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Apr 21

LlamaFusion: Adapting Pretrained Language Models for Multimodal Generation

We present LlamaFusion, a framework for empowering pretrained text-only large language models (LLMs) with multimodal generative capabilities, enabling them to understand and generate both text and images in arbitrary sequences. LlamaFusion leverages existing Llama-3's weights for processing texts autoregressively while introducing additional and parallel transformer modules for processing images with diffusion. During training, the data from each modality is routed to its dedicated modules: modality-specific feedforward layers, query-key-value projections, and normalization layers process each modality independently, while the shared self-attention layers allow interactions across text and image features. By freezing the text-specific modules and only training the image-specific modules, LlamaFusion preserves the language capabilities of text-only LLMs while developing strong visual understanding and generation abilities. Compared to methods that pretrain multimodal generative models from scratch, our experiments demonstrate that, LlamaFusion improves image understanding by 20% and image generation by 3.6% using only 50% of the FLOPs while maintaining Llama-3's language capabilities. We also demonstrate that this framework can adapt existing vision-language models with multimodal generation ability. Overall, this framework not only leverages existing computational investments in text-only LLMs but also enables the parallel development of language and vision capabilities, presenting a promising direction for efficient multimodal model development.

Scalable Neural Network Kernels

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.

Learning Delays in Spiking Neural Networks using Dilated Convolutions with Learnable Spacings

Spiking Neural Networks (SNNs) are a promising research direction for building power-efficient information processing systems, especially for temporal tasks such as speech recognition. In SNNs, delays refer to the time needed for one spike to travel from one neuron to another. These delays matter because they influence the spike arrival times, and it is well-known that spiking neurons respond more strongly to coincident input spikes. More formally, it has been shown theoretically that plastic delays greatly increase the expressivity in SNNs. Yet, efficient algorithms to learn these delays have been lacking. Here, we propose a new discrete-time algorithm that addresses this issue in deep feedforward SNNs using backpropagation, in an offline manner. To simulate delays between consecutive layers, we use 1D convolutions across time. The kernels contain only a few non-zero weights - one per synapse - whose positions correspond to the delays. These positions are learned together with the weights using the recently proposed Dilated Convolution with Learnable Spacings (DCLS). We evaluated our method on three datasets: the Spiking Heidelberg Dataset (SHD), the Spiking Speech Commands (SSC) and its non-spiking version Google Speech Commands v0.02 (GSC) benchmarks, which require detecting temporal patterns. We used feedforward SNNs with two or three hidden fully connected layers, and vanilla leaky integrate-and-fire neurons. We showed that fixed random delays help and that learning them helps even more. Furthermore, our method outperformed the state-of-the-art in the three datasets without using recurrent connections and with substantially fewer parameters. Our work demonstrates the potential of delay learning in developing accurate and precise models for temporal data processing. Our code is based on PyTorch / SpikingJelly and available at: https://github.com/Thvnvtos/SNN-delays

Counter-Current Learning: A Biologically Plausible Dual Network Approach for Deep Learning

Despite its widespread use in neural networks, error backpropagation has faced criticism for its lack of biological plausibility, suffering from issues such as the backward locking problem and the weight transport problem. These limitations have motivated researchers to explore more biologically plausible learning algorithms that could potentially shed light on how biological neural systems adapt and learn. Inspired by the counter-current exchange mechanisms observed in biological systems, we propose counter-current learning (CCL), a biologically plausible framework for credit assignment in neural networks. This framework employs a feedforward network to process input data and a feedback network to process targets, with each network enhancing the other through anti-parallel signal propagation. By leveraging the more informative signals from the bottom layer of the feedback network to guide the updates of the top layer of the feedforward network and vice versa, CCL enables the simultaneous transformation of source inputs to target outputs and the dynamic mutual influence of these transformations. Experimental results on MNIST, FashionMNIST, CIFAR10, and CIFAR100 datasets using multi-layer perceptrons and convolutional neural networks demonstrate that CCL achieves comparable performance to other biologically plausible algorithms while offering a more biologically realistic learning mechanism. Furthermore, we showcase the applicability of our approach to an autoencoder task, underscoring its potential for unsupervised representation learning. Our work presents a direction for biologically inspired and plausible learning algorithms, offering an alternative mechanism of learning and adaptation in neural networks.

Attention is All You Need? Good Embeddings with Statistics are enough:Large Scale Audio Understanding without Transformers/ Convolutions/ BERTs/ Mixers/ Attention/ RNNs or ....

This paper presents a way of doing large scale audio understanding without traditional state of the art neural architectures. Ever since the introduction of deep learning for understanding audio signals in the past decade, convolutional architectures have been able to achieve state of the art results surpassing traditional hand-crafted features. In the recent past, there has been a similar shift away from traditional convolutional and recurrent neural networks towards purely end-to-end Transformer architectures. We, in this work, explore an approach, based on Bag-of-Words model. Our approach does not have any convolutions, recurrence, attention, transformers or other approaches such as BERT. We utilize micro and macro level clustered vanilla embeddings, and use a MLP head for classification. We only use feed-forward encoder-decoder models to get the bottlenecks of spectral envelops, spectral patches and slices as well as multi-resolution spectra. A classification head (a feed-forward layer), similar to the approach in SimCLR is trained on a learned representation. Using simple codes learned on latent representations, we show how we surpass traditional convolutional neural network architectures, and come strikingly close to outperforming powerful Transformer architectures. This work hopefully would pave way for exciting advancements in the field of representation learning without massive, end-to-end neural architectures.

FIT: Far-reaching Interleaved Transformers

We present FIT: a transformer-based architecture with efficient self-attention and adaptive computation. Unlike original transformers, which operate on a single sequence of data tokens, we divide the data tokens into groups, with each group being a shorter sequence of tokens. We employ two types of transformer layers: local layers operate on data tokens within each group, while global layers operate on a smaller set of introduced latent tokens. These layers, comprising the same set of self-attention and feed-forward layers as standard transformers, are interleaved, and cross-attention is used to facilitate information exchange between data and latent tokens within the same group. The attention complexity is O(n^2) locally within each group of size n, but can reach O(L^{{4}/{3}}) globally for sequence length of L. The efficiency can be further enhanced by relying more on global layers that perform adaptive computation using a smaller set of latent tokens. FIT is a versatile architecture and can function as an encoder, diffusion decoder, or autoregressive decoder. We provide initial evidence demonstrating its effectiveness in high-resolution image understanding and generation tasks. Notably, FIT exhibits potential in performing end-to-end training on gigabit-scale data, such as 6400times6400 images, or 160K tokens (after patch tokenization), within a memory capacity of 16GB, without requiring specific optimizations or model parallelism.

Memorized Images in Diffusion Models share a Subspace that can be Located and Deleted

Large-scale text-to-image diffusion models excel in generating high-quality images from textual inputs, yet concerns arise as research indicates their tendency to memorize and replicate training data, raising We also addressed the issue of memorization in diffusion models, where models tend to replicate exact training samples raising copyright infringement and privacy issues. Efforts within the text-to-image community to address memorization explore causes such as data duplication, replicated captions, or trigger tokens, proposing per-prompt inference-time or training-time mitigation strategies. In this paper, we focus on the feed-forward layers and begin by contrasting neuron activations of a set of memorized and non-memorized prompts. Experiments reveal a surprising finding: many different sets of memorized prompts significantly activate a common subspace in the model, demonstrating, for the first time, that memorization in the diffusion models lies in a special subspace. Subsequently, we introduce a novel post-hoc method for editing pre-trained models, whereby memorization is mitigated through the straightforward pruning of weights in specialized subspaces, avoiding the need to disrupt the training or inference process as seen in prior research. Finally, we demonstrate the robustness of the pruned model against training data extraction attacks, thereby unveiling new avenues for a practical and one-for-all solution to memorization.

Effective Skill Unlearning through Intervention and Abstention

Large language Models (LLMs) have demonstrated remarkable skills across various domains. Understanding the mechanisms behind their abilities and implementing controls over them is becoming increasingly important for developing better models. In this paper, we focus on skill unlearning in LLMs, specifically unlearning a particular skill while retaining their overall capabilities. We introduce two lightweight, training-free machine skill unlearning techniques for LLMs. First, we observe that the pre-activation distribution of neurons in each Feed-Forward Layer (FFL) differs when the model demonstrates different skills. Additionally, we find that queries triggering the same skill cluster within the FFL key space and can be separated from other queries using a hypercube. Based on these observations, we propose two lightweight, training-free skill unlearning methods via intervention and abstention respectively: Neuron Adjust and Key Space Detection. We evaluate our methods on unlearning math-solving, Python-coding, and comprehension skills across seven different languages. The results demonstrate their strong unlearning capabilities for the designated skills. Specifically, Key Space Detection achieves over 80\% relative performance drop on the forgetting skill and less than 10\% relative performance drop on other skills and the model's general knowledge (MMLU) for most unlearning tasks. Our code is available at https://github.com/Trustworthy-ML-Lab/effective_skill_unlearning

HyperFormer: Enhancing Entity and Relation Interaction for Hyper-Relational Knowledge Graph Completion

Hyper-relational knowledge graphs (HKGs) extend standard knowledge graphs by associating attribute-value qualifiers to triples, which effectively represent additional fine-grained information about its associated triple. Hyper-relational knowledge graph completion (HKGC) aims at inferring unknown triples while considering its qualifiers. Most existing approaches to HKGC exploit a global-level graph structure to encode hyper-relational knowledge into the graph convolution message passing process. However, the addition of multi-hop information might bring noise into the triple prediction process. To address this problem, we propose HyperFormer, a model that considers local-level sequential information, which encodes the content of the entities, relations and qualifiers of a triple. More precisely, HyperFormer is composed of three different modules: an entity neighbor aggregator module allowing to integrate the information of the neighbors of an entity to capture different perspectives of it; a relation qualifier aggregator module to integrate hyper-relational knowledge into the corresponding relation to refine the representation of relational content; a convolution-based bidirectional interaction module based on a convolutional operation, capturing pairwise bidirectional interactions of entity-relation, entity-qualifier, and relation-qualifier. realize the depth perception of the content related to the current statement. Furthermore, we introduce a Mixture-of-Experts strategy into the feed-forward layers of HyperFormer to strengthen its representation capabilities while reducing the amount of model parameters and computation. Extensive experiments on three well-known datasets with four different conditions demonstrate HyperFormer's effectiveness. Datasets and code are available at https://github.com/zhiweihu1103/HKGC-HyperFormer.

From Language Modeling to Instruction Following: Understanding the Behavior Shift in LLMs after Instruction Tuning

Large Language Models (LLMs) have achieved remarkable success, demonstrating powerful instruction-following capabilities across diverse tasks. Instruction fine-tuning is critical in enabling LLMs to align with user intentions and effectively follow instructions. In this work, we investigate how instruction fine-tuning modifies pre-trained models, focusing on two perspectives: instruction recognition and knowledge evolution. To study the behavior shift of LLMs, we employ a suite of local and global explanation methods, including a gradient-based approach for input-output attribution and techniques for interpreting patterns and concepts in self-attention and feed-forward layers. Our findings reveal three significant impacts of instruction fine-tuning: 1) It empowers LLMs to better recognize the instruction parts from user prompts, thereby facilitating high-quality response generation and addressing the ``lost-in-the-middle'' issue observed in pre-trained models; 2) It aligns the knowledge stored in feed-forward layers with user-oriented tasks, exhibiting minimal shifts across linguistic levels. 3) It facilitates the learning of word-word relations with instruction verbs through the self-attention mechanism, particularly in the lower and middle layers, indicating enhanced recognition of instruction words. These insights contribute to a deeper understanding of the behavior shifts in LLMs after instruction fine-tuning and lay the groundwork for future research aimed at interpreting and optimizing LLMs for various applications. We will release our code and data soon.

StyleTalk: One-shot Talking Head Generation with Controllable Speaking Styles

Different people speak with diverse personalized speaking styles. Although existing one-shot talking head methods have made significant progress in lip sync, natural facial expressions, and stable head motions, they still cannot generate diverse speaking styles in the final talking head videos. To tackle this problem, we propose a one-shot style-controllable talking face generation framework. In a nutshell, we aim to attain a speaking style from an arbitrary reference speaking video and then drive the one-shot portrait to speak with the reference speaking style and another piece of audio. Specifically, we first develop a style encoder to extract dynamic facial motion patterns of a style reference video and then encode them into a style code. Afterward, we introduce a style-controllable decoder to synthesize stylized facial animations from the speech content and style code. In order to integrate the reference speaking style into generated videos, we design a style-aware adaptive transformer, which enables the encoded style code to adjust the weights of the feed-forward layers accordingly. Thanks to the style-aware adaptation mechanism, the reference speaking style can be better embedded into synthesized videos during decoding. Extensive experiments demonstrate that our method is capable of generating talking head videos with diverse speaking styles from only one portrait image and an audio clip while achieving authentic visual effects. Project Page: https://github.com/FuxiVirtualHuman/styletalk.

Forward Learning of Graph Neural Networks

Graph neural networks (GNNs) have achieved remarkable success across a wide range of applications, such as recommendation, drug discovery, and question answering. Behind the success of GNNs lies the backpropagation (BP) algorithm, which is the de facto standard for training deep neural networks (NNs). However, despite its effectiveness, BP imposes several constraints, which are not only biologically implausible, but also limit the scalability, parallelism, and flexibility in learning NNs. Examples of such constraints include storage of neural activities computed in the forward pass for use in the subsequent backward pass, and the dependence of parameter updates on non-local signals. To address these limitations, the forward-forward algorithm (FF) was recently proposed as an alternative to BP in the image classification domain, which trains NNs by performing two forward passes over positive and negative data. Inspired by this advance, we propose ForwardGNN in this work, a new forward learning procedure for GNNs, which avoids the constraints imposed by BP via an effective layer-wise local forward training. ForwardGNN extends the original FF to deal with graph data and GNNs, and makes it possible to operate without generating negative inputs (hence no longer forward-forward). Further, ForwardGNN enables each layer to learn from both the bottom-up and top-down signals without relying on the backpropagation of errors. Extensive experiments on real-world datasets show the effectiveness and generality of the proposed forward graph learning framework. We release our code at https://github.com/facebookresearch/forwardgnn.

Adding Gradient Noise Improves Learning for Very Deep Networks

Deep feedforward and recurrent networks have achieved impressive results in many perception and language processing applications. This success is partially attributed to architectural innovations such as convolutional and long short-term memory networks. The main motivation for these architectural innovations is that they capture better domain knowledge, and importantly are easier to optimize than more basic architectures. Recently, more complex architectures such as Neural Turing Machines and Memory Networks have been proposed for tasks including question answering and general computation, creating a new set of optimization challenges. In this paper, we discuss a low-overhead and easy-to-implement technique of adding gradient noise which we find to be surprisingly effective when training these very deep architectures. The technique not only helps to avoid overfitting, but also can result in lower training loss. This method alone allows a fully-connected 20-layer deep network to be trained with standard gradient descent, even starting from a poor initialization. We see consistent improvements for many complex models, including a 72% relative reduction in error rate over a carefully-tuned baseline on a challenging question-answering task, and a doubling of the number of accurate binary multiplication models learned across 7,000 random restarts. We encourage further application of this technique to additional complex modern architectures.

Backpropagation-free Training of Deep Physical Neural Networks

Recent years have witnessed the outstanding success of deep learning in various fields such as vision and natural language processing. This success is largely indebted to the massive size of deep learning models that is expected to increase unceasingly. This growth of the deep learning models is accompanied by issues related to their considerable energy consumption, both during the training and inference phases, as well as their scalability. Although a number of work based on unconventional physical systems have been proposed which addresses the issue of energy efficiency in the inference phase, efficient training of deep learning models has remained unaddressed. So far, training of digital deep learning models mainly relies on backpropagation, which is not suitable for physical implementation as it requires perfect knowledge of the computation performed in the so-called forward pass of the neural network. Here, we tackle this issue by proposing a simple deep neural network architecture augmented by a biologically plausible learning algorithm, referred to as "model-free forward-forward training". The proposed architecture enables training deep physical neural networks consisting of layers of physical nonlinear systems, without requiring detailed knowledge of the nonlinear physical layers' properties. We show that our method outperforms state-of-the-art hardware-aware training methods by improving training speed, decreasing digital computations, and reducing power consumption in physical systems. We demonstrate the adaptability of the proposed method, even in systems exposed to dynamic or unpredictable external perturbations. To showcase the universality of our approach, we train diverse wave-based physical neural networks that vary in the underlying wave phenomenon and the type of non-linearity they use, to perform vowel and image classification tasks experimentally.

NoProp: Training Neural Networks without Back-propagation or Forward-propagation

The canonical deep learning approach for learning requires computing a gradient term at each layer by back-propagating the error signal from the output towards each learnable parameter. Given the stacked structure of neural networks, where each layer builds on the representation of the layer below, this approach leads to hierarchical representations. More abstract features live on the top layers of the model, while features on lower layers are expected to be less abstract. In contrast to this, we introduce a new learning method named NoProp, which does not rely on either forward or backwards propagation. Instead, NoProp takes inspiration from diffusion and flow matching methods, where each layer independently learns to denoise a noisy target. We believe this work takes a first step towards introducing a new family of gradient-free learning methods, that does not learn hierarchical representations -- at least not in the usual sense. NoProp needs to fix the representation at each layer beforehand to a noised version of the target, learning a local denoising process that can then be exploited at inference. We demonstrate the effectiveness of our method on MNIST, CIFAR-10, and CIFAR-100 image classification benchmarks. Our results show that NoProp is a viable learning algorithm which achieves superior accuracy, is easier to use and computationally more efficient compared to other existing back-propagation-free methods. By departing from the traditional gradient based learning paradigm, NoProp alters how credit assignment is done within the network, enabling more efficient distributed learning as well as potentially impacting other characteristics of the learning process.

Rethinking Supervised Pre-training for Better Downstream Transferring

The pretrain-finetune paradigm has shown outstanding performance on many applications of deep learning, where a model is pre-trained on a upstream large dataset (e.g. ImageNet), and is then fine-tuned to different downstream tasks. Though for most cases, the pre-training stage is conducted based on supervised methods, recent works on self-supervised pre-training have shown powerful transferability and even outperform supervised pre-training on multiple downstream tasks. It thus remains an open question how to better generalize supervised pre-training model to downstream tasks. In this paper, we argue that the worse transferability of existing supervised pre-training methods arise from the negligence of valuable intra-class semantic difference. This is because these methods tend to push images from the same class close to each other despite of the large diversity in their visual contents, a problem to which referred as "overfit of upstream tasks". To alleviate this problem, we propose a new supervised pre-training method based on Leave-One-Out K-Nearest-Neighbor, or LOOK for short. It relieves the problem of overfitting upstream tasks by only requiring each image to share its class label with most of its k nearest neighbors, thus allowing each class to exhibit a multi-mode distribution and consequentially preserving part of intra-class difference for better transferring to downstream tasks. We developed efficient implementation of the proposed method that scales well to large datasets. Experimental studies on multiple downstream tasks show that LOOK outperforms other state-of-the-art methods for supervised and self-supervised pre-training.

Activation Space Selectable Kolmogorov-Arnold Networks

The multilayer perceptron (MLP), a fundamental paradigm in current artificial intelligence, is widely applied in fields such as computer vision and natural language processing. However, the recently proposed Kolmogorov-Arnold Network (KAN), based on nonlinear additive connections, has been proven to achieve performance comparable to MLPs with significantly fewer parameters. Despite this potential, the use of a single activation function space results in reduced performance of KAN and related works across different tasks. To address this issue, we propose an activation space Selectable KAN (S-KAN). S-KAN employs an adaptive strategy to choose the possible activation mode for data at each feedforward KAN node. Our approach outperforms baseline methods in seven representative function fitting tasks and significantly surpasses MLP methods with the same level of parameters. Furthermore, we extend the structure of S-KAN and propose an activation space selectable Convolutional KAN (S-ConvKAN), which achieves leading results on four general image classification datasets. Our method mitigates the performance variability of the original KAN across different tasks and demonstrates through extensive experiments that feedforward KANs with selectable activations can achieve or even exceed the performance of MLP-based methods. This work contributes to the understanding of the data-centric design of new AI paradigms and provides a foundational reference for innovations in KAN-based network architectures.

Investigating the Benefits of Projection Head for Representation Learning

An effective technique for obtaining high-quality representations is adding a projection head on top of the encoder during training, then discarding it and using the pre-projection representations. Despite its proven practical effectiveness, the reason behind the success of this technique is poorly understood. The pre-projection representations are not directly optimized by the loss function, raising the question: what makes them better? In this work, we provide a rigorous theoretical answer to this question. We start by examining linear models trained with self-supervised contrastive loss. We reveal that the implicit bias of training algorithms leads to layer-wise progressive feature weighting, where features become increasingly unequal as we go deeper into the layers. Consequently, lower layers tend to have more normalized and less specialized representations. We theoretically characterize scenarios where such representations are more beneficial, highlighting the intricate interplay between data augmentation and input features. Additionally, we demonstrate that introducing non-linearity into the network allows lower layers to learn features that are completely absent in higher layers. Finally, we show how this mechanism improves the robustness in supervised contrastive learning and supervised learning. We empirically validate our results through various experiments on CIFAR-10/100, UrbanCars and shifted versions of ImageNet. We also introduce a potential alternative to projection head, which offers a more interpretable and controllable design.

Safety Verification of Deep Neural Networks

Deep neural networks have achieved impressive experimental results in image classification, but can surprisingly be unstable with respect to adversarial perturbations, that is, minimal changes to the input image that cause the network to misclassify it. With potential applications including perception modules and end-to-end controllers for self-driving cars, this raises concerns about their safety. We develop a novel automated verification framework for feed-forward multi-layer neural networks based on Satisfiability Modulo Theory (SMT). We focus on safety of image classification decisions with respect to image manipulations, such as scratches or changes to camera angle or lighting conditions that would result in the same class being assigned by a human, and define safety for an individual decision in terms of invariance of the classification within a small neighbourhood of the original image. We enable exhaustive search of the region by employing discretisation, and propagate the analysis layer by layer. Our method works directly with the network code and, in contrast to existing methods, can guarantee that adversarial examples, if they exist, are found for the given region and family of manipulations. If found, adversarial examples can be shown to human testers and/or used to fine-tune the network. We implement the techniques using Z3 and evaluate them on state-of-the-art networks, including regularised and deep learning networks. We also compare against existing techniques to search for adversarial examples and estimate network robustness.

Inception Transformer

Recent studies show that Transformer has strong capability of building long-range dependencies, yet is incompetent in capturing high frequencies that predominantly convey local information. To tackle this issue, we present a novel and general-purpose Inception Transformer, or iFormer for short, that effectively learns comprehensive features with both high- and low-frequency information in visual data. Specifically, we design an Inception mixer to explicitly graft the advantages of convolution and max-pooling for capturing the high-frequency information to Transformers. Different from recent hybrid frameworks, the Inception mixer brings greater efficiency through a channel splitting mechanism to adopt parallel convolution/max-pooling path and self-attention path as high- and low-frequency mixers, while having the flexibility to model discriminative information scattered within a wide frequency range. Considering that bottom layers play more roles in capturing high-frequency details while top layers more in modeling low-frequency global information, we further introduce a frequency ramp structure, i.e. gradually decreasing the dimensions fed to the high-frequency mixer and increasing those to the low-frequency mixer, which can effectively trade-off high- and low-frequency components across different layers. We benchmark the iFormer on a series of vision tasks, and showcase that it achieves impressive performance on image classification, COCO detection and ADE20K segmentation. For example, our iFormer-S hits the top-1 accuracy of 83.4% on ImageNet-1K, much higher than DeiT-S by 3.6%, and even slightly better than much bigger model Swin-B (83.3%) with only 1/4 parameters and 1/3 FLOPs. Code and models will be released at https://github.com/sail-sg/iFormer.

Duo-LLM: A Framework for Studying Adaptive Computation in Large Language Models

Large Language Models (LLMs) typically generate outputs token by token using a fixed compute budget, leading to inefficient resource utilization. To address this shortcoming, recent advancements in mixture of expert (MoE) models, speculative decoding, and early exit strategies leverage the insight that computational demands can vary significantly based on the complexity and nature of the input. However, identifying optimal routing patterns for dynamic execution remains an open challenge, limiting the full potential of these adaptive methods. To address this need, we study adaptive computation in LLMs more systematically. We propose a novel framework that integrates smaller auxiliary modules within each Feed-Forward Network layer of the LLM. This design enables dynamic routing of tokens based on task complexity: tokens can be processed by either the small or big modules at each layer, or even bypass certain layers entirely. This allows us to introduce a novel notion of a token's difficulty, defined by its potential to benefit from additional computational resources. Importantly, by employing oracles to identify optimal patterns of adaptive computations, we gain valuable insights into the internal workings of LLMs and the routing processes in a simplified heterogeneous MoE setup. We show that trained routers operate differently from oracles and often yield suboptimal solutions. Notably, activating a large module in just one layer outperforms models that use large modules across all layers, underscoring the gap between practical implementations of routing in MoE models and theoretical optima for adaptive computation.

TrAct: Making First-layer Pre-Activations Trainable

We consider the training of the first layer of vision models and notice the clear relationship between pixel values and gradient update magnitudes: the gradients arriving at the weights of a first layer are by definition directly proportional to (normalized) input pixel values. Thus, an image with low contrast has a smaller impact on learning than an image with higher contrast, and a very bright or very dark image has a stronger impact on the weights than an image with moderate brightness. In this work, we propose performing gradient descent on the embeddings produced by the first layer of the model. However, switching to discrete inputs with an embedding layer is not a reasonable option for vision models. Thus, we propose the conceptual procedure of (i) a gradient descent step on first layer activations to construct an activation proposal, and (ii) finding the optimal weights of the first layer, i.e., those weights which minimize the squared distance to the activation proposal. We provide a closed form solution of the procedure and adjust it for robust stochastic training while computing everything efficiently. Empirically, we find that TrAct (Training Activations) speeds up training by factors between 1.25x and 4x while requiring only a small computational overhead. We demonstrate the utility of TrAct with different optimizers for a range of different vision models including convolutional and transformer architectures.

Sequential Training of Neural Networks with Gradient Boosting

This paper presents a novel technique based on gradient boosting to train the final layers of a neural network (NN). Gradient boosting is an additive expansion algorithm in which a series of models are trained sequentially to approximate a given function. A neural network can also be seen as an additive expansion where the scalar product of the responses of the last hidden layer and its weights provide the final output of the network. Instead of training the network as a whole, the proposed algorithm trains the network sequentially in T steps. First, the bias term of the network is initialized with a constant approximation that minimizes the average loss of the data. Then, at each step, a portion of the network, composed of J neurons, is trained to approximate the pseudo-residuals on the training data computed from the previous iterations. Finally, the T partial models and bias are integrated as a single NN with T times J neurons in the hidden layer. Extensive experiments in classification and regression tasks, as well as in combination with deep neural networks, are carried out showing a competitive generalization performance with respect to neural networks trained with different standard solvers, such as Adam, L-BFGS, SGD and deep models. Furthermore, we show that the proposed method design permits to switch off a number of hidden units during test (the units that were last trained) without a significant reduction of its generalization ability. This permits the adaptation of the model to different classification speed requirements on the fly.

Deep Learning for Case-Based Reasoning through Prototypes: A Neural Network that Explains Its Predictions

Deep neural networks are widely used for classification. These deep models often suffer from a lack of interpretability -- they are particularly difficult to understand because of their non-linear nature. As a result, neural networks are often treated as "black box" models, and in the past, have been trained purely to optimize the accuracy of predictions. In this work, we create a novel network architecture for deep learning that naturally explains its own reasoning for each prediction. This architecture contains an autoencoder and a special prototype layer, where each unit of that layer stores a weight vector that resembles an encoded training input. The encoder of the autoencoder allows us to do comparisons within the latent space, while the decoder allows us to visualize the learned prototypes. The training objective has four terms: an accuracy term, a term that encourages every prototype to be similar to at least one encoded input, a term that encourages every encoded input to be close to at least one prototype, and a term that encourages faithful reconstruction by the autoencoder. The distances computed in the prototype layer are used as part of the classification process. Since the prototypes are learned during training, the learned network naturally comes with explanations for each prediction, and the explanations are loyal to what the network actually computes.

Scaling MLPs: A Tale of Inductive Bias

In this work we revisit the most fundamental building block in deep learning, the multi-layer perceptron (MLP), and study the limits of its performance on vision tasks. Empirical insights into MLPs are important for multiple reasons. (1) Given the recent narrative "less inductive bias is better", popularized due to transformers eclipsing convolutional models, it is natural to explore the limits of this hypothesis. To that end, MLPs offer an ideal test bed, being completely free of any inductive bias. (2) MLPs have almost exclusively been the main protagonist in the deep learning theory literature due to their mathematical simplicity, serving as a proxy to explain empirical phenomena observed for more complex architectures. Surprisingly, experimental datapoints for MLPs are very difficult to find in the literature, especially when coupled with large pre-training protocols. This discrepancy between practice and theory is worrying: Do MLPs reflect the empirical advances exhibited by practical models? Or do theorists need to rethink the role of MLPs as a proxy? We provide insights into both these aspects. We show that the performance of MLPs drastically improves with scale (93% on CIFAR10, 79% on CIFAR100, 69% on TinyImageNet), highlighting that lack of inductive bias can indeed be compensated. We observe that MLPs mimic the behaviour of their modern counterparts faithfully, with some components in the learning setting however surprisingly exhibiting stronger or unexpected behaviours. Due to their inherent computational efficiency, large pre-training experiments become more accessible for academic researchers. All of our experiments were run on a single GPU.

Exploring Learngene via Stage-wise Weight Sharing for Initializing Variable-sized Models

In practice, we usually need to build variable-sized models adapting for diverse resource constraints in different application scenarios, where weight initialization is an important step prior to training. The Learngene framework, introduced recently, firstly learns one compact part termed as learngene from a large well-trained model, after which learngene is expanded to initialize variable-sized models. In this paper, we start from analysing the importance of guidance for the expansion of well-trained learngene layers, inspiring the design of a simple but highly effective Learngene approach termed SWS (Stage-wise Weight Sharing), where both learngene layers and their learning process critically contribute to providing knowledge and guidance for initializing models at varying scales. Specifically, to learn learngene layers, we build an auxiliary model comprising multiple stages where the layer weights in each stage are shared, after which we train it through distillation. Subsequently, we expand these learngene layers containing stage information at their corresponding stage to initialize models of variable depths. Extensive experiments on ImageNet-1K demonstrate that SWS achieves consistent better performance compared to many models trained from scratch, while reducing around 6.6x total training costs. In some cases, SWS performs better only after 1 epoch tuning. When initializing variable-sized models adapting for different resource constraints, SWS achieves better results while reducing around 20x parameters stored to initialize these models and around 10x pre-training costs, in contrast to the pre-training and fine-tuning approach.

Can bidirectional encoder become the ultimate winner for downstream applications of foundation models?

Over the past few decades, Artificial Intelligence(AI) has progressed from the initial machine learning stage to the deep learning stage, and now to the stage of foundational models. Foundational models have the characteristics of pre-training, transfer learning, and self-supervised learning, and pre-trained models can be fine-tuned and applied to various downstream tasks. Under the framework of foundational models, models such as Bidirectional Encoder Representations from Transformers(BERT) and Generative Pre-trained Transformer(GPT) have greatly advanced the development of natural language processing(NLP), especially the emergence of many models based on BERT. BERT broke through the limitation of only using one-way methods for language modeling in pre-training by using a masked language model. It can capture bidirectional context information to predict the masked words in the sequence, this can improve the feature extraction ability of the model. This makes the model very useful for downstream tasks, especially for specialized applications. The model using the bidirectional encoder can better understand the domain knowledge and be better applied to these downstream tasks. So we hope to help understand how this technology has evolved and improved model performance in various natural language processing tasks under the background of foundational models and reveal its importance in capturing context information and improving the model's performance on downstream tasks. This article analyzes one-way and bidirectional models based on GPT and BERT and compares their differences based on the purpose of the model. It also briefly analyzes BERT and the improvements of some models based on BERT. The model's performance on the Stanford Question Answering Dataset(SQuAD) and General Language Understanding Evaluation(GLUE) was compared.

Fréchet Cumulative Covariance Net for Deep Nonlinear Sufficient Dimension Reduction with Random Objects

Nonlinear sufficient dimension reductionlibing_generalSDR, which constructs nonlinear low-dimensional representations to summarize essential features of high-dimensional data, is an important branch of representation learning. However, most existing methods are not applicable when the response variables are complex non-Euclidean random objects, which are frequently encountered in many recent statistical applications. In this paper, we introduce a new statistical dependence measure termed Fr\'echet Cumulative Covariance (FCCov) and develop a novel nonlinear SDR framework based on FCCov. Our approach is not only applicable to complex non-Euclidean data, but also exhibits robustness against outliers. We further incorporate Feedforward Neural Networks (FNNs) and Convolutional Neural Networks (CNNs) to estimate nonlinear sufficient directions in the sample level. Theoretically, we prove that our method with squared Frobenius norm regularization achieves unbiasedness at the sigma-field level. Furthermore, we establish non-asymptotic convergence rates for our estimators based on FNNs and ResNet-type CNNs, which match the minimax rate of nonparametric regression up to logarithmic factors. Intensive simulation studies verify the performance of our methods in both Euclidean and non-Euclidean settings. We apply our method to facial expression recognition datasets and the results underscore more realistic and broader applicability of our proposal.

Deep Interest Network for Click-Through Rate Prediction

Click-through rate prediction is an essential task in industrial applications, such as online advertising. Recently deep learning based models have been proposed, which follow a similar Embedding\&MLP paradigm. In these methods large scale sparse input features are first mapped into low dimensional embedding vectors, and then transformed into fixed-length vectors in a group-wise manner, finally concatenated together to fed into a multilayer perceptron (MLP) to learn the nonlinear relations among features. In this way, user features are compressed into a fixed-length representation vector, in regardless of what candidate ads are. The use of fixed-length vector will be a bottleneck, which brings difficulty for Embedding\&MLP methods to capture user's diverse interests effectively from rich historical behaviors. In this paper, we propose a novel model: Deep Interest Network (DIN) which tackles this challenge by designing a local activation unit to adaptively learn the representation of user interests from historical behaviors with respect to a certain ad. This representation vector varies over different ads, improving the expressive ability of model greatly. Besides, we develop two techniques: mini-batch aware regularization and data adaptive activation function which can help training industrial deep networks with hundreds of millions of parameters. Experiments on two public datasets as well as an Alibaba real production dataset with over 2 billion samples demonstrate the effectiveness of proposed approaches, which achieve superior performance compared with state-of-the-art methods. DIN now has been successfully deployed in the online display advertising system in Alibaba, serving the main traffic.

MossFormer2: Combining Transformer and RNN-Free Recurrent Network for Enhanced Time-Domain Monaural Speech Separation

Our previously proposed MossFormer has achieved promising performance in monaural speech separation. However, it predominantly adopts a self-attention-based MossFormer module, which tends to emphasize longer-range, coarser-scale dependencies, with a deficiency in effectively modelling finer-scale recurrent patterns. In this paper, we introduce a novel hybrid model that provides the capabilities to model both long-range, coarse-scale dependencies and fine-scale recurrent patterns by integrating a recurrent module into the MossFormer framework. Instead of applying the recurrent neural networks (RNNs) that use traditional recurrent connections, we present a recurrent module based on a feedforward sequential memory network (FSMN), which is considered "RNN-free" recurrent network due to the ability to capture recurrent patterns without using recurrent connections. Our recurrent module mainly comprises an enhanced dilated FSMN block by using gated convolutional units (GCU) and dense connections. In addition, a bottleneck layer and an output layer are also added for controlling information flow. The recurrent module relies on linear projections and convolutions for seamless, parallel processing of the entire sequence. The integrated MossFormer2 hybrid model demonstrates remarkable enhancements over MossFormer and surpasses other state-of-the-art methods in WSJ0-2/3mix, Libri2Mix, and WHAM!/WHAMR! benchmarks.

Future Token Prediction -- Causal Language Modelling with Per-Token Semantic State Vector for Multi-Token Prediction

Causal decoder-only transformer models used for generative language modelling, such as Generative Pre-trained Transformers (GPT), are trained to predict the next token in a sequence based only on its previous tokens. Despite this simple training objective, they have proved to be powerful AI tools. However, only predicting the next token results in top layer embedding vectors that are highly token-focused. There may be benefits in generating embedding vectors at each token position that better capture the overall meaning of longer sequences of future text. Recent studies matching brain scans with deep language models suggest that humans also predict upcoming words when listening or reading but consider multiple future tokens rather than just one. This research investigates a new pretraining method called Future Token Prediction (FTP). In FTP, a large transformer encoder generates top layer embedding vectors for each token position, which, instead of being passed to a language head, are linearly and expansively projected to a pseudo-sequence, which is cross attended to by a small transformer decoder to predict the next N tokens forward from that position in the sequence. The top layer embedding vectors from FTP models exhibit distinct properties compared to those from standard GPT models, varying smoothly along a text sequence as measured by cosine similarity between adjacent tokens. Text generated by FTP models show improved topic coherence compared to standard GPT-like models trained with the same prediction perplexity for the next single token. The vectors are shown to better represent the topic of text based on the results of text classification examples. On a toy, but complex, coding problem, FTP networks produce significantly better results than GPT networks.

Large Batch Optimization for Deep Learning: Training BERT in 76 minutes

Training large deep neural networks on massive datasets is computationally very challenging. There has been recent surge in interest in using large batch stochastic optimization methods to tackle this issue. The most prominent algorithm in this line of research is LARS, which by employing layerwise adaptive learning rates trains ResNet on ImageNet in a few minutes. However, LARS performs poorly for attention models like BERT, indicating that its performance gains are not consistent across tasks. In this paper, we first study a principled layerwise adaptation strategy to accelerate training of deep neural networks using large mini-batches. Using this strategy, we develop a new layerwise adaptive large batch optimization technique called LAMB; we then provide convergence analysis of LAMB as well as LARS, showing convergence to a stationary point in general nonconvex settings. Our empirical results demonstrate the superior performance of LAMB across various tasks such as BERT and ResNet-50 training with very little hyperparameter tuning. In particular, for BERT training, our optimizer enables use of very large batch sizes of 32868 without any degradation of performance. By increasing the batch size to the memory limit of a TPUv3 Pod, BERT training time can be reduced from 3 days to just 76 minutes (Table 1). The LAMB implementation is available at https://github.com/tensorflow/addons/blob/master/tensorflow_addons/optimizers/lamb.py

Unfolding AIS transmission behavior for vessel movement modeling on noisy data leveraging machine learning

The oceans are a source of an impressive mixture of complex data that could be used to uncover relationships yet to be discovered. Such data comes from the oceans and their surface, such as Automatic Identification System (AIS) messages used for tracking vessels' trajectories. AIS messages are transmitted over radio or satellite at ideally periodic time intervals but vary irregularly over time. As such, this paper aims to model the AIS message transmission behavior through neural networks for forecasting upcoming AIS messages' content from multiple vessels, particularly in a simultaneous approach despite messages' temporal irregularities as outliers. We present a set of experiments comprising multiple algorithms for forecasting tasks with horizon sizes of varying lengths. Deep learning models (e.g., neural networks) revealed themselves to adequately preserve vessels' spatial awareness regardless of temporal irregularity. We show how convolutional layers, feed-forward networks, and recurrent neural networks can improve such tasks by working together. Experimenting with short, medium, and large-sized sequences of messages, our model achieved 36/37/38% of the Relative Percentage Difference - the lower, the better, whereas we observed 92/45/96% on the Elman's RNN, 51/52/40% on the GRU, and 129/98/61% on the LSTM. These results support our model as a driver for improving the prediction of vessel routes when analyzing multiple vessels of diverging types simultaneously under temporally noise data.

Adaptive Frequency Filters As Efficient Global Token Mixers

Recent vision transformers, large-kernel CNNs and MLPs have attained remarkable successes in broad vision tasks thanks to their effective information fusion in the global scope. However, their efficient deployments, especially on mobile devices, still suffer from noteworthy challenges due to the heavy computational costs of self-attention mechanisms, large kernels, or fully connected layers. In this work, we apply conventional convolution theorem to deep learning for addressing this and reveal that adaptive frequency filters can serve as efficient global token mixers. With this insight, we propose Adaptive Frequency Filtering (AFF) token mixer. This neural operator transfers a latent representation to the frequency domain via a Fourier transform and performs semantic-adaptive frequency filtering via an elementwise multiplication, which mathematically equals to a token mixing operation in the original latent space with a dynamic convolution kernel as large as the spatial resolution of this latent representation. We take AFF token mixers as primary neural operators to build a lightweight neural network, dubbed AFFNet. Extensive experiments demonstrate the effectiveness of our proposed AFF token mixer and show that AFFNet achieve superior accuracy and efficiency trade-offs compared to other lightweight network designs on broad visual tasks, including visual recognition and dense prediction tasks.

MetaFormer Is Actually What You Need for Vision

Transformers have shown great potential in computer vision tasks. A common belief is their attention-based token mixer module contributes most to their competence. However, recent works show the attention-based module in Transformers can be replaced by spatial MLPs and the resulted models still perform quite well. Based on this observation, we hypothesize that the general architecture of the Transformers, instead of the specific token mixer module, is more essential to the model's performance. To verify this, we deliberately replace the attention module in Transformers with an embarrassingly simple spatial pooling operator to conduct only basic token mixing. Surprisingly, we observe that the derived model, termed as PoolFormer, achieves competitive performance on multiple computer vision tasks. For example, on ImageNet-1K, PoolFormer achieves 82.1% top-1 accuracy, surpassing well-tuned Vision Transformer/MLP-like baselines DeiT-B/ResMLP-B24 by 0.3%/1.1% accuracy with 35%/52% fewer parameters and 50%/62% fewer MACs. The effectiveness of PoolFormer verifies our hypothesis and urges us to initiate the concept of "MetaFormer", a general architecture abstracted from Transformers without specifying the token mixer. Based on the extensive experiments, we argue that MetaFormer is the key player in achieving superior results for recent Transformer and MLP-like models on vision tasks. This work calls for more future research dedicated to improving MetaFormer instead of focusing on the token mixer modules. Additionally, our proposed PoolFormer could serve as a starting baseline for future MetaFormer architecture design. Code is available at https://github.com/sail-sg/poolformer.

RaftMLP: How Much Can Be Done Without Attention and with Less Spatial Locality?

For the past ten years, CNN has reigned supreme in the world of computer vision, but recently, Transformer has been on the rise. However, the quadratic computational cost of self-attention has become a serious problem in practice applications. There has been much research on architectures without CNN and self-attention in this context. In particular, MLP-Mixer is a simple architecture designed using MLPs and hit an accuracy comparable to the Vision Transformer. However, the only inductive bias in this architecture is the embedding of tokens. This leaves open the possibility of incorporating a non-convolutional (or non-local) inductive bias into the architecture, so we used two simple ideas to incorporate inductive bias into the MLP-Mixer while taking advantage of its ability to capture global correlations. A way is to divide the token-mixing block vertically and horizontally. Another way is to make spatial correlations denser among some channels of token-mixing. With this approach, we were able to improve the accuracy of the MLP-Mixer while reducing its parameters and computational complexity. The small model that is RaftMLP-S is comparable to the state-of-the-art global MLP-based model in terms of parameters and efficiency per calculation. In addition, we tackled the problem of fixed input image resolution for global MLP-based models by utilizing bicubic interpolation. We demonstrated that these models could be applied as the backbone of architectures for downstream tasks such as object detection. However, it did not have significant performance and mentioned the need for MLP-specific architectures for downstream tasks for global MLP-based models. The source code in PyTorch version is available at https://github.com/okojoalg/raft-mlp.

BiPFT: Binary Pre-trained Foundation Transformer with Low-rank Estimation of Binarization Residual Polynomials

Pretrained foundation models offer substantial benefits for a wide range of downstream tasks, which can be one of the most potential techniques to access artificial general intelligence. However, scaling up foundation transformers for maximal task-agnostic knowledge has brought about computational challenges, especially on resource-limited devices such as mobiles. This work proposes the first Binary Pretrained Foundation Transformer (BiPFT) for natural language understanding (NLU) tasks, which remarkably saves 56 times operations and 28 times memory. In contrast to previous task-specific binary transformers, BiPFT exhibits a substantial enhancement in the learning capabilities of binary neural networks (BNNs), promoting BNNs into the era of pre-training. Benefiting from extensive pretraining data, we further propose a data-driven binarization method. Specifically, we first analyze the binarization error in self-attention operations and derive the polynomials of binarization error. To simulate full-precision self-attention, we define binarization error as binarization residual polynomials, and then introduce low-rank estimators to model these polynomials. Extensive experiments validate the effectiveness of BiPFTs, surpassing task-specific baseline by 15.4% average performance on the GLUE benchmark. BiPFT also demonstrates improved robustness to hyperparameter changes, improved optimization efficiency, and reduced reliance on downstream distillation, which consequently generalize on various NLU tasks and simplify the downstream pipeline of BNNs. Our code and pretrained models are publicly available at https://github.com/Xingrun-Xing/BiPFT.

Discovering Influential Neuron Path in Vision Transformers

Vision Transformer models exhibit immense power yet remain opaque to human understanding, posing challenges and risks for practical applications. While prior research has attempted to demystify these models through input attribution and neuron role analysis, there's been a notable gap in considering layer-level information and the holistic path of information flow across layers. In this paper, we investigate the significance of influential neuron paths within vision Transformers, which is a path of neurons from the model input to output that impacts the model inference most significantly. We first propose a joint influence measure to assess the contribution of a set of neurons to the model outcome. And we further provide a layer-progressive neuron locating approach that efficiently selects the most influential neuron at each layer trying to discover the crucial neuron path from input to output within the target model. Our experiments demonstrate the superiority of our method finding the most influential neuron path along which the information flows, over the existing baseline solutions. Additionally, the neuron paths have illustrated that vision Transformers exhibit some specific inner working mechanism for processing the visual information within the same image category. We further analyze the key effects of these neurons on the image classification task, showcasing that the found neuron paths have already preserved the model capability on downstream tasks, which may also shed some lights on real-world applications like model pruning. The project website including implementation code is available at https://foundation-model-research.github.io/NeuronPath/.

Wide and Deep Neural Networks Achieve Optimality for Classification

While neural networks are used for classification tasks across domains, a long-standing open problem in machine learning is determining whether neural networks trained using standard procedures are optimal for classification, i.e., whether such models minimize the probability of misclassification for arbitrary data distributions. In this work, we identify and construct an explicit set of neural network classifiers that achieve optimality. Since effective neural networks in practice are typically both wide and deep, we analyze infinitely wide networks that are also infinitely deep. In particular, using the recent connection between infinitely wide neural networks and Neural Tangent Kernels, we provide explicit activation functions that can be used to construct networks that achieve optimality. Interestingly, these activation functions are simple and easy to implement, yet differ from commonly used activations such as ReLU or sigmoid. More generally, we create a taxonomy of infinitely wide and deep networks and show that these models implement one of three well-known classifiers depending on the activation function used: (1) 1-nearest neighbor (model predictions are given by the label of the nearest training example); (2) majority vote (model predictions are given by the label of the class with greatest representation in the training set); or (3) singular kernel classifiers (a set of classifiers containing those that achieve optimality). Our results highlight the benefit of using deep networks for classification tasks, in contrast to regression tasks, where excessive depth is harmful.

Dynamic Spectrum Mixer for Visual Recognition

Recently, MLP-based vision backbones have achieved promising performance in several visual recognition tasks. However, the existing MLP-based methods directly aggregate tokens with static weights, leaving the adaptability to different images untouched. Moreover, Recent research demonstrates that MLP-Transformer is great at creating long-range dependencies but ineffective at catching high frequencies that primarily transmit local information, which prevents it from applying to the downstream dense prediction tasks, such as semantic segmentation. To address these challenges, we propose a content-adaptive yet computationally efficient structure, dubbed Dynamic Spectrum Mixer (DSM). The DSM represents token interactions in the frequency domain by employing the Discrete Cosine Transform, which can learn long-term spatial dependencies with log-linear complexity. Furthermore, a dynamic spectrum weight generation layer is proposed as the spectrum bands selector, which could emphasize the informative frequency bands while diminishing others. To this end, the technique can efficiently learn detailed features from visual input that contains both high- and low-frequency information. Extensive experiments show that DSM is a powerful and adaptable backbone for a range of visual recognition tasks. Particularly, DSM outperforms previous transformer-based and MLP-based models, on image classification, object detection, and semantic segmentation tasks, such as 83.8 \% top-1 accuracy on ImageNet, and 49.9 \% mIoU on ADE20K.

A Unified Framework for Forward and Inverse Problems in Subsurface Imaging using Latent Space Translations

In subsurface imaging, learning the mapping from velocity maps to seismic waveforms (forward problem) and waveforms to velocity (inverse problem) is important for several applications. While traditional techniques for solving forward and inverse problems are computationally prohibitive, there is a growing interest in leveraging recent advances in deep learning to learn the mapping between velocity maps and seismic waveform images directly from data. Despite the variety of architectures explored in previous works, several open questions still remain unanswered such as the effect of latent space sizes, the importance of manifold learning, the complexity of translation models, and the value of jointly solving forward and inverse problems. We propose a unified framework to systematically characterize prior research in this area termed the Generalized Forward-Inverse (GFI) framework, building on the assumption of manifolds and latent space translations. We show that GFI encompasses previous works in deep learning for subsurface imaging, which can be viewed as specific instantiations of GFI. We also propose two new model architectures within the framework of GFI: Latent U-Net and Invertible X-Net, leveraging the power of U-Nets for domain translation and the ability of IU-Nets to simultaneously learn forward and inverse translations, respectively. We show that our proposed models achieve state-of-the-art (SOTA) performance for forward and inverse problems on a wide range of synthetic datasets, and also investigate their zero-shot effectiveness on two real-world-like datasets. Our code is available at https://github.com/KGML-lab/Generalized-Forward-Inverse-Framework-for-DL4SI

Peri-LN: Revisiting Layer Normalization in the Transformer Architecture

Designing Transformer architectures with the optimal layer normalization (LN) strategy that ensures large-scale training stability and expedite convergence has remained elusive, even in this era of large language models (LLMs). To this end, we present a comprehensive analytical foundation for understanding how different LN strategies influence training dynamics in large-scale Transformer training. Until recently, Pre-LN and Post-LN have long dominated standard practices despite their limitations in large-scale training. However, several open-source large-scale models have recently begun silently adopting a third strategy without much explanation. This strategy places layer normalization (LN) peripherally around sublayers, a design we term Peri-LN. While Peri-LN has demonstrated promising empirical performance, its precise mechanisms and benefits remain almost unexplored. Our in-depth analysis shows that Peri-LN strikes an ideal balance in variance growth -- unlike Pre-LN and Post-LN, which are prone to vanishing gradients and ``massive activations.'' To validate our theoretical insight, we conduct large-scale experiments on Transformers up to 3.2B parameters, showing that Peri-LN consistently achieves more balanced variance growth, steadier gradient flow, and convergence stability. Our results suggest that Peri-LN warrants broader consideration for large-scale Transformer architectures, providing renewed insights into the optimal placement and application of LN.

Training the Untrainable: Introducing Inductive Bias via Representational Alignment

We demonstrate that architectures which traditionally are considered to be ill-suited for a task can be trained using inductive biases from another architecture. Networks are considered untrainable when they overfit, underfit, or converge to poor results even when tuning their hyperparameters. For example, plain fully connected networks overfit on object recognition while deep convolutional networks without residual connections underfit. The traditional answer is to change the architecture to impose some inductive bias, although what that bias is remains unknown. We introduce guidance, where a guide network guides a target network using a neural distance function. The target is optimized to perform well and to match its internal representations, layer-by-layer, to those of the guide; the guide is unchanged. If the guide is trained, this transfers over part of the architectural prior and knowledge of the guide to the target. If the guide is untrained, this transfers over only part of the architectural prior of the guide. In this manner, we can investigate what kinds of priors different architectures place on untrainable networks such as fully connected networks. We demonstrate that this method overcomes the immediate overfitting of fully connected networks on vision tasks, makes plain CNNs competitive to ResNets, closes much of the gap between plain vanilla RNNs and Transformers, and can even help Transformers learn tasks which RNNs can perform more easily. We also discover evidence that better initializations of fully connected networks likely exist to avoid overfitting. Our method provides a mathematical tool to investigate priors and architectures, and in the long term, may demystify the dark art of architecture creation, even perhaps turning architectures into a continuous optimizable parameter of the network.

MAXIM: Multi-Axis MLP for Image Processing

Recent progress on Transformers and multi-layer perceptron (MLP) models provide new network architectural designs for computer vision tasks. Although these models proved to be effective in many vision tasks such as image recognition, there remain challenges in adapting them for low-level vision. The inflexibility to support high-resolution images and limitations of local attention are perhaps the main bottlenecks. In this work, we present a multi-axis MLP based architecture called MAXIM, that can serve as an efficient and flexible general-purpose vision backbone for image processing tasks. MAXIM uses a UNet-shaped hierarchical structure and supports long-range interactions enabled by spatially-gated MLPs. Specifically, MAXIM contains two MLP-based building blocks: a multi-axis gated MLP that allows for efficient and scalable spatial mixing of local and global visual cues, and a cross-gating block, an alternative to cross-attention, which accounts for cross-feature conditioning. Both these modules are exclusively based on MLPs, but also benefit from being both global and `fully-convolutional', two properties that are desirable for image processing. Our extensive experimental results show that the proposed MAXIM model achieves state-of-the-art performance on more than ten benchmarks across a range of image processing tasks, including denoising, deblurring, deraining, dehazing, and enhancement while requiring fewer or comparable numbers of parameters and FLOPs than competitive models. The source code and trained models will be available at https://github.com/google-research/maxim.

Opening the Black Box of Deep Neural Networks via Information

Despite their great success, there is still no comprehensive theoretical understanding of learning with Deep Neural Networks (DNNs) or their inner organization. Previous work proposed to analyze DNNs in the Information Plane; i.e., the plane of the Mutual Information values that each layer preserves on the input and output variables. They suggested that the goal of the network is to optimize the Information Bottleneck (IB) tradeoff between compression and prediction, successively, for each layer. In this work we follow up on this idea and demonstrate the effectiveness of the Information-Plane visualization of DNNs. Our main results are: (i) most of the training epochs in standard DL are spent on {\emph compression} of the input to efficient representation and not on fitting the training labels. (ii) The representation compression phase begins when the training errors becomes small and the Stochastic Gradient Decent (SGD) epochs change from a fast drift to smaller training error into a stochastic relaxation, or random diffusion, constrained by the training error value. (iii) The converged layers lie on or very close to the Information Bottleneck (IB) theoretical bound, and the maps from the input to any hidden layer and from this hidden layer to the output satisfy the IB self-consistent equations. This generalization through noise mechanism is unique to Deep Neural Networks and absent in one layer networks. (iv) The training time is dramatically reduced when adding more hidden layers. Thus the main advantage of the hidden layers is computational. This can be explained by the reduced relaxation time, as this it scales super-linearly (exponentially for simple diffusion) with the information compression from the previous layer.

Activator: GLU Activations as The Core Functions of a Vision Transformer

Transformer architecture currently represents the main driver behind many successes in a variety of tasks addressed by deep learning, especially the recent advances in natural language processing (NLP) culminating with large language models (LLM). In addition, transformer architecture has found a wide spread of interest from computer vision (CV) researchers and practitioners, allowing for many advancements in vision-related tasks and opening the door for multi-task and multi-modal deep learning architectures that share the same principle of operation. One drawback to these architectures is their reliance on the scaled dot product attention mechanism with the softmax activation function, which is computationally expensive and requires large compute capabilities both for training and inference. This paper investigates substituting the attention mechanism usually adopted for transformer architecture with an architecture incorporating gated linear unit (GLU) activation within a multi-layer perceptron (MLP) structure in conjunction with the default MLP incorporated in the traditional transformer design. Another step forward taken by this paper is to eliminate the second non-gated MLP to further reduce the computational cost. Experimental assessments conducted by this research show that both proposed modifications and reductions offer competitive performance in relation to baseline architectures, in support of the aims of this work in establishing a more efficient yet capable alternative to the traditional attention mechanism as the core component in designing transformer architectures.

ARFlow: Autogressive Flow with Hybrid Linear Attention

Flow models are effective at progressively generating realistic images, but they generally struggle to capture long-range dependencies during the generation process as they compress all the information from previous time steps into a single corrupted image. To address this limitation, we propose integrating autoregressive modeling -- known for its excellence in modeling complex, high-dimensional joint probability distributions -- into flow models. During training, at each step, we construct causally-ordered sequences by sampling multiple images from the same semantic category and applying different levels of noise, where images with higher noise levels serve as causal predecessors to those with lower noise levels. This design enables the model to learn broader category-level variations while maintaining proper causal relationships in the flow process. During generation, the model autoregressively conditions the previously generated images from earlier denoising steps, forming a contextual and coherent generation trajectory. Additionally, we design a customized hybrid linear attention mechanism tailored to our modeling approach to enhance computational efficiency. Our approach, termed ARFlow, under 400k training steps, achieves 14.08 FID scores on ImageNet at 128 * 128 without classifier-free guidance, reaching 4.34 FID with classifier-free guidance 1.5, significantly outperforming the previous flow-based model SiT's 9.17 FID. Extensive ablation studies demonstrate the effectiveness of our modeling strategy and chunk-wise attention design.

Fourier Head: Helping Large Language Models Learn Complex Probability Distributions

As the quality of large language models has improved, there has been increased interest in using them to model non-linguistic tokens. For example, the Decision Transformer recasts agentic decision making as a sequence modeling problem, using a decoder-only LLM to model the distribution over the discrete action space for an Atari agent. However, when adapting LLMs to non-linguistic domains, it remains unclear if softmax over discrete bins captures the continuous structure of the tokens and the potentially complex distributions needed for high quality token generation. We introduce a neural network layer, constructed using Fourier series, which we can easily substitute for any linear layer if we want the outputs to have a more continuous structure. We perform extensive analysis on synthetic datasets, as well as on large-scale decision making and time series forecasting tasks. We also provide theoretical evidence that this layer can better learn signal from data while ignoring high-frequency noise. All of our results support the effectiveness of our proposed Fourier head in scenarios where the underlying data distribution has a natural continuous structure. For example, the Fourier head improves a Decision Transformer agent's returns by 46% on the Atari Seaquest game, and increases a state-of-the-art times series foundation model's forecasting performance by 3.5% across 20 benchmarks unseen during training.

Anatomical Foundation Models for Brain MRIs

Deep Learning (DL) in neuroimaging has become increasingly relevant for detecting neurological conditions and neurodegenerative disorders. One of the most predominant biomarkers in neuroimaging is represented by brain age, which has been shown to be a good indicator for different conditions, such as Alzheimer's Disease. Using brain age for weakly supervised pre-training of DL models in transfer learning settings has also recently shown promising results, especially when dealing with data scarcity of different conditions. On the other hand, anatomical information of brain MRIs (e.g. cortical thickness) can provide important information for learning good representations that can be transferred to many downstream tasks. In this work, we propose AnatCL, an anatomical foundation model for brain MRIs that i.) leverages anatomical information in a weakly contrastive learning approach, and ii.) achieves state-of-the-art performances across many different downstream tasks. To validate our approach we consider 12 different downstream tasks for the diagnosis of different conditions such as Alzheimer's Disease, autism spectrum disorder, and schizophrenia. Furthermore, we also target the prediction of 10 different clinical assessment scores using structural MRI data. Our findings show that incorporating anatomical information during pre-training leads to more robust and generalizable representations. Pre-trained models can be found at: https://github.com/EIDOSLAB/AnatCL.

Exact Learning of Permutations for Nonzero Binary Inputs with Logarithmic Training Size and Quadratic Ensemble Complexity

The ability of an architecture to realize permutations is quite fundamental. For example, Large Language Models need to be able to correctly copy (and perhaps rearrange) parts of the input prompt into the output. Classical universal approximation theorems guarantee the existence of parameter configurations that solve this task but offer no insights into whether gradient-based algorithms can find them. In this paper, we address this gap by focusing on two-layer fully connected feed-forward neural networks and the task of learning permutations on nonzero binary inputs. We show that in the infinite width Neural Tangent Kernel (NTK) regime, an ensemble of such networks independently trained with gradient descent on only the k standard basis vectors out of 2^k - 1 possible inputs successfully learns any fixed permutation of length k with arbitrarily high probability. By analyzing the exact training dynamics, we prove that the network's output converges to a Gaussian process whose mean captures the ground truth permutation via sign-based features. We then demonstrate how averaging these runs (an "ensemble" method) and applying a simple rounding step yields an arbitrarily accurate prediction on any possible input unseen during training. Notably, the number of models needed to achieve exact learning with high probability (which we refer to as ensemble complexity) exhibits a linearithmic dependence on the input size k for a single test input and a quadratic dependence when considering all test inputs simultaneously.

When to Pre-Train Graph Neural Networks? From Data Generation Perspective!

In recent years, graph pre-training has gained significant attention, focusing on acquiring transferable knowledge from unlabeled graph data to improve downstream performance. Despite these recent endeavors, the problem of negative transfer remains a major concern when utilizing graph pre-trained models to downstream tasks. Previous studies made great efforts on the issue of what to pre-train and how to pre-train by designing a variety of graph pre-training and fine-tuning strategies. However, there are cases where even the most advanced "pre-train and fine-tune" paradigms fail to yield distinct benefits. This paper introduces a generic framework W2PGNN to answer the crucial question of when to pre-train (i.e., in what situations could we take advantage of graph pre-training) before performing effortful pre-training or fine-tuning. We start from a new perspective to explore the complex generative mechanisms from the pre-training data to downstream data. In particular, W2PGNN first fits the pre-training data into graphon bases, each element of graphon basis (i.e., a graphon) identifies a fundamental transferable pattern shared by a collection of pre-training graphs. All convex combinations of graphon bases give rise to a generator space, from which graphs generated form the solution space for those downstream data that can benefit from pre-training. In this manner, the feasibility of pre-training can be quantified as the generation probability of the downstream data from any generator in the generator space. W2PGNN offers three broad applications: providing the application scope of graph pre-trained models, quantifying the feasibility of pre-training, and assistance in selecting pre-training data to enhance downstream performance. We provide a theoretically sound solution for the first application and extensive empirical justifications for the latter two applications.

BT^2: Backward-compatible Training with Basis Transformation

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.

Neuro-Modulated Hebbian Learning for Fully Test-Time Adaptation

Fully test-time adaptation aims to adapt the network model based on sequential analysis of input samples during the inference stage to address the cross-domain performance degradation problem of deep neural networks. We take inspiration from the biological plausibility learning where the neuron responses are tuned based on a local synapse-change procedure and activated by competitive lateral inhibition rules. Based on these feed-forward learning rules, we design a soft Hebbian learning process which provides an unsupervised and effective mechanism for online adaptation. We observe that the performance of this feed-forward Hebbian learning for fully test-time adaptation can be significantly improved by incorporating a feedback neuro-modulation layer. It is able to fine-tune the neuron responses based on the external feedback generated by the error back-propagation from the top inference layers. This leads to our proposed neuro-modulated Hebbian learning (NHL) method for fully test-time adaptation. With the unsupervised feed-forward soft Hebbian learning being combined with a learned neuro-modulator to capture feedback from external responses, the source model can be effectively adapted during the testing process. Experimental results on benchmark datasets demonstrate that our proposed method can significantly improve the adaptation performance of network models and outperforms existing state-of-the-art methods.

Neural Circuit Architectural Priors for Embodied Control

Artificial neural networks for motor control usually adopt generic architectures like fully connected MLPs. While general, these tabula rasa architectures rely on large amounts of experience to learn, are not easily transferable to new bodies, and have internal dynamics that are difficult to interpret. In nature, animals are born with highly structured connectivity in their nervous systems shaped by evolution; this innate circuitry acts synergistically with learning mechanisms to provide inductive biases that enable most animals to function well soon after birth and learn efficiently. Convolutional networks inspired by visual circuitry have encoded useful biases for vision. However, it is unknown the extent to which ANN architectures inspired by neural circuitry can yield useful biases for other AI domains. In this work, we ask what advantages biologically inspired ANN architecture can provide in the domain of motor control. Specifically, we translate C. elegans locomotion circuits into an ANN model controlling a simulated Swimmer agent. On a locomotion task, our architecture achieves good initial performance and asymptotic performance comparable with MLPs, while dramatically improving data efficiency and requiring orders of magnitude fewer parameters. Our architecture is interpretable and transfers to new body designs. An ablation analysis shows that constrained excitation/inhibition is crucial for learning, while weight initialization contributes to good initial performance. Our work demonstrates several advantages of biologically inspired ANN architecture and encourages future work in more complex embodied control.

Understanding and Improving Transformer From a Multi-Particle Dynamic System Point of View

The Transformer architecture is widely used in natural language processing. Despite its success, the design principle of the Transformer remains elusive. In this paper, we provide a novel perspective towards understanding the architecture: we show that the Transformer can be mathematically interpreted as a numerical Ordinary Differential Equation (ODE) solver for a convection-diffusion equation in a multi-particle dynamic system. In particular, how words in a sentence are abstracted into contexts by passing through the layers of the Transformer can be interpreted as approximating multiple particles' movement in the space using the Lie-Trotter splitting scheme and the Euler's method. Given this ODE's perspective, the rich literature of numerical analysis can be brought to guide us in designing effective structures beyond the Transformer. As an example, we propose to replace the Lie-Trotter splitting scheme by the Strang-Marchuk splitting scheme, a scheme that is more commonly used and with much lower local truncation errors. The Strang-Marchuk splitting scheme suggests that the self-attention and position-wise feed-forward network (FFN) sub-layers should not be treated equally. Instead, in each layer, two position-wise FFN sub-layers should be used, and the self-attention sub-layer is placed in between. This leads to a brand new architecture. Such an FFN-attention-FFN layer is "Macaron-like", and thus we call the network with this new architecture the Macaron Net. Through extensive experiments, we show that the Macaron Net is superior to the Transformer on both supervised and unsupervised learning tasks. The reproducible codes and pretrained models can be found at https://github.com/zhuohan123/macaron-net

A Simple Baseline that Questions the Use of Pretrained-Models in Continual Learning

With the success of pretraining techniques in representation learning, a number of continual learning methods based on pretrained models have been proposed. Some of these methods design continual learning mechanisms on the pre-trained representations and only allow minimum updates or even no updates of the backbone models during the training of continual learning. In this paper, we question whether the complexity of these models is needed to achieve good performance by comparing them to a simple baseline that we designed. We argue that the pretrained feature extractor itself can be strong enough to achieve a competitive or even better continual learning performance on Split-CIFAR100 and CoRe 50 benchmarks. To validate this, we conduct a very simple baseline that 1) use the frozen pretrained model to extract image features for every class encountered during the continual learning stage and compute their corresponding mean features on training data, and 2) predict the class of the input based on the nearest neighbor distance between test samples and mean features of the classes; i.e., Nearest Mean Classifier (NMC). This baseline is single-headed, exemplar-free, and can be task-free (by updating the means continually). This baseline achieved 88.53% on 10-Split-CIFAR-100, surpassing most state-of-the-art continual learning methods that are all initialized using the same pretrained transformer model. We hope our baseline may encourage future progress in designing learning systems that can continually add quality to the learning representations even if they started from some pretrained weights.