasi-isometry assumption between two consecutive parametric layers. Equipped with these two ingredients, we propose several novel optimization solutions that can be utilized for training a specific-structured (repetitively triple modules of Conv-BNReLU) extremely deep convolutional neural network (CNN) WITHOUT any shortcuts/ identity mappings from scratch. Experiments show that our proposed solutions can achieve distinct improvements for a 44-layer and a 110-layer plain networks on both the CIFAR-10 and ImageNet datasets. Moreover, we can successfully train plain CNNs to match the performance of the residual counterparts. Besides, we propose new principles for designing network structure from the insights evoked by orthonormality. Combined with residual structure, we achieve comparative performance on the ImageNet dataset.

In spite of their huge success, transformer models remain difficult to scale in depth. In this work, we develop a unified signal propagation theory and provide formulae that govern the moments of the forward and backward signal through the transformer model. Our framework can be used to understand and mitigate vanishing/exploding gradients, rank collapse, and instability associated with high attention scores. We also propose DeepScaleLM, an initialization and scaling scheme that conserves unit output/gradient moments throughout the model, enabling the training of very deep models with 100s of layers. We find that transformer models could be much deeper - our deep models with fewer parameters outperform shallow models in Language Modeling, Speech Translation, and Image Classification, across Encoder-only, Decoder-only and Encoder-Decoder variants, for both Pre-LN and Post-LN transformers, for multiple datasets and model sizes. These improvements also translate into improved performance on downstream Question Answering tasks and improved robustness for image classification.

The rapid advancement in large language models (LLMs) comes with a significant increase in their parameter size, presenting challenges for adaptation and fine-tuning. Parameter-efficient fine-tuning (PEFT) methods are widely used to adapt LLMs for downstream tasks efficiently. In this paper, we propose Singular Values and Orthonormal Regularized Singular Vectors Adaptation, or SORSA, a novel PEFT method. We introduce a method to analyze the variation of the parameters by performing singular value decomposition (SVD) and discuss and analyze SORSA's superiority in minimizing the alteration in the SVD aspect. Each SORSA adapter consists of two main parts: trainable principal singular weights W_p = U_p Sigma_p V^top_p, and frozen residual weights W_r = U_r Sigma_r V^top_r. These parts are initialized by performing SVD on pre-trained weights. Moreover, we implement and analyze an orthonormal regularizer, which could effectively transfer the scaling information into Sigma_p and ultimately allows the training process to be more efficient. SORSA adapters could be merged during inference, thus eliminating any inference latency. After all, SORSA shows a faster convergence than PiSSA and LoRA in our experiments. On the MATH benchmark, Llama 2 7B adapted using SORSA achieved 10.36% accuracy, outperforming LoRA (5.50%), Full FT (7.22%), and PiSSA (7.44%). On the GSM-8K benchmark, SORSA achieved 56.03% accuracy, surpassing LoRA (42.30%), Full FT (49.05%), and PiSSA (53.07%). We conclude that SORSA offers a new perspective on parameter-efficient fine-tuning, demonstrating remarkable performance. The code is available at https://github.com/Gunale0926/SORSA.

Representing a manifold of very high-dimensional data with generative models has been shown to be computationally efficient in practice. However, this requires that the data manifold admits a global parameterization. In order to represent manifolds of arbitrary topology, we propose to learn a mixture model of variational autoencoders. Here, every encoder-decoder pair represents one chart of a manifold. We propose a loss function for maximum likelihood estimation of the model weights and choose an architecture that provides us the analytical expression of the charts and of their inverses. Once the manifold is learned, we use it for solving inverse problems by minimizing a data fidelity term restricted to the learned manifold. To solve the arising minimization problem we propose a Riemannian gradient descent algorithm on the learned manifold. We demonstrate the performance of our method for low-dimensional toy examples as well as for deblurring and electrical impedance tomography on certain image manifolds.

Large transformer models have demonstrated remarkable success. Post-training quantization (PTQ), which requires only a small dataset for calibration and avoids end-to-end retraining, is a promising solution for compressing these large models. Regrettably, existing PTQ methods typically exhibit non-trivial performance loss. We find that the performance bottleneck stems from over-consideration of hardware compatibility in the quantization process, compelling them to reluctantly employ simple quantizers, albeit at the expense of accuracy. With the above insights, we propose RepQuant, a novel PTQ framework with quantization-inference decoupling paradigm to address the above issues. RepQuant employs complex quantizers in the quantization process and simplified quantizers in the inference process, and performs mathematically equivalent transformations between the two through quantization scale reparameterization, thus ensuring both accurate quantization and efficient inference. More specifically, we focus on two components with extreme distributions: LayerNorm activations and Softmax activations. Initially, we apply channel-wise quantization and log2 quantization, respectively, which are tailored to their distributions. In particular, for the former, we introduce a learnable per-channel dual clipping scheme, which is designed to efficiently identify outliers in the unbalanced activations with fine granularity. Then, we reparameterize the scales to hardware-friendly layer-wise quantization and log2 quantization for inference. Moreover, quantized weight reconstruction is seamlessly integrated into the above procedure to further push the performance limits. Extensive experiments are performed on different large-scale transformer variants on multiple tasks, including vision, language, and multi-modal transformers, and RepQuant encouragingly demonstrates significant performance advantages.

Self-supervised representation learning~(SSRL) has advanced considerably by exploiting the transformation invariance assumption under artificially designed data augmentations. While augmentation-based SSRL algorithms push the boundaries of performance in computer vision and natural language processing, they are often not directly applicable to other data modalities, and can conflict with application-specific data augmentation constraints. This paper presents an SSRL approach that can be applied to any data modality and network architecture because it does not rely on augmentations or masking. Specifically, we show that high-quality data representations can be learned by reconstructing random data projections. We evaluate the proposed approach on a wide range of representation learning tasks that span diverse modalities and real-world applications. We show that it outperforms multiple state-of-the-art SSRL baselines. Due to its wide applicability and strong empirical results, we argue that learning from randomness is a fruitful research direction worthy of attention and further study.

The behavior of neural networks still remains opaque, and a recently widely noted phenomenon is that networks often achieve similar performance when initialized with different random parameters. This phenomenon has attracted significant attention in measuring the similarity between features learned by distinct networks. However, feature similarity could be vague in describing the same feature since equivalent features hardly exist. In this paper, we expand the concept of equivalent feature and provide the definition of what we call functionally equivalent features. These features produce equivalent output under certain transformations. Using this definition, we aim to derive a more intrinsic metric for the so-called feature complexity regarding the redundancy of features learned by a neural network at each layer. We offer a formal interpretation of our approach through the lens of category theory, a well-developed area in mathematics. To quantify the feature complexity, we further propose an efficient algorithm named Iterative Feature Merging. Our experimental results validate our ideas and theories from various perspectives. We empirically demonstrate that the functionally equivalence widely exists among different features learned by the same neural network and we could reduce the number of parameters of the network without affecting the performance.The IFM shows great potential as a data-agnostic model prune method. We have also drawn several interesting empirical findings regarding the defined feature complexity.

Audio pattern recognition is an important research topic in the machine learning area, and includes several tasks such as audio tagging, acoustic scene classification, music classification, speech emotion classification and sound event detection. Recently, neural networks have been applied to tackle audio pattern recognition problems. However, previous systems are built on specific datasets with limited durations. Recently, in computer vision and natural language processing, systems pretrained on large-scale datasets have generalized well to several tasks. However, there is limited research on pretraining systems on large-scale datasets for audio pattern recognition. In this paper, we propose pretrained audio neural networks (PANNs) trained on the large-scale AudioSet dataset. These PANNs are transferred to other audio related tasks. We investigate the performance and computational complexity of PANNs modeled by a variety of convolutional neural networks. We propose an architecture called Wavegram-Logmel-CNN using both log-mel spectrogram and waveform as input feature. Our best PANN system achieves a state-of-the-art mean average precision (mAP) of 0.439 on AudioSet tagging, outperforming the best previous system of 0.392. We transfer PANNs to six audio pattern recognition tasks, and demonstrate state-of-the-art performance in several of those tasks. We have released the source code and pretrained models of PANNs: https://github.com/qiuqiangkong/audioset_tagging_cnn.

Recent advancements in operator-type neural networks have shown promising results in approximating the solutions of spatiotemporal Partial Differential Equations (PDEs). However, these neural networks often entail considerable training expenses, and may not always achieve the desired accuracy required in many scientific and engineering disciplines. In this paper, we propose a new Spatiotemporal Fourier Neural Operator (SFNO) that learns maps between Bochner spaces, and a new learning framework to address these issues. This new paradigm leverages wisdom from traditional numerical PDE theory and techniques to refine the pipeline of commonly adopted end-to-end neural operator training and evaluations. Specifically, in the learning problems for the turbulent flow modeling by the Navier-Stokes Equations (NSE), the proposed architecture initiates the training with a few epochs for SFNO, concluding with the freezing of most model parameters. Then, the last linear spectral convolution layer is fine-tuned without the frequency truncation. The optimization uses a negative Sobolev norm for the first time as the loss in operator learning, defined through a reliable functional-type a posteriori error estimator whose evaluation is almost exact thanks to the Parseval identity. This design allows the neural operators to effectively tackle low-frequency errors while the relief of the de-aliasing filter addresses high-frequency errors. Numerical experiments on commonly used benchmarks for the 2D NSE demonstrate significant improvements in both computational efficiency and accuracy, compared to end-to-end evaluation and traditional numerical PDE solvers.

We show how bidirectional transformers trained for masked token prediction can be applied to neural image compression to achieve state-of-the-art results. Such models were previously used for image generation by progressivly sampling groups of masked tokens according to uncertainty-adaptive schedules. Unlike these works, we demonstrate that predefined, deterministic schedules perform as well or better for image compression. This insight allows us to use masked attention during training in addition to masked inputs, and activation caching during inference, to significantly speed up our models (~4 higher inference speed) at a small increase in bitrate.

Kolmogorov-Arnold networks (KANs) are a remarkable innovation consisting of learnable activation functions with the potential to capture more complex relationships from data. Although KANs are useful in finding symbolic representations and continual learning of one-dimensional functions, their effectiveness in diverse machine learning (ML) tasks, such as vision, remains questionable. Presently, KANs are deployed by replacing multilayer perceptrons (MLPs) in deep network architectures, including advanced architectures such as vision Transformers (ViTs). In this paper, we are the first to design a general learnable Kolmogorov-Arnold Attention (KArAt) for vanilla ViTs that can operate on any choice of basis. However, the computing and memory costs of training them motivated us to propose a more modular version, and we designed particular learnable attention, called Fourier-KArAt. Fourier-KArAt and its variants either outperform their ViT counterparts or show comparable performance on CIFAR-10, CIFAR-100, and ImageNet-1K datasets. We dissect these architectures' performance and generalization capacity by analyzing their loss landscapes, weight distributions, optimizer path, attention visualization, and spectral behavior, and contrast them with vanilla ViTs. The goal of this paper is not to produce parameter- and compute-efficient attention, but to encourage the community to explore KANs in conjunction with more advanced architectures that require a careful understanding of learnable activations. Our open-source code and implementation details are available on: https://subhajitmaity.me/KArAt

This paper introduces an end-to-end residual network that operates entirely on the Poincar\'e ball model of hyperbolic space. Hyperbolic learning has recently shown great potential for visual understanding, but is currently only performed in the penultimate layer(s) of deep networks. All visual representations are still learned through standard Euclidean networks. In this paper we investigate how to learn hyperbolic representations of visual data directly from the pixel-level. We propose Poincar\'e ResNet, a hyperbolic counterpart of the celebrated residual network, starting from Poincar\'e 2D convolutions up to Poincar\'e residual connections. We identify three roadblocks for training convolutional networks entirely in hyperbolic space and propose a solution for each: (i) Current hyperbolic network initializations collapse to the origin, limiting their applicability in deeper networks. We provide an identity-based initialization that preserves norms over many layers. (ii) Residual networks rely heavily on batch normalization, which comes with expensive Fr\'echet mean calculations in hyperbolic space. We introduce Poincar\'e midpoint batch normalization as a faster and equally effective alternative. (iii) Due to the many intermediate operations in Poincar\'e layers, we lastly find that the computation graphs of deep learning libraries blow up, limiting our ability to train on deep hyperbolic networks. We provide manual backward derivations of core hyperbolic operations to maintain manageable computation graphs.

Few shot classification aims to learn to recognize novel categories using only limited samples per category. Most current few shot methods use a base dataset rich in labeled examples to train an encoder that is used for obtaining representations of support instances for novel classes. Since the test instances are from a distribution different to the base distribution, their feature representations are of poor quality, degrading performance. In this paper we propose to make use of the well-trained feature representations of the base dataset that are closest to each support instance to improve its representation during meta-test time. To this end, we propose BaseTransformers, that attends to the most relevant regions of the base dataset feature space and improves support instance representations. Experiments on three benchmark data sets show that our method works well for several backbones and achieves state-of-the-art results in the inductive one shot setting. Code is available at github.com/mayug/BaseTransformers

Mixture models arise in many regression problems, but most methods have seen limited adoption partly due to these algorithms' highly-tailored and model-specific nature. On the other hand, transformers are flexible, neural sequence models that present the intriguing possibility of providing general-purpose prediction methods, even in this mixture setting. In this work, we investigate the hypothesis that transformers can learn an optimal predictor for mixtures of regressions. We construct a generative process for a mixture of linear regressions for which the decision-theoretic optimal procedure is given by data-driven exponential weights on a finite set of parameters. We observe that transformers achieve low mean-squared error on data generated via this process. By probing the transformer's output at inference time, we also show that transformers typically make predictions that are close to the optimal predictor. Our experiments also demonstrate that transformers can learn mixtures of regressions in a sample-efficient fashion and are somewhat robust to distribution shifts. We complement our experimental observations by proving constructively that the decision-theoretic optimal procedure is indeed implementable by a transformer.

Invariance learning methods aim to learn invariant features in the hope that they generalize under distributional shifts. Although many tasks are naturally characterized by continuous domains, current invariance learning techniques generally assume categorically indexed domains. For example, auto-scaling in cloud computing often needs a CPU utilization prediction model that generalizes across different times (e.g., time of a day and date of a year), where `time' is a continuous domain index. In this paper, we start by theoretically showing that existing invariance learning methods can fail for continuous domain problems. Specifically, the naive solution of splitting continuous domains into discrete ones ignores the underlying relationship among domains, and therefore potentially leads to suboptimal performance. To address this challenge, we then propose Continuous Invariance Learning (CIL), which extracts invariant features across continuously indexed domains. CIL is a novel adversarial procedure that measures and controls the conditional independence between the labels and continuous domain indices given the extracted features. Our theoretical analysis demonstrates the superiority of CIL over existing invariance learning methods. Empirical results on both synthetic and real-world datasets (including data collected from production systems) show that CIL consistently outperforms strong baselines among all the tasks.

In this paper, we find a sample complexity bound for learning a simplex from noisy samples. Assume a dataset of size n is given which includes i.i.d. samples drawn from a uniform distribution over an unknown simplex in R^K, where samples are assumed to be corrupted by a multi-variate additive Gaussian noise of an arbitrary magnitude. We prove the existence of an algorithm that with high probability outputs a simplex having a ell_2 distance of at most varepsilon from the true simplex (for any varepsilon>0). Also, we theoretically show that in order to achieve this bound, it is sufficient to have ngeleft(K^2/varepsilon^2right)e^{Omegaleft(K/SNR^2right)} samples, where SNR stands for the signal-to-noise ratio. This result solves an important open problem and shows as long as SNRgeOmegaleft(K^{1/2}right), the sample complexity of the noisy regime has the same order to that of the noiseless case. Our proofs are a combination of the so-called sample compression technique in ashtiani2018nearly, mathematical tools from high-dimensional geometry, and Fourier analysis. In particular, we have proposed a general Fourier-based technique for recovery of a more general class of distribution families from additive Gaussian noise, which can be further used in a variety of other related problems.

The traditional Transformer model encounters challenges with variable-length input sequences, particularly in Hyperspectral Image Classification (HSIC), leading to efficiency and scalability concerns. To overcome this, we propose a pyramid-based hierarchical transformer (PyFormer). This innovative approach organizes input data hierarchically into segments, each representing distinct abstraction levels, thereby enhancing processing efficiency for lengthy sequences. At each level, a dedicated transformer module is applied, effectively capturing both local and global context. Spatial and spectral information flow within the hierarchy facilitates communication and abstraction propagation. Integration of outputs from different levels culminates in the final input representation. Experimental results underscore the superiority of the proposed method over traditional approaches. Additionally, the incorporation of disjoint samples augments robustness and reliability, thereby highlighting the potential of our approach in advancing HSIC. The source code is available at https://github.com/mahmad00/PyFormer.

Generative models in vision have seen rapid progress due to algorithmic improvements and the availability of high-quality image datasets. In this paper, we offer contributions in both these areas to enable similar progress in audio modeling. First, we detail a powerful new WaveNet-style autoencoder model that conditions an autoregressive decoder on temporal codes learned from the raw audio waveform. Second, we introduce NSynth, a large-scale and high-quality dataset of musical notes that is an order of magnitude larger than comparable public datasets. Using NSynth, we demonstrate improved qualitative and quantitative performance of the WaveNet autoencoder over a well-tuned spectral autoencoder baseline. Finally, we show that the model learns a manifold of embeddings that allows for morphing between instruments, meaningfully interpolating in timbre to create new types of sounds that are realistic and expressive.

Despite the eminent successes of deep neural networks, many architectures are often hard to transfer to irregularly-sampled and asynchronous time series that commonly occur in real-world datasets, especially in healthcare applications. This paper proposes a novel approach for classifying irregularly-sampled time series with unaligned measurements, focusing on high scalability and data efficiency. Our method SeFT (Set Functions for Time Series) is based on recent advances in differentiable set function learning, extremely parallelizable with a beneficial memory footprint, thus scaling well to large datasets of long time series and online monitoring scenarios. Furthermore, our approach permits quantifying per-observation contributions to the classification outcome. We extensively compare our method with existing algorithms on multiple healthcare time series datasets and demonstrate that it performs competitively whilst significantly reducing runtime.

Developing architectures suitable for modeling raw audio is a challenging problem due to the high sampling rates of audio waveforms. Standard sequence modeling approaches like RNNs and CNNs have previously been tailored to fit the demands of audio, but the resultant architectures make undesirable computational tradeoffs and struggle to model waveforms effectively. We propose SaShiMi, a new multi-scale architecture for waveform modeling built around the recently introduced S4 model for long sequence modeling. We identify that S4 can be unstable during autoregressive generation, and provide a simple improvement to its parameterization by drawing connections to Hurwitz matrices. SaShiMi yields state-of-the-art performance for unconditional waveform generation in the autoregressive setting. Additionally, SaShiMi improves non-autoregressive generation performance when used as the backbone architecture for a diffusion model. Compared to prior architectures in the autoregressive generation setting, SaShiMi generates piano and speech waveforms which humans find more musical and coherent respectively, e.g. 2x better mean opinion scores than WaveNet on an unconditional speech generation task. On a music generation task, SaShiMi outperforms WaveNet on density estimation and speed at both training and inference even when using 3x fewer parameters. Code can be found at https://github.com/HazyResearch/state-spaces and samples at https://hazyresearch.stanford.edu/sashimi-examples.

We present Submatrix-wise Vector Embedding Learner (Swivel), a method for generating low-dimensional feature embeddings from a feature co-occurrence matrix. Swivel performs approximate factorization of the point-wise mutual information matrix via stochastic gradient descent. It uses a piecewise loss with special handling for unobserved co-occurrences, and thus makes use of all the information in the matrix. While this requires computation proportional to the size of the entire matrix, we make use of vectorized multiplication to process thousands of rows and columns at once to compute millions of predicted values. Furthermore, we partition the matrix into shards in order to parallelize the computation across many nodes. This approach results in more accurate embeddings than can be achieved with methods that consider only observed co-occurrences, and can scale to much larger corpora than can be handled with sampling methods.

A number of different architectures and loss functions have been applied to the problem of self-supervised learning (SSL), with the goal of developing embeddings that provide the best possible pre-training for as-yet-unknown, lightly supervised downstream tasks. One of these SSL criteria is to maximize the entropy of a set of embeddings in some compact space. But the goal of maximizing the embedding entropy often depends--whether explicitly or implicitly--upon high dimensional entropy estimates, which typically perform poorly in more than a few dimensions. In this paper, we motivate an effective entropy maximization criterion (E2MC), defined in terms of easy-to-estimate, low-dimensional constraints. We demonstrate that using it to continue training an already-trained SSL model for only a handful of epochs leads to a consistent and, in some cases, significant improvement in downstream performance. We perform careful ablation studies to show that the improved performance is due to the proposed add-on criterion. We also show that continued pre-training with alternative criteria does not lead to notable improvements, and in some cases, even degrades performance.

The use of deep unfolding networks in compressive sensing (CS) has seen wide success as they provide both simplicity and interpretability. However, since most deep unfolding networks are iterative, this incurs significant redundancies in the network. In this work, we propose a novel recursion-based framework to enhance the efficiency of deep unfolding models. First, recursions are used to effectively eliminate the redundancies in deep unfolding networks. Secondly, we randomize the number of recursions during training to decrease the overall training time. Finally, to effectively utilize the power of recursions, we introduce a learnable unit to modulate the features of the model based on both the total number of iterations and the current iteration index. To evaluate the proposed framework, we apply it to both ISTA-Net+ and COAST. Extensive testing shows that our proposed framework allows the network to cut down as much as 75% of its learnable parameters while mostly maintaining its performance, and at the same time, it cuts around 21% and 42% from the training time for ISTA-Net+ and COAST respectively. Moreover, when presented with a limited training dataset, the recursive models match or even outperform their respective non-recursive baseline. Codes and pretrained models are available at https://github.com/Rawwad-Alhejaili/Recursions-Are-All-You-Need .

Learning partial differential equations' (PDEs) solution operators is an essential problem in machine learning. However, there are several challenges for learning operators in practical applications like the irregular mesh, multiple input functions, and complexity of the PDEs' solution. To address these challenges, we propose a general neural operator transformer (GNOT), a scalable and effective transformer-based framework for learning operators. By designing a novel heterogeneous normalized attention layer, our model is highly flexible to handle multiple input functions and irregular meshes. Besides, we introduce a geometric gating mechanism which could be viewed as a soft domain decomposition to solve the multi-scale problems. The large model capacity of the transformer architecture grants our model the possibility to scale to large datasets and practical problems. We conduct extensive experiments on multiple challenging datasets from different domains and achieve a remarkable improvement compared with alternative methods. Our code and data are publicly available at https://github.com/thu-ml/GNOT.

Previous literature offers limited clues on how to learn a periodic function using modern neural networks. We start with a study of the extrapolation properties of neural networks; we prove and demonstrate experimentally that the standard activations functions, such as ReLU, tanh, sigmoid, along with their variants, all fail to learn to extrapolate simple periodic functions. We hypothesize that this is due to their lack of a "periodic" inductive bias. As a fix of this problem, we propose a new activation, namely, x + sin^2(x), which achieves the desired periodic inductive bias to learn a periodic function while maintaining a favorable optimization property of the ReLU-based activations. Experimentally, we apply the proposed method to temperature and financial data prediction.

The spatio-temporal complexity of video data presents significant challenges in tasks such as compression, generation, and inpainting. We present four key contributions to address the challenges of spatiotemporal video processing. First, we introduce the 3D Mobile Inverted Vector-Quantization Variational Autoencoder (3D-MBQ-VAE), which combines Variational Autoencoders (VAEs) with masked token modeling to enhance spatiotemporal video compression. The model achieves superior temporal consistency and state-of-the-art (SOTA) reconstruction quality by employing a novel training strategy with full frame masking. Second, we present MotionAura, a text-to-video generation framework that utilizes vector-quantized diffusion models to discretize the latent space and capture complex motion dynamics, producing temporally coherent videos aligned with text prompts. Third, we propose a spectral transformer-based denoising network that processes video data in the frequency domain using the Fourier Transform. This method effectively captures global context and long-range dependencies for high-quality video generation and denoising. Lastly, we introduce a downstream task of Sketch Guided Video Inpainting. This task leverages Low-Rank Adaptation (LoRA) for parameter-efficient fine-tuning. Our models achieve SOTA performance on a range of benchmarks. Our work offers robust frameworks for spatiotemporal modeling and user-driven video content manipulation. We will release the code, datasets, and models in open-source.

Neural fields, mapping low-dimensional input coordinates to corresponding signals, have shown promising results in representing various signals. Numerous methodologies have been proposed, and techniques employing MLPs and grid representations have achieved substantial success. MLPs allow compact and high expressibility, yet often suffer from spectral bias and slow convergence speed. On the other hand, methods using grids are free from spectral bias and achieve fast training speed, however, at the expense of high spatial complexity. In this work, we propose a novel way for exploiting both MLPs and grid representations in neural fields. Unlike the prevalent methods that combine them sequentially (extract features from the grids first and feed them to the MLP), we inject spectral bias-free grid representations into the intermediate features in the MLP. More specifically, we suggest a Coordinate-Aware Modulation (CAM), which modulates the intermediate features using scale and shift parameters extracted from the grid representations. This can maintain the strengths of MLPs while mitigating any remaining potential biases, facilitating the rapid learning of high-frequency components. In addition, we empirically found that the feature normalizations, which have not been successful in neural filed literature, proved to be effective when applied in conjunction with the proposed CAM. Experimental results demonstrate that CAM enhances the performance of neural representation and improves learning stability across a range of signals. Especially in the novel view synthesis task, we achieved state-of-the-art performance with the least number of parameters and fast training speed for dynamic scenes and the best performance under 1MB memory for static scenes. CAM also outperforms the best-performing video compression methods using neural fields by a large margin.

Expanding on neural operators, we propose a novel framework for stochastic process learning across arbitrary domains. In particular, we develop operator flow matching (OFM) for learning stochastic process priors on function spaces. OFM provides the probability density of the values of any collection of points and enables mathematically tractable functional regression at new points with mean and density estimation. Our method outperforms state-of-the-art models in stochastic process learning, functional regression, and prior learning.

We introduce Sundial, a family of native, flexible, and scalable time series foundation models. To predict the next-patch's distribution, we propose a TimeFlow Loss based on flow-matching, which facilitates native pre-training of Transformers on time series without discrete tokenization. Conditioned on arbitrary-length time series, our model is pre-trained without specifying any prior distribution and can generate multiple probable predictions, achieving flexibility in representation learning beyond using parametric densities. Towards time series foundation models, we leverage minimal but crucial adaptations of Transformers and curate TimeBench with 1 trillion time points, comprising mostly real-world datasets and synthetic data. By mitigating mode collapse through TimeFlow Loss, we pre-train a family of Sundial models on TimeBench, which exhibit unprecedented model capacity and generalization performance on zero-shot forecasting. In addition to presenting good scaling behavior, Sundial achieves new state-of-the-art on both point forecasting and probabilistic forecasting benchmarks. We believe that Sundial's pioneering generative paradigm will facilitate a wide variety of forecasting scenarios.

Deep learning has been wildly successful in practice and most state-of-the-art machine learning methods are based on neural networks. Lacking, however, is a rigorous mathematical theory that adequately explains the amazing performance of deep neural networks. In this article, we present a relatively new mathematical framework that provides the beginning of a deeper understanding of deep learning. This framework precisely characterizes the functional properties of neural networks that are trained to fit to data. The key mathematical tools which support this framework include transform-domain sparse regularization, the Radon transform of computed tomography, and approximation theory, which are all techniques deeply rooted in signal processing. This framework explains the effect of weight decay regularization in neural network training, the use of skip connections and low-rank weight matrices in network architectures, the role of sparsity in neural networks, and explains why neural networks can perform well in high-dimensional problems.

Understanding the internal representations learned by neural networks is a cornerstone challenge in the science of machine learning. While there have been significant recent strides in some cases towards understanding how neural networks implement specific target functions, this paper explores a complementary question -- why do networks arrive at particular computational strategies? Our inquiry focuses on the algebraic learning tasks of modular addition, sparse parities, and finite group operations. Our primary theoretical findings analytically characterize the features learned by stylized neural networks for these algebraic tasks. Notably, our main technique demonstrates how the principle of margin maximization alone can be used to fully specify the features learned by the network. Specifically, we prove that the trained networks utilize Fourier features to perform modular addition and employ features corresponding to irreducible group-theoretic representations to perform compositions in general groups, aligning closely with the empirical observations of Nanda et al. and Chughtai et al. More generally, we hope our techniques can help to foster a deeper understanding of why neural networks adopt specific computational strategies.

Blind image restoration remains a significant challenge in low-level vision tasks. Recently, denoising diffusion models have shown remarkable performance in image synthesis. Guided diffusion models, leveraging the potent generative priors of pre-trained models along with a differential guidance loss, have achieved promising results in blind image restoration. However, these models typically consider data consistency solely in the spatial domain, often resulting in distorted image content. In this paper, we propose a novel frequency-aware guidance loss that can be integrated into various diffusion models in a plug-and-play manner. Our proposed guidance loss, based on 2D discrete wavelet transform, simultaneously enforces content consistency in both the spatial and frequency domains. Experimental results demonstrate the effectiveness of our method in three blind restoration tasks: blind image deblurring, imaging through turbulence, and blind restoration for multiple degradations. Notably, our method achieves a significant improvement in PSNR score, with a remarkable enhancement of 3.72\,dB in image deblurring. Moreover, our method exhibits superior capability in generating images with rich details and reduced distortion, leading to the best visual quality.

We combine vision transformers with operator learning to solve diverse inverse problems described by partial differential equations (PDEs). Our approach, named ViTO, combines a U-Net based architecture with a vision transformer. We apply ViTO to solve inverse PDE problems of increasing complexity, namely for the wave equation, the Navier-Stokes equations and the Darcy equation. We focus on the more challenging case of super-resolution, where the input dataset for the inverse problem is at a significantly coarser resolution than the output. The results we obtain are comparable or exceed the leading operator network benchmarks in terms of accuracy. Furthermore, ViTO`s architecture has a small number of trainable parameters (less than 10% of the leading competitor), resulting in a performance speed-up of over 5x when averaged over the various test cases.

Parameter-efficient finetuning (PEFT) has become ubiquitous to adapt foundation models to downstream task requirements while retaining their generalization ability. However, the amount of additionally introduced parameters and compute for successful adaptation and hyperparameter searches can explode quickly, especially when deployed at scale to serve numerous individual requests. To ensure effective, parameter-efficient, and hyperparameter-robust adaptation, we propose the ETHER transformation family, which performs Efficient fineTuning via HypErplane Reflections. By design, ETHER transformations require a minimal number of parameters, are less likely to deteriorate model performance, and exhibit robustness to hyperparameter and learning rate choices. In particular, we introduce ETHER and its relaxation ETHER+, which match or outperform existing PEFT methods with significantly fewer parameters (sim10-100 times lower than LoRA or OFT) across multiple image synthesis and natural language tasks without exhaustive hyperparameter tuning. Finally, we investigate the recent emphasis on Hyperspherical Energy retention for adaptation and raise questions on its practical utility. The code is available at https://github.com/mwbini/ether.

It is widely believed that the success of deep convolutional networks is based on progressively discarding uninformative variability about the input with respect to the problem at hand. This is supported empirically by the difficulty of recovering images from their hidden representations, in most commonly used network architectures. In this paper we show via a one-to-one mapping that this loss of information is not a necessary condition to learn representations that generalize well on complicated problems, such as ImageNet. Via a cascade of homeomorphic layers, we build the i-RevNet, a network that can be fully inverted up to the final projection onto the classes, i.e. no information is discarded. Building an invertible architecture is difficult, for one, because the local inversion is ill-conditioned, we overcome this by providing an explicit inverse. An analysis of i-RevNets learned representations suggests an alternative explanation for the success of deep networks by a progressive contraction and linear separation with depth. To shed light on the nature of the model learned by the i-RevNet we reconstruct linear interpolations between natural image representations.

We address the problem of learning the dynamics of an unknown non-parametric system linking a target and a feature time series. The feature time series is measured on a sparse and irregular grid, while we have access to only a few points of the target time series. Once learned, we can use these dynamics to predict values of the target from the previous values of the feature time series. We frame this task as learning the solution map of a controlled differential equation (CDE). By leveraging the rich theory of signatures, we are able to cast this non-linear problem as a high-dimensional linear regression. We provide an oracle bound on the prediction error which exhibits explicit dependencies on the individual-specific sampling schemes. Our theoretical results are illustrated by simulations which show that our method outperforms existing algorithms for recovering the full time series while being computationally cheap. We conclude by demonstrating its potential on real-world epidemiological data.

Dictionary learning is a branch of signal processing and machine learning that aims at finding a frame (called dictionary) in which some training data admits a sparse representation. The sparser the representation, the better the dictionary. The resulting dictionary is in general a dense matrix, and its manipulation can be computationally costly both at the learning stage and later in the usage of this dictionary, for tasks such as sparse coding. Dictionary learning is thus limited to relatively small-scale problems. In this paper, inspired by usual fast transforms, we consider a general dictionary structure that allows cheaper manipulation, and propose an algorithm to learn such dictionaries --and their fast implementation-- over training data. The approach is demonstrated experimentally with the factorization of the Hadamard matrix and with synthetic dictionary learning experiments.

Adapting large-scale pre-trained generative models in a parameter-efficient manner is gaining traction. Traditional methods like low rank adaptation achieve parameter efficiency by imposing constraints but may not be optimal for tasks requiring high representation capacity. We propose a novel spectrum-aware adaptation framework for generative models. Our method adjusts both singular values and their basis vectors of pretrained weights. Using the Kronecker product and efficient Stiefel optimizers, we achieve parameter-efficient adaptation of orthogonal matrices. We introduce Spectral Orthogonal Decomposition Adaptation (SODA), which balances computational efficiency and representation capacity. Extensive evaluations on text-to-image diffusion models demonstrate SODA's effectiveness, offering a spectrum-aware alternative to existing fine-tuning methods.

We present a self-supervised framework that learns population-level codes for arbitrary ensembles of neural recordings at scale. We address two key challenges in scaling models with neural time-series data: sparse and variable electrode distribution across subjects and datasets. The Population Transformer (PopT) stacks on top of pretrained representations and enhances downstream decoding by enabling learned aggregation of multiple spatially-sparse data channels. The pretrained PopT lowers the amount of data required for downstream decoding experiments, while increasing accuracy, even on held-out subjects and tasks. Compared to end-to-end methods, this approach is computationally lightweight and more interpretable, while still retaining competitive performance. We further show how our framework is generalizable to multiple time-series embeddings and neural data modalities. Beyond decoding, we interpret the pretrained PopT and fine-tuned models to show how they can be used to extract neuroscience insights from massive amounts of data. We release our code as well as a pretrained PopT to enable off-the-shelf improvements in multi-channel intracranial data decoding and interpretability.

Deep learning for time series forecasting has traditionally operated within a one-model-per-dataset framework, limiting its potential to leverage the game-changing impact of large pre-trained models. The concept of universal forecasting, emerging from pre-training on a vast collection of time series datasets, envisions a single Large Time Series Model capable of addressing diverse downstream forecasting tasks. However, constructing such a model poses unique challenges specific to time series data: i) cross-frequency learning, ii) accommodating an arbitrary number of variates for multivariate time series, and iii) addressing the varying distributional properties inherent in large-scale data. To address these challenges, we present novel enhancements to the conventional time series Transformer architecture, resulting in our proposed Masked Encoder-based Universal Time Series Forecasting Transformer (Moirai). Trained on our newly introduced Large-scale Open Time Series Archive (LOTSA) featuring over 27B observations across nine domains, Moirai achieves competitive or superior performance as a zero-shot forecaster when compared to full-shot models. Code, model weights, and data will be released.

We introduce a design strategy for neural network macro-architecture based on self-similarity. Repeated application of a simple expansion rule generates deep networks whose structural layouts are precisely truncated fractals. These networks contain interacting subpaths of different lengths, but do not include any pass-through or residual connections; every internal signal is transformed by a filter and nonlinearity before being seen by subsequent layers. In experiments, fractal networks match the excellent performance of standard residual networks on both CIFAR and ImageNet classification tasks, thereby demonstrating that residual representations may not be fundamental to the success of extremely deep convolutional neural networks. Rather, the key may be the ability to transition, during training, from effectively shallow to deep. We note similarities with student-teacher behavior and develop drop-path, a natural extension of dropout, to regularize co-adaptation of subpaths in fractal architectures. Such regularization allows extraction of high-performance fixed-depth subnetworks. Additionally, fractal networks exhibit an anytime property: shallow subnetworks provide a quick answer, while deeper subnetworks, with higher latency, provide a more accurate answer.

Large, pretrained models are commonly finetuned with imagery that is heavily augmented to mimic different conditions and scales, with the resulting models used for various tasks with imagery from a range of spatial scales. Such models overlook scale-specific information in the data for scale-dependent domains, such as remote sensing. In this paper, we present Scale-MAE, a pretraining method that explicitly learns relationships between data at different, known scales throughout the pretraining process. Scale-MAE pretrains a network by masking an input image at a known input scale, where the area of the Earth covered by the image determines the scale of the ViT positional encoding, not the image resolution. Scale-MAE encodes the masked image with a standard ViT backbone, and then decodes the masked image through a bandpass filter to reconstruct low/high frequency images at lower/higher scales. We find that tasking the network with reconstructing both low/high frequency images leads to robust multiscale representations for remote sensing imagery. Scale-MAE achieves an average of a 2.4 - 5.6% non-parametric kNN classification improvement across eight remote sensing datasets compared to current state-of-the-art and obtains a 0.9 mIoU to 1.7 mIoU improvement on the SpaceNet building segmentation transfer task for a range of evaluation scales.

Our understanding of the temporal dynamics of the Earth's surface has been advanced by deep vision models, which often require lots of labeled multi-temporal images for training. However, collecting, preprocessing, and annotating multi-temporal remote sensing images at scale is non-trivial since it is expensive and knowledge-intensive. In this paper, we present change data generators based on generative models, which are cheap and automatic, alleviating these data problems. Our main idea is to simulate a stochastic change process over time. We describe the stochastic change process as a probabilistic graphical model (GPCM), which factorizes the complex simulation problem into two more tractable sub-problems, i.e., change event simulation and semantic change synthesis. To solve these two problems, we present Changen2, a GPCM with a resolution-scalable diffusion transformer which can generate time series of images and their semantic and change labels from labeled or unlabeled single-temporal images. Changen2 is a generative change foundation model that can be trained at scale via self-supervision, and can produce change supervisory signals from unlabeled single-temporal images. Unlike existing foundation models, Changen2 synthesizes change data to train task-specific foundation models for change detection. The resulting model possesses inherent zero-shot change detection capabilities and excellent transferability. Experiments suggest Changen2 has superior spatiotemporal scalability, e.g., Changen2 model trained on 256^2 pixel single-temporal images can yield time series of any length and resolutions of 1,024^2 pixels. Changen2 pre-trained models exhibit superior zero-shot performance (narrowing the performance gap to 3% on LEVIR-CD and approximately 10% on both S2Looking and SECOND, compared to fully supervised counterparts) and transferability across multiple types of change tasks.

Deep learning has become an area of interest in most scientific areas, including physical sciences. Modern networks apply real-valued transformations on the data. Particularly, convolutions in convolutional neural networks discard phase information entirely. Many deterministic signals, such as seismic data or electrical signals, contain significant information in the phase of the signal. We explore complex-valued deep convolutional networks to leverage non-linear feature maps. Seismic data commonly has a lowcut filter applied, to attenuate noise from ocean waves and similar long wavelength contributions. Discarding the phase information leads to low-frequency aliasing analogous to the Nyquist-Shannon theorem for high frequencies. In non-stationary data, the phase content can stabilize training and improve the generalizability of neural networks. While it has been shown that phase content can be restored in deep neural networks, we show how including phase information in feature maps improves both training and inference from deterministic physical data. Furthermore, we show that the reduction of parameters in a complex network outperforms larger real-valued networks.

Denoising diffusion probabilistic models (DDPMs) are becoming the leading paradigm for generative models. It has recently shown breakthroughs in audio synthesis, time series imputation and forecasting. In this paper, we propose Diffusion-TS, a novel diffusion-based framework that generates multivariate time series samples of high quality by using an encoder-decoder transformer with disentangled temporal representations, in which the decomposition technique guides Diffusion-TS to capture the semantic meaning of time series while transformers mine detailed sequential information from the noisy model input. Different from existing diffusion-based approaches, we train the model to directly reconstruct the sample instead of the noise in each diffusion step, combining a Fourier-based loss term. Diffusion-TS is expected to generate time series satisfying both interpretablity and realness. In addition, it is shown that the proposed Diffusion-TS can be easily extended to conditional generation tasks, such as forecasting and imputation, without any model changes. This also motivates us to further explore the performance of Diffusion-TS under irregular settings. Finally, through qualitative and quantitative experiments, results show that Diffusion-TS achieves the state-of-the-art results on various realistic analyses of time series.

Proposing an effective and flexible matrix to represent a graph is a fundamental challenge that has been explored from multiple perspectives, e.g., filtering in Graph Fourier Transforms. In this work, we develop a novel and general framework which unifies many existing GNN models from the view of parameterized decomposition and filtering, and show how it helps to enhance the flexibility of GNNs while alleviating the smoothness and amplification issues of existing models. Essentially, we show that the extensively studied spectral graph convolutions with learnable polynomial filters are constrained variants of this formulation, and releasing these constraints enables our model to express the desired decomposition and filtering simultaneously. Based on this generalized framework, we develop models that are simple in implementation but achieve significant improvements and computational efficiency on a variety of graph learning tasks. Code is available at https://github.com/qslim/PDF.

JPEG is arguably the most popular image coding format, achieving high compression ratios via lossy quantization that may create visual artifacts degradation. Numerous attempts to remove these artifacts were conceived over the years, and common to most of these is the use of deterministic post-processing algorithms that optimize some distortion measure (e.g., PSNR, SSIM). In this paper we propose a different paradigm for JPEG artifact correction: Our method is stochastic, and the objective we target is high perceptual quality -- striving to obtain sharp, detailed and visually pleasing reconstructed images, while being consistent with the compressed input. These goals are achieved by training a stochastic conditional generator (conditioned on the compressed input), accompanied by a theoretically well-founded loss term, resulting in a sampler from the posterior distribution. Our solution offers a diverse set of plausible and fast reconstructions for a given input with perfect consistency. We demonstrate our scheme's unique properties and its superiority to a variety of alternative methods on the FFHQ and ImageNet datasets.

We present a simple picture of the training process of joint embedding self-supervised learning methods. We find that these methods learn their high-dimensional embeddings one dimension at a time in a sequence of discrete, well-separated steps. We arrive at this conclusion via the study of a linearized model of Barlow Twins applicable to the case in which the trained network is infinitely wide. We solve the training dynamics of this model from small initialization, finding that the model learns the top eigenmodes of a certain contrastive kernel in a stepwise fashion, and obtain a closed-form expression for the final learned representations. Remarkably, we then see the same stepwise learning phenomenon when training deep ResNets using the Barlow Twins, SimCLR, and VICReg losses. Our theory suggests that, just as kernel regression can be thought of as a model of supervised learning, kernel PCA may serve as a useful model of self-supervised learning.