Daily Papers

Vocoders reconstruct speech waveforms from acoustic features and play a pivotal role in modern TTS systems. Frequent-domain GAN vocoders like Vocos and APNet2 have recently seen rapid advancements, outperforming time-domain models in inference speed while achieving comparable audio quality. However, these frequency-domain vocoders suffer from large parameter sizes, thus introducing extra memory burden. Inspired by PriorGrad and SpecGrad, we employ pseudo-inverse to estimate the amplitude spectrum as the initialization roughly. This simple initialization significantly mitigates the parameter demand for vocoder. Based on APNet2 and our streamlined Amplitude prediction branch, we propose our FreeV, compared with its counterpart APNet2, our FreeV achieves 1.8 times inference speed improvement with nearly half parameters. Meanwhile, our FreeV outperforms APNet2 in resynthesis quality, marking a step forward in pursuing real-time, high-fidelity speech synthesis. Code and checkpoints is available at: https://github.com/BakerBunker/FreeV

When solving inverse problems, it is increasingly popular to use pre-trained diffusion models as plug-and-play priors. This framework can accommodate different forward models without re-training while preserving the generative capability of diffusion models. Despite their success in many imaging inverse problems, most existing methods rely on privileged information such as derivative, pseudo-inverse, or full knowledge about the forward model. This reliance poses a substantial limitation that restricts their use in a wide range of problems where such information is unavailable, such as in many scientific applications. To address this issue, we propose Ensemble Kalman Diffusion Guidance (EnKG) for diffusion models, a derivative-free approach that can solve inverse problems by only accessing forward model evaluations and a pre-trained diffusion model prior. We study the empirical effectiveness of our method across various inverse problems, including scientific settings such as inferring fluid flows and astronomical objects, which are highly non-linear inverse problems that often only permit black-box access to the forward model.

Our motivation is to shed light the performance of the widely popular "R-Learner." Like many other methods for estimating conditional average treatment effects (CATEs), R-Learning can be expressed as a weighted pseudo-outcome regression (POR). Previous comparisons of POR techniques have paid careful attention to the choice of pseudo-outcome transformation. However, we argue that the dominant driver of performance is actually the choice of weights. Specifically, we argue that R-Learning implicitly performs an inverse-variance weighted form of POR. These weights stabilize the regression and allow for convenient simplifications of bias terms.

This paper gives three formulas for the pseudoinverse of a matrix product A = CR. The first is sometimes correct, the second is always correct, and the third is almost never correct. But that third randomized pseudoinverse A^+_r may be very useful when A is a very large matrix. 1. A^+ = R^+C^+ when A = CR and C has independent columns and R has independent rows. 2. A^+ = (C^+CR)^+(CRR^+)^+ is always correct. 3. A^+_r = (P^TCR)^+P^TCRQ(CRQ)^+ = A^+ only when rank(P^TA) = rank(AQ) = rank(A) with A = CR.

We introduce meta-factorization, a theory that describes matrix decompositions as solutions of linear matrix equations: the projector and the reconstruction equation. Meta-factorization reconstructs known factorizations, reveals their internal structures, and allows for introducing modifications, as illustrated with SVD, QR, and UTV factorizations. The prospect of meta-factorization also provides insights into computational aspects of generalized matrix inverses and randomized linear algebra algorithms. The relations between the Moore-Penrose pseudoinverse, generalized Nystr\"{o}m method, and the CUR decomposition are revealed here as an illustration. Finally, meta-factorization offers hints on the structure of new factorizations and provides the potential of creating them.

In this work, we generalize the reaction-diffusion equation in statistical physics, Schr\"odinger equation in quantum mechanics, Helmholtz equation in paraxial optics into the neural partial differential equations (NPDE), which can be considered as the fundamental equations in the field of artificial intelligence research. We take finite difference method to discretize NPDE for finding numerical solution, and the basic building blocks of deep neural network architecture, including multi-layer perceptron, convolutional neural network and recurrent neural networks, are generated. The learning strategies, such as Adaptive moment estimation, L-BFGS, pseudoinverse learning algorithms and partial differential equation constrained optimization, are also presented. We believe it is of significance that presented clear physical image of interpretable deep neural networks, which makes it be possible for applying to analog computing device design, and pave the road to physical artificial intelligence.

The infinitely wide neural network has been proven a useful and manageable mathematical model that enables the understanding of many phenomena appearing in deep learning. One example is the convergence of random deep networks to Gaussian processes that allows a rigorous analysis of the way the choice of activation function and network weights impacts the training dynamics. In this paper, we extend the seminal proof of Matthews et al. (2018) to a larger class of initial weight distributions (which we call PSEUDO-IID), including the established cases of IID and orthogonal weights, as well as the emerging low-rank and structured sparse settings celebrated for their computational speed-up benefits. We show that fully-connected and convolutional networks initialized with PSEUDO-IID distributions are all effectively equivalent up to their variance. Using our results, one can identify the Edge-of-Chaos for a broader class of neural networks and tune them at criticality in order to enhance their training. Moreover, they enable the posterior distribution of Bayesian Neural Networks to be tractable across these various initialization schemes.

In this paper, we propose a weak regularity principle which is similar to both weak K\"onig's lemma and Ramsey's theorem. We begin by studying the computational strength of this principle in the context of reverse mathematics. We then analyze different ways of generalizing this principle.

Inverse of an invertible convolution is an important operation that comes up in Normalizing Flows, Image Deblurring, etc. The naive algorithm for backpropagation of this operation using Gaussian elimination has running time O(n^3) where n is the number of pixels in the image. We give a fast parallel backpropagation algorithm with running time O(n) for a square image and provide a GPU implementation of the same. Inverse Convolutions are usually used in Normalizing Flows in the sampling pass, making them slow. We propose to use Inverse Convolutions in the forward (image to latent vector) pass of the Normalizing flow. Since the sampling pass is the inverse of the forward pass, it will use convolutions only, resulting in efficient sampling times. We use our parallel backpropagation algorithm for optimizing the inverse convolution layer resulting in fast training times also. We implement this approach in various Normalizing Flow backbones, resulting in our Inverse-Flow models. We benchmark Inverse-Flow on standard datasets and show significantly improved sampling times with similar bits per dimension compared to previous models.

The reverse derivative is a fundamental operation in machine learning and automatic differentiation. This paper gives a direct axiomatization of a category with a reverse derivative operation, in a similar style to that given by Cartesian differential categories for a forward derivative. Intriguingly, a category with a reverse derivative also has a forward derivative, but the converse is not true. In fact, we show explicitly what a forward derivative is missing: a reverse derivative is equivalent to a forward derivative with a dagger structure on its subcategory of linear maps. Furthermore, we show that these linear maps form an additively enriched category with dagger biproducts.

A large class of inverse problems for PDEs are only well-defined as mappings from operators to functions. Existing operator learning frameworks map functions to functions and need to be modified to learn inverse maps from data. We propose a novel architecture termed Neural Inverse Operators (NIOs) to solve these PDE inverse problems. Motivated by the underlying mathematical structure, NIO is based on a suitable composition of DeepONets and FNOs to approximate mappings from operators to functions. A variety of experiments are presented to demonstrate that NIOs significantly outperform baselines and solve PDE inverse problems robustly, accurately and are several orders of magnitude faster than existing direct and PDE-constrained optimization methods.

State-space models (SSMs) have recently emerged as a framework for learning long-range sequence tasks. An example is the structured state-space sequence (S4) layer, which uses the diagonal-plus-low-rank structure of the HiPPO initialization framework. However, the complicated structure of the S4 layer poses challenges; and, in an effort to address these challenges, models such as S4D and S5 have considered a purely diagonal structure. This choice simplifies the implementation, improves computational efficiency, and allows channel communication. However, diagonalizing the HiPPO framework is itself an ill-posed problem. In this paper, we propose a general solution for this and related ill-posed diagonalization problems in machine learning. We introduce a generic, backward-stable "perturb-then-diagonalize" (PTD) methodology, which is based on the pseudospectral theory of non-normal operators, and which may be interpreted as the approximate diagonalization of the non-normal matrices defining SSMs. Based on this, we introduce the S4-PTD and S5-PTD models. Through theoretical analysis of the transfer functions of different initialization schemes, we demonstrate that the S4-PTD/S5-PTD initialization strongly converges to the HiPPO framework, while the S4D/S5 initialization only achieves weak convergences. As a result, our new models show resilience to Fourier-mode noise-perturbed inputs, a crucial property not achieved by the S4D/S5 models. In addition to improved robustness, our S5-PTD model averages 87.6% accuracy on the Long-Range Arena benchmark, demonstrating that the PTD methodology helps to improve the accuracy of deep learning models.

We introduce Reverse Derivative Ascent: a categorical analogue of gradient based methods for machine learning. Our algorithm is defined at the level of so-called reverse differential categories. It can be used to learn the parameters of models which are expressed as morphisms of such categories. Our motivating example is boolean circuits: we show how our algorithm can be applied to such circuits by using the theory of reverse differential categories. Note our methodology allows us to learn the parameters of boolean circuits directly, in contrast to existing binarised neural network approaches. Moreover, we demonstrate its empirical value by giving experimental results on benchmark machine learning datasets.

Solving the inverse problem is the key step in evaluating the capacity of a physical model to describe real phenomena. In medical image computing, it aligns with the classical theme of image-based model personalization. Traditionally, a solution to the problem is obtained by performing either sampling or variational inference based methods. Both approaches aim to identify a set of free physical model parameters that results in a simulation best matching an empirical observation. When applied to brain tumor modeling, one of the instances of image-based model personalization in medical image computing, the overarching drawback of the methods is the time complexity for finding such a set. In a clinical setting with limited time between imaging and diagnosis or even intervention, this time complexity may prove critical. As the history of quantitative science is the history of compression, we align in this paper with the historical tendency and propose a method compressing complex traditional strategies for solving an inverse problem into a simple database query task. We evaluated different ways of performing the database query task assessing the trade-off between accuracy and execution time. On the exemplary task of brain tumor growth modeling, we prove that the proposed method achieves one order speed-up compared to existing approaches for solving the inverse problem. The resulting compute time offers critical means for relying on more complex and, hence, realistic models, for integrating image preprocessing and inverse modeling even deeper, or for implementing the current model into a clinical workflow.

The notions of disintegration and Bayesian inversion are fundamental in conditional probability theory. They produce channels, as conditional probabilities, from a joint state, or from an already given channel (in opposite direction). These notions exist in the literature, in concrete situations, but are presented here in abstract graphical formulations. The resulting abstract descriptions are used for proving basic results in conditional probability theory. The existence of disintegration and Bayesian inversion is discussed for discrete probability, and also for measure-theoretic probability --- via standard Borel spaces and via likelihoods. Finally, the usefulness of disintegration and Bayesian inversion is illustrated in several examples.

Given the existence of various forward and inverse problems in combustion studies and applications that necessitate distinct methods for resolution, a framework to solve them in a unified way is critically needed. A promising approach is the integration of machine learning methods with governing equations of combustion systems, which exhibits superior generality and few-shot learning ability compared to purely data-driven methods. In this work, the FlamePINN-1D framework is proposed to solve the forward and inverse problems of 1D laminar flames based on physics-informed neural networks. Three cases with increasing complexity have been tested: Case 1 are freely-propagating premixed (FPP) flames with simplified physical models, while Case 2 and Case 3 are FPP and counterflow premixed (CFP) flames with detailed models, respectively. For forward problems, FlamePINN-1D aims to solve the flame fields and infer the unknown eigenvalues (such as laminar flame speeds) under the constraints of governing equations and boundary conditions. For inverse problems, FlamePINN-1D aims to reconstruct the continuous fields and infer the unknown parameters (such as transport and chemical kinetics parameters) from noisy sparse observations of the flame. Our results strongly validate these capabilities of FlamePINN-1D across various flames and working conditions. Compared to traditional methods, FlamePINN-1D is differentiable and mesh-free, exhibits no discretization errors, and is easier to implement for inverse problems. The inverse problem results also indicate the possibility of optimizing chemical mechanisms from measurements of laboratory 1D flames. Furthermore, some proposed strategies, such as hard constraints and thin-layer normalization, are proven to be essential for the robust learning of FlamePINN-1D. The code for this paper is partially available at https://github.com/CAME-THU/FlamePINN-1D.

This paper studies the role of over-parametrization in solving non-convex optimization problems. The focus is on the important class of low-rank matrix sensing, where we propose an infinite hierarchy of non-convex problems via the lifting technique and the Burer-Monteiro factorization. This contrasts with the existing over-parametrization technique where the search rank is limited by the dimension of the matrix and it does not allow a rich over-parametrization of an arbitrary degree. We show that although the spurious solutions of the problem remain stationary points through the hierarchy, they will be transformed into strict saddle points (under some technical conditions) and can be escaped via local search methods. This is the first result in the literature showing that over-parametrization creates a negative curvature for escaping spurious solutions. We also derive a bound on how much over-parametrization is requited to enable the elimination of spurious solutions.

Denoising Diffusion Probabilistic Models (DDPMs) can generate high-quality samples such as image and audio samples. However, DDPMs require hundreds to thousands of iterations to produce final samples. Several prior works have successfully accelerated DDPMs through adjusting the variance schedule (e.g., Improved Denoising Diffusion Probabilistic Models) or the denoising equation (e.g., Denoising Diffusion Implicit Models (DDIMs)). However, these acceleration methods cannot maintain the quality of samples and even introduce new noise at a high speedup rate, which limit their practicability. To accelerate the inference process while keeping the sample quality, we provide a fresh perspective that DDPMs should be treated as solving differential equations on manifolds. Under such a perspective, we propose pseudo numerical methods for diffusion models (PNDMs). Specifically, we figure out how to solve differential equations on manifolds and show that DDIMs are simple cases of pseudo numerical methods. We change several classical numerical methods to corresponding pseudo numerical methods and find that the pseudo linear multi-step method is the best in most situations. According to our experiments, by directly using pre-trained models on Cifar10, CelebA and LSUN, PNDMs can generate higher quality synthetic images with only 50 steps compared with 1000-step DDIMs (20x speedup), significantly outperform DDIMs with 250 steps (by around 0.4 in FID) and have good generalization on different variance schedules. Our implementation is available at https://github.com/luping-liu/PNDM.

Proximal operators are ubiquitous in inverse problems, commonly appearing as part of algorithmic strategies to regularize problems that are otherwise ill-posed. Modern deep learning models have been brought to bear for these tasks too, as in the framework of plug-and-play or deep unrolling, where they loosely resemble proximal operators. Yet, something essential is lost in employing these purely data-driven approaches: there is no guarantee that a general deep network represents the proximal operator of any function, nor is there any characterization of the function for which the network might provide some approximate proximal. This not only makes guaranteeing convergence of iterative schemes challenging but, more fundamentally, complicates the analysis of what has been learned by these networks about their training data. Herein we provide a framework to develop learned proximal networks (LPN), prove that they provide exact proximal operators for a data-driven nonconvex regularizer, and show how a new training strategy, dubbed proximal matching, provably promotes the recovery of the log-prior of the true data distribution. Such LPN provide general, unsupervised, expressive proximal operators that can be used for general inverse problems with convergence guarantees. We illustrate our results in a series of cases of increasing complexity, demonstrating that these models not only result in state-of-the-art performance, but provide a window into the resulting priors learned from data.

Bayes' rule tells us how to invert a causal process in order to update our beliefs in light of new evidence. If the process is believed to have a complex compositional structure, we may ask whether composing the inversions of the component processes gives the same belief update as the inversion of the whole. We answer this question affirmatively, showing that the relevant compositional structure is precisely that of the lens pattern, and that we can think of Bayesian inversion as a particular instance of a state-dependent morphism in a corresponding fibred category. We define a general notion of (mixed) Bayesian lens, and discuss the (un)lawfulness of these lenses when their contravariant components are exact Bayesian inversions. We prove our main result both abstractly and concretely, for both discrete and continuous states, taking care to illustrate the common structures.

Diffusion inversion is the problem of taking an image and a text prompt that describes it and finding a noise latent that would generate the image. Most current inversion techniques operate by approximately solving an implicit equation and may converge slowly or yield poor reconstructed images. Here, we formulate the problem as finding the roots of an implicit equation and design a method to solve it efficiently. Our solution is based on Newton-Raphson (NR), a well-known technique in numerical analysis. A naive application of NR may be computationally infeasible and tends to converge to incorrect solutions. We describe an efficient regularized formulation that converges quickly to a solution that provides high-quality reconstructions. We also identify a source of inconsistency stemming from prompt conditioning during the inversion process, which significantly degrades the inversion quality. To address this, we introduce a prompt-aware adjustment of the encoding, effectively correcting this issue. Our solution, Regularized Newton-Raphson Inversion, inverts an image within 0.5 sec for latent consistency models, opening the door for interactive image editing. We further demonstrate improved results in image interpolation and generation of rare objects.

Inverse design refers to the problem of optimizing the input of an objective function in order to enact a target outcome. For many real-world engineering problems, the objective function takes the form of a simulator that predicts how the system state will evolve over time, and the design challenge is to optimize the initial conditions that lead to a target outcome. Recent developments in learned simulation have shown that graph neural networks (GNNs) can be used for accurate, efficient, differentiable estimation of simulator dynamics, and support high-quality design optimization with gradient- or sampling-based optimization procedures. However, optimizing designs from scratch requires many expensive model queries, and these procedures exhibit basic failures on either non-convex or high-dimensional problems.In this work, we show how denoising diffusion models (DDMs) can be used to solve inverse design problems efficiently and propose a particle sampling algorithm for further improving their efficiency. We perform experiments on a number of fluid dynamics design challenges, and find that our approach substantially reduces the number of calls to the simulator compared to standard techniques.

Diffusion model-based inverse problem solvers have demonstrated state-of-the-art performance in cases where the forward operator is known (i.e. non-blind). However, the applicability of the method to blind inverse problems has yet to be explored. In this work, we show that we can indeed solve a family of blind inverse problems by constructing another diffusion prior for the forward operator. Specifically, parallel reverse diffusion guided by gradients from the intermediate stages enables joint optimization of both the forward operator parameters as well as the image, such that both are jointly estimated at the end of the parallel reverse diffusion procedure. We show the efficacy of our method on two representative tasks -- blind deblurring, and imaging through turbulence -- and show that our method yields state-of-the-art performance, while also being flexible to be applicable to general blind inverse problems when we know the functional forms.

Recently, various methods have been proposed to address the inconsistency issue of DDIM inversion to enable image editing, such as EDICT [36] and Null-text inversion [22]. However, the above methods introduce considerable computational overhead. In this paper, we propose a new technique, named bi-directional integration approximation (BDIA), to perform exact diffusion inversion with neglible computational overhead. Suppose we would like to estimate the next diffusion state z_{i-1} at timestep t_i with the historical information (i,z_i) and (i+1,z_{i+1}). We first obtain the estimated Gaussian noise boldsymbol{epsilon}(z_i,i), and then apply the DDIM update procedure twice for approximating the ODE integration over the next time-slot [t_i, t_{i-1}] in the forward manner and the previous time-slot [t_i, t_{t+1}] in the backward manner. The DDIM step for the previous time-slot is used to refine the integration approximation made earlier when computing z_i. A nice property of BDIA-DDIM is that the update expression for z_{i-1} is a linear combination of (z_{i+1}, z_i, boldsymbol{epsilon}(z_i,i)). This allows for exact backward computation of z_{i+1} given (z_i, z_{i-1}), thus leading to exact diffusion inversion. It is demonstrated with experiments that (round-trip) BDIA-DDIM is particularly effective for image editing. Our experiments further show that BDIA-DDIM produces markedly better image sampling qualities than DDIM for text-to-image generation. BDIA can also be applied to improve the performance of other ODE solvers in addition to DDIM. In our work, it is found that applying BDIA to the EDM sampling procedure produces consistently better performance over four pre-trained models.

We propose iterative inversion -- an algorithm for learning an inverse function without input-output pairs, but only with samples from the desired output distribution and access to the forward function. The key challenge is a distribution shift between the desired outputs and the outputs of an initial random guess, and we prove that iterative inversion can steer the learning correctly, under rather strict conditions on the function. We apply iterative inversion to learn control. Our input is a set of demonstrations of desired behavior, given as video embeddings of trajectories (without actions), and our method iteratively learns to imitate trajectories generated by the current policy, perturbed by random exploration noise. Our approach does not require rewards, and only employs supervised learning, which can be easily scaled to use state-of-the-art trajectory embedding techniques and policy representations. Indeed, with a VQ-VAE embedding, and a transformer-based policy, we demonstrate non-trivial continuous control on several tasks. Further, we report an improved performance on imitating diverse behaviors compared to reward based methods.

Answering counterfactual queries has many important applications such as knowledge discovery and explainability, but is challenging when causal variables are unobserved and we only see a projection onto an observation space, for instance, image pixels. One approach is to recover the latent Structural Causal Model (SCM), but this typically needs unrealistic assumptions, such as linearity of the causal mechanisms. Another approach is to use na\"ive ML approximations, such as generative models, to generate counterfactual samples; however, these lack guarantees of accuracy. In this work, we strive to strike a balance between practicality and theoretical guarantees by focusing on a specific type of causal query called domain counterfactuals, which hypothesizes what a sample would have looked like if it had been generated in a different domain (or environment). Concretely, by only assuming invertibility, sparse domain interventions and access to observational data from different domains, we aim to improve domain counterfactual estimation both theoretically and practically with less restrictive assumptions. We define domain counterfactually equivalent models and prove necessary and sufficient properties for equivalent models that provide a tight characterization of the domain counterfactual equivalence classes. Building upon this result, we prove that every equivalence class contains a model where all intervened variables are at the end when topologically sorted by the causal DAG. This surprising result suggests that a model design that only allows intervention in the last k latent variables may improve model estimation for counterfactuals. We then test this model design on extensive simulated and image-based experiments which show the sparse canonical model indeed improves counterfactual estimation over baseline non-sparse models.

Given a K-vertex simplex in a d-dimensional space, suppose we measure n points on the simplex with noise (hence, some of the observed points fall outside the simplex). Vertex hunting is the problem of estimating the K vertices of the simplex. A popular vertex hunting algorithm is successive projection algorithm (SPA). However, SPA is observed to perform unsatisfactorily under strong noise or outliers. We propose pseudo-point SPA (pp-SPA). It uses a projection step and a denoise step to generate pseudo-points and feed them into SPA for vertex hunting. We derive error bounds for pp-SPA, leveraging on extreme value theory of (possibly) high-dimensional random vectors. The results suggest that pp-SPA has faster rates and better numerical performances than SPA. Our analysis includes an improved non-asymptotic bound for the original SPA, which is of independent interest.

The entropic fictitious play (EFP) is a recently proposed algorithm that minimizes the sum of a convex functional and entropy in the space of measures -- such an objective naturally arises in the optimization of a two-layer neural network in the mean-field regime. In this work, we provide a concise primal-dual analysis of EFP in the setting where the learning problem exhibits a finite-sum structure. We establish quantitative global convergence guarantees for both the continuous-time and discrete-time dynamics based on properties of a proximal Gibbs measure introduced in Nitanda et al. (2022). Furthermore, our primal-dual framework entails a memory-efficient particle-based implementation of the EFP update, and also suggests a connection to gradient boosting methods. We illustrate the efficiency of our novel implementation in experiments including neural network optimization and image synthesis.

We prove an inverse approximation theorem for the approximation of nonlinear sequence-to-sequence relationships using recurrent neural networks (RNNs). This is a so-called Bernstein-type result in approximation theory, which deduces properties of a target function under the assumption that it can be effectively approximated by a hypothesis space. In particular, we show that nonlinear sequence relationships that can be stably approximated by nonlinear RNNs must have an exponential decaying memory structure - a notion that can be made precise. This extends the previously identified curse of memory in linear RNNs into the general nonlinear setting, and quantifies the essential limitations of the RNN architecture for learning sequential relationships with long-term memory. Based on the analysis, we propose a principled reparameterization method to overcome the limitations. Our theoretical results are confirmed by numerical experiments. The code has been released in https://github.com/radarFudan/Curse-of-memory

Diffusion model-based inverse problem solvers have shown impressive performance, but are limited in speed, mostly as they require reverse diffusion sampling starting from noise. Several recent works have tried to alleviate this problem by building a diffusion process, directly bridging the clean and the corrupted for specific inverse problems. In this paper, we first unify these existing works under the name Direct Diffusion Bridges (DDB), showing that while motivated by different theories, the resulting algorithms only differ in the choice of parameters. Then, we highlight a critical limitation of the current DDB framework, namely that it does not ensure data consistency. To address this problem, we propose a modified inference procedure that imposes data consistency without the need for fine-tuning. We term the resulting method data Consistent DDB (CDDB), which outperforms its inconsistent counterpart in terms of both perception and distortion metrics, thereby effectively pushing the Pareto-frontier toward the optimum. Our proposed method achieves state-of-the-art results on both evaluation criteria, showcasing its superiority over existing methods.

We propose a novel hierarchical Bayesian model for learning with a large (possibly infinite) number of tasks/episodes, which suits well the few-shot meta learning problem. We consider episode-wise random variables to model episode-specific target generative processes, where these local random variables are governed by a higher-level global random variate. The global variable helps memorize the important information from historic episodes while controlling how much the model needs to be adapted to new episodes in a principled Bayesian manner. Within our model framework, the prediction on a novel episode/task can be seen as a Bayesian inference problem. However, a main obstacle in learning with a large/infinite number of local random variables in online nature, is that one is not allowed to store the posterior distribution of the current local random variable for frequent future updates, typical in conventional variational inference. We need to be able to treat each local variable as a one-time iterate in the optimization. We propose a Normal-Inverse-Wishart model, for which we show that this one-time iterate optimization becomes feasible due to the approximate closed-form solutions for the local posterior distributions. The resulting algorithm is more attractive than the MAML in that it is not required to maintain computational graphs for the whole gradient optimization steps per episode. Our approach is also different from existing Bayesian meta learning methods in that unlike dealing with a single random variable for the whole episodes, our approach has a hierarchical structure that allows one-time episodic optimization, desirable for principled Bayesian learning with many/infinite tasks. The code is available at https://github.com/minyoungkim21/niwmeta.

A digital twin is a virtual replica of a real-world physical phenomena that uses mathematical modeling to characterize and simulate its defining features. By constructing digital twins for disease processes, we can perform in-silico simulations that mimic patients' health conditions and counterfactual outcomes under hypothetical interventions in a virtual setting. This eliminates the need for invasive procedures or uncertain treatment decisions. In this paper, we propose a method to identify digital twin model parameters using only noninvasive patient health data. We approach the digital twin modeling as a composite inverse problem, and observe that its structure resembles pretraining and finetuning in self-supervised learning (SSL). Leveraging this, we introduce a physics-informed SSL algorithm that initially pretrains a neural network on the pretext task of solving the physical model equations. Subsequently, the model is trained to reconstruct low-dimensional health measurements from noninvasive modalities while being constrained by the physical equations learned in pretraining. We apply our method to identify digital twins of cardiac hemodynamics using noninvasive echocardiogram videos, and demonstrate its utility in unsupervised disease detection and in-silico clinical trials.

Transformers can learn to perform numerical computations from examples only. I study nine problems of linear algebra, from basic matrix operations to eigenvalue decomposition and inversion, and introduce and discuss four encoding schemes to represent real numbers. On all problems, transformers trained on sets of random matrices achieve high accuracies (over 90%). The models are robust to noise, and can generalize out of their training distribution. In particular, models trained to predict Laplace-distributed eigenvalues generalize to different classes of matrices: Wigner matrices or matrices with positive eigenvalues. The reverse is not true.

Simulation-based inference with conditional neural density estimators is a powerful approach to solving inverse problems in science. However, these methods typically treat the underlying forward model as a black box, with no way to exploit geometric properties such as equivariances. Equivariances are common in scientific models, however integrating them directly into expressive inference networks (such as normalizing flows) is not straightforward. We here describe an alternative method to incorporate equivariances under joint transformations of parameters and data. Our method -- called group equivariant neural posterior estimation (GNPE) -- is based on self-consistently standardizing the "pose" of the data while estimating the posterior over parameters. It is architecture-independent, and applies both to exact and approximate equivariances. As a real-world application, we use GNPE for amortized inference of astrophysical binary black hole systems from gravitational-wave observations. We show that GNPE achieves state-of-the-art accuracy while reducing inference times by three orders of magnitude.

We introduced a novel method to solve Bayesian inverse problems governed by PDE equations with a hybrid two-level MCMC where we took advantage of the AI surrogate model speed and the accuracy of numerical models. We show theoretically the potential to solve Bayesian inverse problems accurately with only a small number of numerical samples when the AI surrogate model error is small. Several numerical experiment results are included which demonstrates the advantage of the hybrid method.

Most existing learning-based methods for solving imaging inverse problems can be roughly divided into two classes: iterative algorithms, such as plug-and-play and diffusion methods, that leverage pretrained denoisers, and unrolled architectures that are trained end-to-end for specific imaging problems. Iterative methods in the first class are computationally costly and often provide suboptimal reconstruction performance, whereas unrolled architectures are generally specific to a single inverse problem and require expensive training. In this work, we propose a novel non-iterative, lightweight architecture that incorporates knowledge about the forward operator (acquisition physics and noise parameters) without relying on unrolling. Our model is trained to solve a wide range of inverse problems beyond denoising, including deblurring, magnetic resonance imaging, computed tomography, inpainting, and super-resolution. The proposed model can be easily adapted to unseen inverse problems or datasets with a few fine-tuning steps (up to a few images) in a self-supervised way, without ground-truth references. Throughout a series of experiments, we demonstrate state-of-the-art performance from medical imaging to low-photon imaging and microscopy.

In this paper, we study the predict-then-optimize problem where the output of a machine learning prediction task is used as the input of some downstream optimization problem, say, the objective coefficient vector of a linear program. The problem is also known as predictive analytics or contextual linear programming. The existing approaches largely suffer from either (i) optimization intractability (a non-convex objective function)/statistical inefficiency (a suboptimal generalization bound) or (ii) requiring strong condition(s) such as no constraint or loss calibration. We develop a new approach to the problem called maximum optimality margin which designs the machine learning loss function by the optimality condition of the downstream optimization. The max-margin formulation enjoys both computational efficiency and good theoretical properties for the learning procedure. More importantly, our new approach only needs the observations of the optimal solution in the training data rather than the objective function, which makes it a new and natural approach to the inverse linear programming problem under both contextual and context-free settings; we also analyze the proposed method under both offline and online settings, and demonstrate its performance using numerical experiments.

We consider online scheduling on unrelated (heterogeneous) machines in a speed-oblivious setting, where an algorithm is unaware of the exact job-dependent processing speeds. We show strong impossibility results for clairvoyant and non-clairvoyant algorithms and overcome them in models inspired by practical settings: (i) we provide competitive learning-augmented algorithms, assuming that (possibly erroneous) predictions on the speeds are given, and (ii) we provide competitive algorithms for the speed-ordered model, where a single global order of machines according to their unknown job-dependent speeds is known. We prove strong theoretical guarantees and evaluate our findings on a representative heterogeneous multi-core processor. These seem to be the first empirical results for scheduling algorithms with predictions that are evaluated in a non-synthetic hardware environment.

We generalise an existing construction of Bayesian Lenses to admit lenses between pairs of objects where the backwards object is dependent on states on the forwards object (interpreted as probability distributions). This gives a natural setting for studying stochastic maps with Bayesian inverses restricted to the points supported by a given prior. In order to state this formally we develop a proposed definition by Fritz of a support object in a Markov category and show that these give rise to a section into the category of dependent Bayesian lenses encoding a more canonical notion of Bayesian inversion.

A desired closure property in Bayesian probability is that an updated posterior distribution be in the same class of distributions --- say Gaussians --- as the prior distribution. When the updating takes place via a statistical model, one calls the class of prior distributions the `conjugate priors' of the model. This paper gives (1) an abstract formulation of this notion of conjugate prior, using channels, in a graphical language, (2) a simple abstract proof that such conjugate priors yield Bayesian inversions, and (3) a logical description of conjugate priors that highlights the required closure of the priors under updating. The theory is illustrated with several standard examples, also covering multiple updating.

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

Incorporating a deep generative model as the prior distribution in inverse problems has established substantial success in reconstructing images from corrupted observations. Notwithstanding, the existing optimization approaches use gradient descent largely without adapting to the non-convex nature of the problem and can be sensitive to initial values, impeding further performance improvement. In this paper, we propose an efficient amortized optimization scheme for inverse problems with a deep generative prior. Specifically, the optimization task with high degrees of difficulty is decomposed into optimizing a sequence of much easier ones. We provide a theoretical guarantee of the proposed algorithm and empirically validate it on different inverse problems. As a result, our approach outperforms baseline methods qualitatively and quantitatively by a large margin.

The aim of this paper is to introduce a new learning procedure for neural networks and to demonstrate that it works well enough on a few small problems to be worth further investigation. The Forward-Forward algorithm replaces the forward and backward passes of backpropagation by two forward passes, one with positive (i.e. real) data and the other with negative data which could be generated by the network itself. Each layer has its own objective function which is simply to have high goodness for positive data and low goodness for negative data. The sum of the squared activities in a layer can be used as the goodness but there are many other possibilities, including minus the sum of the squared activities. If the positive and negative passes could be separated in time, the negative passes could be done offline, which would make the learning much simpler in the positive pass and allow video to be pipelined through the network without ever storing activities or stopping to propagate derivatives.

A Transformer-based deep direct sampling method is proposed for electrical impedance tomography, a well-known severely ill-posed nonlinear boundary value inverse problem. A real-time reconstruction is achieved by evaluating the learned inverse operator between carefully designed data and the reconstructed images. An effort is made to give a specific example to a fundamental question: whether and how one can benefit from the theoretical structure of a mathematical problem to develop task-oriented and structure-conforming deep neural networks? Specifically, inspired by direct sampling methods for inverse problems, the 1D boundary data in different frequencies are preprocessed by a partial differential equation-based feature map to yield 2D harmonic extensions as different input channels. Then, by introducing learnable non-local kernels, the direct sampling is recast to a modified attention mechanism. The new method achieves superior accuracy over its predecessors and contemporary operator learners and shows robustness to noises in benchmarks. This research shall strengthen the insights that, despite being invented for natural language processing tasks, the attention mechanism offers great flexibility to be modified in conformity with the a priori mathematical knowledge, which ultimately leads to the design of more physics-compatible neural architectures.

We show how imaginary numbers in quantum physics can be eliminated by enlarging the Hilbert Space followed by an imposition of - what effectively amounts to - a superselection rule. We illustrate this procedure with a qubit and apply it to the Mach-Zehnder interferometer. The procedure is somewhat reminiscent of the constrained quantization of the electromagnetic field, where, in order to manifestly comply with relativity, one enlargers the Hilbert Space by quantizing the longitudinal and scalar modes, only to subsequently introduce a constraint to make sure that they are actually not directly observable.

Diffusion models have become a popular approach for image generation and reconstruction due to their numerous advantages. However, most diffusion-based inverse problem-solving methods only deal with 2D images, and even recently published 3D methods do not fully exploit the 3D distribution prior. To address this, we propose a novel approach using two perpendicular pre-trained 2D diffusion models to solve the 3D inverse problem. By modeling the 3D data distribution as a product of 2D distributions sliced in different directions, our method effectively addresses the curse of dimensionality. Our experimental results demonstrate that our method is highly effective for 3D medical image reconstruction tasks, including MRI Z-axis super-resolution, compressed sensing MRI, and sparse-view CT. Our method can generate high-quality voxel volumes suitable for medical applications.

In recent years, Printed Circuit Boards (PCB) have become the backbone of a large number of consumer electronic devices leading to a surge in their production. This has made it imperative to employ automatic inspection systems to identify manufacturing defects in PCB before they are installed in the respective systems. An important task in this regard is the classification of defects as either true or pseudo defects, which decides if the PCB is to be re-manufactured or not. This work proposes a novel approach to detect most common defects in the PCBs. The problem has been approached by employing highly discriminative features based on multi-scale wavelet transform, which are further boosted by using a kernalized version of the support vector machines (SVM). A real world printed circuit board dataset has been used for quantitative analysis. Experimental results demonstrated the efficacy of the proposed method.

Objective: BCI (Brain-Computer Interface) technology operates in three modes: online, offline, and pseudo-online. In the online mode, real-time EEG data is constantly analyzed. In offline mode, the signal is acquired and processed afterwards. The pseudo-online mode processes collected data as if they were received in real-time. The main difference is that the offline mode often analyzes the whole data, while the online and pseudo-online modes only analyze data in short time windows. Offline analysis is usually done with asynchronous BCIs, which restricts analysis to predefined time windows. Asynchronous BCI, compatible with online and pseudo-online modes, allows flexible mental activity duration. Offline processing tends to be more accurate, while online analysis is better for therapeutic applications. Pseudo-online implementation approximates online processing without real-time constraints. Many BCI studies being offline introduce biases compared to real-life scenarios, impacting classification algorithm performance. Approach: The objective of this research paper is therefore to extend the current MOABB framework, operating in offline mode, so as to allow a comparison of different algorithms in a pseudo-online setting with the use of a technology based on overlapping sliding windows. To do this will require the introduction of a idle state event in the dataset that takes into account all different possibilities that are not task thinking. To validate the performance of the algorithms we will use the normalized Matthews Correlation Coefficient (nMCC) and the Information Transfer Rate (ITR). Main results: We analyzed the state-of-the-art algorithms of the last 15 years over several Motor Imagery (MI) datasets composed by several subjects, showing the differences between the two approaches from a statistical point of view. Significance: The ability to analyze the performance of different algorithms in offline and pseudo-online modes will allow the BCI community to obtain more accurate and comprehensive reports regarding the performance of classification algorithms.

Recent zero-shot text-to-speech (TTS) systems face a common dilemma: autoregressive (AR) models suffer from slow generation and lack duration controllability, while non-autoregressive (NAR) models lack temporal modeling and typically require complex designs. In this paper, we introduce a novel pseudo-autoregressive (PAR) codec language modeling approach that unifies AR and NAR modeling. Combining explicit temporal modeling from AR with parallel generation from NAR, PAR generates dynamic-length spans at fixed time steps. Building on PAR, we propose PALLE, a two-stage TTS system that leverages PAR for initial generation followed by NAR refinement. In the first stage, PAR progressively generates speech tokens along the time dimension, with each step predicting all positions in parallel but only retaining the left-most span. In the second stage, low-confidence tokens are iteratively refined in parallel, leveraging the global contextual information. Experiments demonstrate that PALLE, trained on LibriTTS, outperforms state-of-the-art systems trained on large-scale data, including F5-TTS, E2-TTS, and MaskGCT, on the LibriSpeech test-clean set in terms of speech quality, speaker similarity, and intelligibility, while achieving up to ten times faster inference speed. Audio samples are available at https://anonymous-palle.github.io.

Rendering scenes observed in a monocular video from novel viewpoints is a challenging problem. For static scenes the community has studied both scene-specific optimization techniques, which optimize on every test scene, and generalized techniques, which only run a deep net forward pass on a test scene. In contrast, for dynamic scenes, scene-specific optimization techniques exist, but, to our best knowledge, there is currently no generalized method for dynamic novel view synthesis from a given monocular video. To answer whether generalized dynamic novel view synthesis from monocular videos is possible today, we establish an analysis framework based on existing techniques and work toward the generalized approach. We find a pseudo-generalized process without scene-specific appearance optimization is possible, but geometrically and temporally consistent depth estimates are needed. Despite no scene-specific appearance optimization, the pseudo-generalized approach improves upon some scene-specific methods.

We have investigated the effects of strain on two-dimensional square lattices and examined the methods for inducing pseudo-magnetic fields. In both the columnar and staggered pi-flux square lattices, we have found that strain only modulates Fermi velocities rather than inducing pseudo-magnetic fields. However, spatially non-uniform on-site potentials (anisotropic hoppings) can create pseudo-magnetic fields in columnar (staggered) pi-flux square lattices. On the other hand, we demonstrate that strain does induce pseudo-magnetic fields in staggered zero-flux square lattices. By breaking a quarter of the bonds, we clarify that a staggered zero-flux square lattice is topologically equivalent to a honeycomb lattice and displays pseudo-vector potentials and pseudo-Landau levels at the Dirac points.

Most self-supervised 6D object pose estimation methods can only work with additional depth information or rely on the accurate annotation of 2D segmentation masks, limiting their application range. In this paper, we propose a 6D object pose estimation method that can be trained with pure RGB images without any auxiliary information. We first obtain a rough pose initialization from networks trained on synthetic images rendered from the target's 3D mesh. Then, we introduce a refinement strategy leveraging the geometry constraint in synthetic-to-real image pairs from multiple different views. We formulate this geometry constraint as pixel-level flow consistency between the training images with dynamically generated pseudo labels. We evaluate our method on three challenging datasets and demonstrate that it outperforms state-of-the-art self-supervised methods significantly, with neither 2D annotations nor additional depth images.

Pseudo-labeling is significant for semi-supervised instance segmentation, which generates instance masks and classes from unannotated images for subsequent training. However, in existing pipelines, pseudo-labels that contain valuable information may be directly filtered out due to mismatches in class and mask quality. To address this issue, we propose a novel framework, called pseudo-label aligning instance segmentation (PAIS), in this paper. In PAIS, we devise a dynamic aligning loss (DALoss) that adjusts the weights of semi-supervised loss terms with varying class and mask score pairs. Through extensive experiments conducted on the COCO and Cityscapes datasets, we demonstrate that PAIS is a promising framework for semi-supervised instance segmentation, particularly in cases where labeled data is severely limited. Notably, with just 1\% labeled data, PAIS achieves 21.2 mAP (based on Mask-RCNN) and 19.9 mAP (based on K-Net) on the COCO dataset, outperforming the current state-of-the-art model, \ie, NoisyBoundary with 7.7 mAP, by a margin of over 12 points. Code is available at: https://github.com/hujiecpp/PAIS.

Automatically estimating the complexity of texts for readers has a variety of applications, such as recommending texts with an appropriate complexity level to language learners or supporting the evaluation of text simplification approaches. In this paper, we present our submission to the Text Complexity DE Challenge 2022, a regression task where the goal is to predict the complexity of a German sentence for German learners at level B. Our approach relies on more than 220,000 pseudo-labels created from the German Wikipedia and other corpora to train Transformer-based models, and refrains from any feature engineering or any additional, labeled data. We find that the pseudo-label-based approach gives impressive results yet requires little to no adjustment to the specific task and therefore could be easily adapted to other domains and tasks.

Pseudo-relevance feedback (PRF) has proven to be an effective query reformulation technique to improve retrieval accuracy. It aims to alleviate the mismatch of linguistic expressions between a query and its potential relevant documents. Existing PRF methods independently treat revised queries originating from the same query but using different numbers of feedback documents, resulting in severe query drift. Without comparing the effects of two different revisions from the same query, a PRF model may incorrectly focus on the additional irrelevant information increased in the more feedback, and thus reformulate a query that is less effective than the revision using the less feedback. Ideally, if a PRF model can distinguish between irrelevant and relevant information in the feedback, the more feedback documents there are, the better the revised query will be. To bridge this gap, we propose the Loss-over-Loss (LoL) framework to compare the reformulation losses between different revisions of the same query during training. Concretely, we revise an original query multiple times in parallel using different amounts of feedback and compute their reformulation losses. Then, we introduce an additional regularization loss on these reformulation losses to penalize revisions that use more feedback but gain larger losses. With such comparative regularization, the PRF model is expected to learn to suppress the extra increased irrelevant information by comparing the effects of different revised queries. Further, we present a differentiable query reformulation method to implement this framework. This method revises queries in the vector space and directly optimizes the retrieval performance of query vectors, applicable for both sparse and dense retrieval models. Empirical evaluation demonstrates the effectiveness and robustness of our method for two typical sparse and dense retrieval models.

Visual grounding, i.e., localizing objects in images according to natural language queries, is an important topic in visual language understanding. The most effective approaches for this task are based on deep learning, which generally require expensive manually labeled image-query or patch-query pairs. To eliminate the heavy dependence on human annotations, we present a novel method, named Pseudo-Q, to automatically generate pseudo language queries for supervised training. Our method leverages an off-the-shelf object detector to identify visual objects from unlabeled images, and then language queries for these objects are obtained in an unsupervised fashion with a pseudo-query generation module. Then, we design a task-related query prompt module to specifically tailor generated pseudo language queries for visual grounding tasks. Further, in order to fully capture the contextual relationships between images and language queries, we develop a visual-language model equipped with multi-level cross-modality attention mechanism. Extensive experimental results demonstrate that our method has two notable benefits: (1) it can reduce human annotation costs significantly, e.g., 31% on RefCOCO without degrading original model's performance under the fully supervised setting, and (2) without bells and whistles, it achieves superior or comparable performance compared to state-of-the-art weakly-supervised visual grounding methods on all the five datasets we have experimented. Code is available at https://github.com/LeapLabTHU/Pseudo-Q.

Semi-supervised learning through pseudo-labeling has become a staple of state-of-the-art monolingual speech recognition systems. In this work, we extend pseudo-labeling to massively multilingual speech recognition with 60 languages. We propose a simple pseudo-labeling recipe that works well even with low-resource languages: train a supervised multilingual model, fine-tune it with semi-supervised learning on a target language, generate pseudo-labels for that language, and train a final model using pseudo-labels for all languages, either from scratch or by fine-tuning. Experiments on the labeled Common Voice and unlabeled VoxPopuli datasets show that our recipe can yield a model with better performance for many languages that also transfers well to LibriSpeech.

Pseudo-relevance feedback mechanisms, from Rocchio to the relevance models, have shown the usefulness of expanding and reweighting the users' initial queries using information occurring in an initial set of retrieved documents, known as the pseudo-relevant set. Recently, dense retrieval -- through the use of neural contextual language models such as BERT for analysing the documents' and queries' contents and computing their relevance scores -- has shown a promising performance on several information retrieval tasks still relying on the traditional inverted index for identifying documents relevant to a query. Two different dense retrieval families have emerged: the use of single embedded representations for each passage and query (e.g. using BERT's [CLS] token), or via multiple representations (e.g. using an embedding for each token of the query and document). In this work, we conduct the first study into the potential for multiple representation dense retrieval to be enhanced using pseudo-relevance feedback. In particular, based on the pseudo-relevant set of documents identified using a first-pass dense retrieval, we extract representative feedback embeddings (using KMeans clustering) -- while ensuring that these embeddings discriminate among passages (based on IDF) -- which are then added to the query representation. These additional feedback embeddings are shown to both enhance the effectiveness of a reranking as well as an additional dense retrieval operation. Indeed, experiments on the MSMARCO passage ranking dataset show that MAP can be improved by upto 26% on the TREC 2019 query set and 10% on the TREC 2020 query set by the application of our proposed ColBERT-PRF method on a ColBERT dense retrieval approach.

Lip-reading aims to infer the speech content from the lip movement sequence and can be seen as a typical sequence-to-sequence (seq2seq) problem which translates the input image sequence of lip movements to the text sequence of the speech content. However, the traditional learning process of seq2seq models always suffers from two problems: the exposure bias resulted from the strategy of "teacher-forcing", and the inconsistency between the discriminative optimization target (usually the cross-entropy loss) and the final evaluation metric (usually the character/word error rate). In this paper, we propose a novel pseudo-convolutional policy gradient (PCPG) based method to address these two problems. On the one hand, we introduce the evaluation metric (refers to the character error rate in this paper) as a form of reward to optimize the model together with the original discriminative target. On the other hand, inspired by the local perception property of convolutional operation, we perform a pseudo-convolutional operation on the reward and loss dimension, so as to take more context around each time step into account to generate a robust reward and loss for the whole optimization. Finally, we perform a thorough comparison and evaluation on both the word-level and sentence-level benchmarks. The results show a significant improvement over other related methods, and report either a new state-of-the-art performance or a competitive accuracy on all these challenging benchmarks, which clearly proves the advantages of our approach.

Semi-supervised learning, i.e. jointly learning from labeled and unlabeled samples, is an active research topic due to its key role on relaxing human supervision. In the context of image classification, recent advances to learn from unlabeled samples are mainly focused on consistency regularization methods that encourage invariant predictions for different perturbations of unlabeled samples. We, conversely, propose to learn from unlabeled data by generating soft pseudo-labels using the network predictions. We show that a naive pseudo-labeling overfits to incorrect pseudo-labels due to the so-called confirmation bias and demonstrate that mixup augmentation and setting a minimum number of labeled samples per mini-batch are effective regularization techniques for reducing it. The proposed approach achieves state-of-the-art results in CIFAR-10/100, SVHN, and Mini-ImageNet despite being much simpler than other methods. These results demonstrate that pseudo-labeling alone can outperform consistency regularization methods, while the opposite was supposed in previous work. Source code is available at https://git.io/fjQsC.

We present Meta Pseudo Labels, a semi-supervised learning method that achieves a new state-of-the-art top-1 accuracy of 90.2% on ImageNet, which is 1.6% better than the existing state-of-the-art. Like Pseudo Labels, Meta Pseudo Labels has a teacher network to generate pseudo labels on unlabeled data to teach a student network. However, unlike Pseudo Labels where the teacher is fixed, the teacher in Meta Pseudo Labels is constantly adapted by the feedback of the student's performance on the labeled dataset. As a result, the teacher generates better pseudo labels to teach the student. Our code will be available at https://github.com/google-research/google-research/tree/master/meta_pseudo_labels.

In-context learning (ICL) enables Large Language Models (LLMs) to perform tasks using few demonstrations, facilitating task adaptation when labeled examples are hard to obtain. However, ICL is sensitive to the choice of demonstrations, and it remains unclear which demonstration attributes enable in-context generalization. In this work, we conduct a perturbation study of in-context demonstrations for low-resource Named Entity Detection (NED). Our surprising finding is that in-context demonstrations with partially correct annotated entity mentions can be as effective for task transfer as fully correct demonstrations. Based off our findings, we propose Pseudo-annotated In-Context Learning (PICLe), a framework for in-context learning with noisy, pseudo-annotated demonstrations. PICLe leverages LLMs to annotate many demonstrations in a zero-shot first pass. We then cluster these synthetic demonstrations, sample specific sets of in-context demonstrations from each cluster, and predict entity mentions using each set independently. Finally, we use self-verification to select the final set of entity mentions. We evaluate PICLe on five biomedical NED datasets and show that, with zero human annotation, PICLe outperforms ICL in low-resource settings where limited gold examples can be used as in-context demonstrations.

Safety-aligned large language models (LLMs) sometimes falsely refuse pseudo-harmful prompts, like "how to kill a mosquito," which are actually harmless. Frequent false refusals not only frustrate users but also provoke a public backlash against the very values alignment seeks to protect. In this paper, we propose the first method to auto-generate diverse, content-controlled, and model-dependent pseudo-harmful prompts. Using this method, we construct an evaluation dataset called PHTest, which is ten times larger than existing datasets, covers more false refusal patterns, and separately labels controversial prompts. We evaluate 20 LLMs on PHTest, uncovering new insights due to its scale and labeling. Our findings reveal a trade-off between minimizing false refusals and improving safety against jailbreak attacks. Moreover, we show that many jailbreak defenses significantly increase the false refusal rates, thereby undermining usability. Our method and dataset can help developers evaluate and fine-tune safer and more usable LLMs. Our code and dataset are available at https://github.com/umd-huang-lab/FalseRefusal

In the realm of cross-modal retrieval, seamlessly integrating diverse modalities within multimedia remains a formidable challenge, especially given the complexities introduced by noisy correspondence learning (NCL). Such noise often stems from mismatched data pairs, which is a significant obstacle distinct from traditional noisy labels. This paper introduces Pseudo-Classification based Pseudo-Captioning (PC^2) framework to address this challenge. PC^2 offers a threefold strategy: firstly, it establishes an auxiliary "pseudo-classification" task that interprets captions as categorical labels, steering the model to learn image-text semantic similarity through a non-contrastive mechanism. Secondly, unlike prevailing margin-based techniques, capitalizing on PC^2's pseudo-classification capability, we generate pseudo-captions to provide more informative and tangible supervision for each mismatched pair. Thirdly, the oscillation of pseudo-classification is borrowed to assistant the correction of correspondence. In addition to technical contributions, we develop a realistic NCL dataset called Noise of Web (NoW), which could be a new powerful NCL benchmark where noise exists naturally. Empirical evaluations of PC^2 showcase marked improvements over existing state-of-the-art robust cross-modal retrieval techniques on both simulated and realistic datasets with various NCL settings. The contributed dataset and source code are released at https://github.com/alipay/PC2-NoiseofWeb.

Deep learning has achieved impressive results in nuclei segmentation, but the massive requirement for pixel-wise labels remains a significant challenge. To alleviate the annotation burden, existing methods generate pseudo masks for model training using point labels. However, the generated masks are inevitably different from the ground truth, and these dissimilarities are not handled reasonably during the network training, resulting in the subpar performance of the segmentation model. To tackle this issue, we propose a framework named DoNuSeg, enabling Dynamic pseudo label Optimization in point-supervised Nuclei Segmentation. Specifically, DoNuSeg takes advantage of class activation maps (CAMs) to adaptively capture regions with semantics similar to annotated points. To leverage semantic diversity in the hierarchical feature levels, we design a dynamic selection module to choose the optimal one among CAMs from different encoder blocks as pseudo masks. Meanwhile, a CAM-guided contrastive module is proposed to further enhance the accuracy of pseudo masks. In addition to exploiting the semantic information provided by CAMs, we consider location priors inherent to point labels, developing a task-decoupled structure for effectively differentiating nuclei. Extensive experiments demonstrate that DoNuSeg outperforms state-of-the-art point-supervised methods. The code is available at https://github.com/shinning0821/MICCAI24-DoNuSeg.

Audio-Visual Source Localization (AVSL) is the task of identifying specific sounding objects in the scene given audio cues. In our work, we focus on semi-supervised AVSL with pseudo-labeling. To address the issues with vanilla hard pseudo-labels including bias accumulation, noise sensitivity, and instability, we propose a novel method named Cross Pseudo-Labeling (XPL), wherein two models learn from each other with the cross-refine mechanism to avoid bias accumulation. We equip XPL with two effective components. Firstly, the soft pseudo-labels with sharpening and pseudo-label exponential moving average mechanisms enable models to achieve gradual self-improvement and ensure stable training. Secondly, the curriculum data selection module adaptively selects pseudo-labels with high quality during training to mitigate potential bias. Experimental results demonstrate that XPL significantly outperforms existing methods, achieving state-of-the-art performance while effectively mitigating confirmation bias and ensuring training stability.

The challenge in sourcing attribution for forgery faces has gained widespread attention due to the rapid development of generative techniques. While many recent works have taken essential steps on GAN-generated faces, more threatening attacks related to identity swapping or expression transferring are still overlooked. And the forgery traces hidden in unknown attacks from the open-world unlabeled faces still remain under-explored. To push the related frontier research, we introduce a new benchmark called Open-World DeepFake Attribution (OW-DFA), which aims to evaluate attribution performance against various types of fake faces under open-world scenarios. Meanwhile, we propose a novel framework named Contrastive Pseudo Learning (CPL) for the OW-DFA task through 1) introducing a Global-Local Voting module to guide the feature alignment of forged faces with different manipulated regions, 2) designing a Confidence-based Soft Pseudo-label strategy to mitigate the pseudo-noise caused by similar methods in unlabeled set. In addition, we extend the CPL framework with a multi-stage paradigm that leverages pre-train technique and iterative learning to further enhance traceability performance. Extensive experiments verify the superiority of our proposed method on the OW-DFA and also demonstrate the interpretability of deepfake attribution task and its impact on improving the security of deepfake detection area.

High-quality data labeling from specific domains is costly and human time-consuming. In this work, we propose a self-supervised domain adaptation method, based upon an iterative pseudo-forced alignment algorithm. The produced alignments are employed to customize an end-to-end Automatic Speech Recognition (ASR) and iteratively refined. The algorithm is fed with frame-wise character posteriors produced by a seed ASR, trained with out-of-domain data, and optimized throughout a Connectionist Temporal Classification (CTC) loss. The alignments are computed iteratively upon a corpus of broadcast TV. The process is repeated by reducing the quantity of text to be aligned or expanding the alignment window until finding the best possible audio-text alignment. The starting timestamps, or temporal anchors, are produced uniquely based on the confidence score of the last aligned utterance. This score is computed with the paths of the CTC-alignment matrix. With this methodology, no human-revised text references are required. Alignments from long audio files with low-quality transcriptions, like TV captions, are filtered out by confidence score and ready for further ASR adaptation. The obtained results, on both the Spanish RTVE2022 and CommonVoice databases, underpin the feasibility of using CTC-based systems to perform: highly accurate audio-text alignments, domain adaptation and semi-supervised training of end-to-end ASR.

We demonstrate that a deep model can be reparametrized as a linear combination of several randomly initialized and frozen deep models in the weight space. During training, we seek local minima that reside within the subspace spanned by these random models (i.e., `basis' networks). Our framework, PRANC, enables significant compaction of a deep model. The model can be reconstructed using a single scalar `seed,' employed to generate the pseudo-random `basis' networks, together with the learned linear mixture coefficients. In practical applications, PRANC addresses the challenge of efficiently storing and communicating deep models, a common bottleneck in several scenarios, including multi-agent learning, continual learners, federated systems, and edge devices, among others. In this study, we employ PRANC to condense image classification models and compress images by compacting their associated implicit neural networks. PRANC outperforms baselines with a large margin on image classification when compressing a deep model almost 100 times. Moreover, we show that PRANC enables memory-efficient inference by generating layer-wise weights on the fly. The source code of PRANC is here: https://github.com/UCDvision/PRANC

In this paper, we study the semi-supervised semantic segmentation problem via exploring both labeled data and extra unlabeled data. We propose a novel consistency regularization approach, called cross pseudo supervision (CPS). Our approach imposes the consistency on two segmentation networks perturbed with different initialization for the same input image. The pseudo one-hot label map, output from one perturbed segmentation network, is used to supervise the other segmentation network with the standard cross-entropy loss, and vice versa. The CPS consistency has two roles: encourage high similarity between the predictions of two perturbed networks for the same input image, and expand training data by using the unlabeled data with pseudo labels. Experiment results show that our approach achieves the state-of-the-art semi-supervised segmentation performance on Cityscapes and PASCAL VOC 2012. Code is available at https://git.io/CPS.

Recent advances in semi-supervised object detection (SSOD) are largely driven by consistency-based pseudo-labeling methods for image classification tasks, producing pseudo labels as supervisory signals. However, when using pseudo labels, there is a lack of consideration in localization precision and amplified class imbalance, both of which are critical for detection tasks. In this paper, we introduce certainty-aware pseudo labels tailored for object detection, which can effectively estimate the classification and localization quality of derived pseudo labels. This is achieved by converting conventional localization as a classification task followed by refinement. Conditioned on classification and localization quality scores, we dynamically adjust the thresholds used to generate pseudo labels and reweight loss functions for each category to alleviate the class imbalance problem. Extensive experiments demonstrate that our method improves state-of-the-art SSOD performance by 1-2% AP on COCO and PASCAL VOC while being orthogonal and complementary to most existing methods. In the limited-annotation regime, our approach improves supervised baselines by up to 10% AP using only 1-10% labeled data from COCO.

Automatic music captioning, which generates natural language descriptions for given music tracks, holds significant potential for enhancing the understanding and organization of large volumes of musical data. Despite its importance, researchers face challenges due to the costly and time-consuming collection process of existing music-language datasets, which are limited in size. To address this data scarcity issue, we propose the use of large language models (LLMs) to artificially generate the description sentences from large-scale tag datasets. This results in approximately 2.2M captions paired with 0.5M audio clips. We term it Large Language Model based Pseudo music caption dataset, shortly, LP-MusicCaps. We conduct a systemic evaluation of the large-scale music captioning dataset with various quantitative evaluation metrics used in the field of natural language processing as well as human evaluation. In addition, we trained a transformer-based music captioning model with the dataset and evaluated it under zero-shot and transfer-learning settings. The results demonstrate that our proposed approach outperforms the supervised baseline model.

In this paper, we propose a novel learning approach for feed-forward one-shot 4D head avatar synthesis. Different from existing methods that often learn from reconstructing monocular videos guided by 3DMM, we employ pseudo multi-view videos to learn a 4D head synthesizer in a data-driven manner, avoiding reliance on inaccurate 3DMM reconstruction that could be detrimental to the synthesis performance. The key idea is to first learn a 3D head synthesizer using synthetic multi-view images to convert monocular real videos into multi-view ones, and then utilize the pseudo multi-view videos to learn a 4D head synthesizer via cross-view self-reenactment. By leveraging a simple vision transformer backbone with motion-aware cross-attentions, our method exhibits superior performance compared to previous methods in terms of reconstruction fidelity, geometry consistency, and motion control accuracy. We hope our method offers novel insights into integrating 3D priors with 2D supervisions for improved 4D head avatar creation.

Prompting with natural language instructions has recently emerged as a popular method of harnessing the capabilities of large language models. Given the inherent ambiguity present in natural language, it is intuitive to consider the possible advantages of prompting with less ambiguous prompt styles, such as the use of pseudo-code. In this paper we explore if prompting via pseudo-code instructions helps improve the performance of pre-trained language models. We manually create a dataset of pseudo-code prompts for 132 different tasks spanning classification, QA and generative language tasks, sourced from the Super-NaturalInstructions dataset. Using these prompts along with their counterparts in natural language, we study their performance on two LLM families - BLOOM and CodeGen. Our experiments show that using pseudo-code instructions leads to better results, with an average increase (absolute) of 7-16 points in F1 scores for classification tasks and an improvement (relative) of 12-38% in aggregate ROUGE-L scores across all tasks. We include detailed ablation studies which indicate that code comments, docstrings, and the structural clues encoded in pseudo-code all contribute towards the improvement in performance. To the best of our knowledge our work is the first to demonstrate how pseudo-code prompts can be helpful in improving the performance of pre-trained LMs.

Exploring robust and efficient association methods has always been an important issue in multiple-object tracking (MOT). Although existing tracking methods have achieved impressive performance, congestion and frequent occlusions still pose challenging problems in multi-object tracking. We reveal that performing sparse decomposition on dense scenes is a crucial step to enhance the performance of associating occluded targets. To this end, we propose a pseudo-depth estimation method for obtaining the relative depth of targets from 2D images. Secondly, we design a depth cascading matching (DCM) algorithm, which can use the obtained depth information to convert a dense target set into multiple sparse target subsets and perform data association on these sparse target subsets in order from near to far. By integrating the pseudo-depth method and the DCM strategy into the data association process, we propose a new tracker, called SparseTrack. SparseTrack provides a new perspective for solving the challenging crowded scene MOT problem. Only using IoU matching, SparseTrack achieves comparable performance with the state-of-the-art (SOTA) methods on the MOT17 and MOT20 benchmarks. Code and models are publicly available at https://github.com/hustvl/SparseTrack.

Inspired by the fact that the neural network, as the mainstream for machine learning, has brought successes in many application areas, here we propose to use this approach for decoding hidden correlation among pseudo-random data and predicting events accordingly. With a simple neural network structure and a typical training procedure, we demonstrate the learning and prediction power of the neural network in extremely random environment. Finally, we postulate that the high sensitivity and efficiency of the neural network may allow to critically test if there could be any fundamental difference between quantum randomness and pseudo randomness, which is equivalent to the question: Does God play dice?

Semantic segmentation of SAR images has garnered significant attention in remote sensing due to the immunity of SAR sensors to cloudy weather and light conditions. Nevertheless, SAR imagery lacks detailed information and is plagued by significant speckle noise, rendering the annotation or segmentation of SAR images a formidable task. Recent efforts have resorted to annotating paired optical-SAR images to generate pseudo-labels through the utilization of an optical image segmentation network. However, these pseudo-labels are laden with noise, leading to suboptimal performance in SAR image segmentation. In this study, we introduce a more precise method for generating pseudo-labels by incorporating semi-supervised learning alongside a novel image resolution alignment augmentation. Furthermore, we introduce a symmetric cross-entropy loss to mitigate the impact of noisy pseudo-labels. Additionally, a bag of training and testing tricks is utilized to generate better land-cover mapping results. Our experiments on the GRSS data fusion contest indicate the effectiveness of the proposed method, which achieves first place. The code is available at https://github.com/StuLiu/DFC2025Track1.git.

Diffusion models are known to be vulnerable to outliers in training data. In this paper we study an alternative diffusion loss function, which can preserve the high quality of generated data like the original squared L_{2} loss while at the same time being robust to outliers. We propose to use pseudo-Huber loss function with a time-dependent parameter to allow for the trade-off between robustness on the most vulnerable early reverse-diffusion steps and fine details restoration on the final steps. We show that pseudo-Huber loss with the time-dependent parameter exhibits better performance on corrupted datasets in both image and audio domains. In addition, the loss function we propose can potentially help diffusion models to resist dataset corruption while not requiring data filtering or purification compared to conventional training algorithms.

In this work, we introduce Multiple Embedding Model for EHR (MEME), an approach that views Electronic Health Records (EHR) as multimodal data. This approach incorporates "pseudo-notes", textual representations of tabular EHR concepts such as diagnoses and medications, and allows us to effectively employ Large Language Models (LLMs) for EHR representation. This framework also adopts a multimodal approach, embedding each EHR modality separately. We demonstrate the effectiveness of MEME by applying it to several tasks within the Emergency Department across multiple hospital systems. Our findings show that MEME surpasses the performance of both single modality embedding methods and traditional machine learning approaches. However, we also observe notable limitations in generalizability across hospital institutions for all tested models.

Molecule discovery serves as a cornerstone in numerous scientific domains, fueling the development of new materials and innovative drug designs. Recent developments of in-silico molecule discovery have highlighted the promising results of cross-modal techniques, which bridge molecular structures with their descriptive annotations. However, these cross-modal methods frequently encounter the issue of data scarcity, hampering their performance and application. In this paper, we address the low-resource challenge by utilizing artificially-real data generated by Large Language Models (LLMs). We first introduce a retrieval-based prompting strategy to construct high-quality pseudo data, then explore the optimal method to effectively leverage this pseudo data. Experiments show that using pseudo data for domain adaptation outperforms all existing methods, while also requiring a smaller model scale, reduced data size and lower training cost, highlighting its efficiency. Furthermore, our method shows a sustained improvement as the volume of pseudo data increases, revealing the great potential of pseudo data in advancing low-resource cross-modal molecule discovery.

The pre-training task is indispensable for the text-to-image person re-identification (T2I-ReID) task. However, there are two underlying inconsistencies between these two tasks that may impact the performance; i) Data inconsistency. A large domain gap exists between the generic images/texts used in public pre-trained models and the specific person data in the T2I-ReID task. This gap is especially severe for texts, as general textual data are usually unable to describe specific people in fine-grained detail. ii) Training inconsistency. The processes of pre-training of images and texts are independent, despite cross-modality learning being critical to T2I-ReID. To address the above issues, we present a new unified pre-training pipeline (UniPT) designed specifically for the T2I-ReID task. We first build a large-scale text-labeled person dataset "LUPerson-T", in which pseudo-textual descriptions of images are automatically generated by the CLIP paradigm using a divide-conquer-combine strategy. Benefiting from this dataset, we then utilize a simple vision-and-language pre-training framework to explicitly align the feature space of the image and text modalities during pre-training. In this way, the pre-training task and the T2I-ReID task are made consistent with each other on both data and training levels. Without the need for any bells and whistles, our UniPT achieves competitive Rank-1 accuracy of, ie, 68.50%, 60.09%, and 51.85% on CUHK-PEDES, ICFG-PEDES and RSTPReid, respectively. Both the LUPerson-T dataset and code are available at https;//github.com/ZhiyinShao-H/UniPT.

Music source separation (MSS) faces challenges due to the limited availability of correctly-labeled individual instrument tracks. With the push to acquire larger datasets to improve MSS performance, the inevitability of encountering mislabeled individual instrument tracks becomes a significant challenge to address. This paper introduces an automated technique for refining the labels in a partially mislabeled dataset. Our proposed self-refining technique, employed with a noisy-labeled dataset, results in only a 1% accuracy degradation in multi-label instrument recognition compared to a classifier trained on a clean-labeled dataset. The study demonstrates the importance of refining noisy-labeled data in MSS model training and shows that utilizing the refined dataset leads to comparable results derived from a clean-labeled dataset. Notably, upon only access to a noisy dataset, MSS models trained on a self-refined dataset even outperform those trained on a dataset refined with a classifier trained on clean labels.

The crux of label-efficient semantic segmentation is to produce high-quality pseudo-labels to leverage a large amount of unlabeled or weakly labeled data. A common practice is to select the highly confident predictions as the pseudo-ground-truths for each pixel, but it leads to a problem that most pixels may be left unused due to their unreliability. However, we argue that every pixel matters to the model training, even those unreliable and ambiguous pixels. Intuitively, an unreliable prediction may get confused among the top classes, however, it should be confident about the pixel not belonging to the remaining classes. Hence, such a pixel can be convincingly treated as a negative key to those most unlikely categories. Therefore, we develop an effective pipeline to make sufficient use of unlabeled data. Concretely, we separate reliable and unreliable pixels via the entropy of predictions, push each unreliable pixel to a category-wise queue that consists of negative keys, and manage to train the model with all candidate pixels. Considering the training evolution, we adaptively adjust the threshold for the reliable-unreliable partition. Experimental results on various benchmarks and training settings demonstrate the superiority of our approach over the state-of-the-art alternatives.

We present Self Meta Pseudo Labels, a novel semi-supervised learning method similar to Meta Pseudo Labels but without the teacher model. We introduce a novel way to use a single model for both generating pseudo labels and classification, allowing us to store only one model in memory instead of two. Our method attains similar performance to the Meta Pseudo Labels method while drastically reducing memory usage.

Automatically understanding emotions from visual data is a fundamental task for human behaviour understanding. While models devised for Facial Expression Recognition (FER) have demonstrated excellent performances on many datasets, they often suffer from severe performance degradation when trained and tested on different datasets due to domain shift. In addition, as face images are considered highly sensitive data, the accessibility to large-scale datasets for model training is often denied. In this work, we tackle the above-mentioned problems by proposing the first Source-Free Unsupervised Domain Adaptation (SFUDA) method for FER. Our method exploits self-supervised pretraining to learn good feature representations from the target data and proposes a novel and robust cluster-level pseudo-labelling strategy that accounts for in-cluster statistics. We validate the effectiveness of our method in four adaptation setups, proving that it consistently outperforms existing SFUDA methods when applied to FER, and is on par with methods addressing FER in the UDA setting.

Video semantic segmentation has achieved great progress under the supervision of large amounts of labelled training data. However, domain adaptive video segmentation, which can mitigate data labelling constraints by adapting from a labelled source domain toward an unlabelled target domain, is largely neglected. We design temporal pseudo supervision (TPS), a simple and effective method that explores the idea of consistency training for learning effective representations from unlabelled target videos. Unlike traditional consistency training that builds consistency in spatial space, we explore consistency training in spatiotemporal space by enforcing model consistency across augmented video frames which helps learn from more diverse target data. Specifically, we design cross-frame pseudo labelling to provide pseudo supervision from previous video frames while learning from the augmented current video frames. The cross-frame pseudo labelling encourages the network to produce high-certainty predictions, which facilitates consistency training with cross-frame augmentation effectively. Extensive experiments over multiple public datasets show that TPS is simpler to implement, much more stable to train, and achieves superior video segmentation accuracy as compared with the state-of-the-art.

Dense retrieval approaches can overcome the lexical gap and lead to significantly improved search results. However, they require large amounts of training data which is not available for most domains. As shown in previous work (Thakur et al., 2021b), the performance of dense retrievers severely degrades under a domain shift. This limits the usage of dense retrieval approaches to only a few domains with large training datasets. In this paper, we propose the novel unsupervised domain adaptation method Generative Pseudo Labeling (GPL), which combines a query generator with pseudo labeling from a cross-encoder. On six representative domain-specialized datasets, we find the proposed GPL can outperform an out-of-the-box state-of-the-art dense retrieval approach by up to 9.3 points nDCG@10. GPL requires less (unlabeled) data from the target domain and is more robust in its training than previous methods. We further investigate the role of six recent pre-training methods in the scenario of domain adaptation for retrieval tasks, where only three could yield improved results. The best approach, TSDAE (Wang et al., 2021) can be combined with GPL, yielding another average improvement of 1.4 points nDCG@10 across the six tasks. The code and the models are available at https://github.com/UKPLab/gpl.

Query expansion with pseudo-relevance feedback (PRF) is a powerful approach to enhance the effectiveness in information retrieval. Recently, with the rapid advance of deep learning techniques, neural text generation has achieved promising success in many natural language tasks. To leverage the strength of text generation for information retrieval, in this article, we propose a novel approach which effectively integrates text generation models into PRF-based query expansion. In particular, our approach generates augmented query terms via neural text generation models conditioned on both the initial query and pseudo-relevance feedback. Moreover, in order to train the generative model, we adopt the conditional generative adversarial nets (CGANs) and propose the PRF-CGAN method in which both the generator and the discriminator are conditioned on the pseudo-relevance feedback. We evaluate the performance of our approach on information retrieval tasks using two benchmark datasets. The experimental results show that our approach achieves comparable performance or outperforms traditional query expansion methods on both the retrieval and reranking tasks.

Despite that deep learning has achieved state-of-the-art performance for medical image segmentation, its success relies on a large set of manually annotated images for training that are expensive to acquire. In this paper, we propose an annotation-efficient learning framework for segmentation tasks that avoids annotations of training images, where we use an improved Cycle-Consistent Generative Adversarial Network (GAN) to learn from a set of unpaired medical images and auxiliary masks obtained either from a shape model or public datasets. We first use the GAN to generate pseudo labels for our training images under the implicit high-level shape constraint represented by a Variational Auto-encoder (VAE)-based discriminator with the help of the auxiliary masks, and build a Discriminator-guided Generator Channel Calibration (DGCC) module which employs our discriminator's feedback to calibrate the generator for better pseudo labels. To learn from the pseudo labels that are noisy, we further introduce a noise-robust iterative learning method using noise-weighted Dice loss. We validated our framework with two situations: objects with a simple shape model like optic disc in fundus images and fetal head in ultrasound images, and complex structures like lung in X-Ray images and liver in CT images. Experimental results demonstrated that 1) Our VAE-based discriminator and DGCC module help to obtain high-quality pseudo labels. 2) Our proposed noise-robust learning method can effectively overcome the effect of noisy pseudo labels. 3) The segmentation performance of our method without using annotations of training images is close or even comparable to that of learning from human annotations.

Conditional normalizing flows can generate diverse image samples for solving inverse problems. Most normalizing flows for inverse problems in imaging employ the conditional affine coupling layer that can generate diverse images quickly. However, unintended severe artifacts are occasionally observed in the output of them. In this work, we address this critical issue by investigating the origins of these artifacts and proposing the conditions to avoid them. First of all, we empirically and theoretically reveal that these problems are caused by "exploding inverse" in the conditional affine coupling layer for certain out-of-distribution (OOD) conditional inputs. Then, we further validated that the probability of causing erroneous artifacts in pixels is highly correlated with a Mahalanobis distance-based OOD score for inverse problems in imaging. Lastly, based on our investigations, we propose a remark to avoid exploding inverse and then based on it, we suggest a simple remedy that substitutes the affine coupling layers with the modified rational quadratic spline coupling layers in normalizing flows, to encourage the robustness of generated image samples. Our experimental results demonstrated that our suggested methods effectively suppressed critical artifacts occurring in normalizing flows for super-resolution space generation and low-light image enhancement.

Most state-of-the-art point trackers are trained on synthetic data due to the difficulty of annotating real videos for this task. However, this can result in suboptimal performance due to the statistical gap between synthetic and real videos. In order to understand these issues better, we introduce CoTracker3, comprising a new tracking model and a new semi-supervised training recipe. This allows real videos without annotations to be used during training by generating pseudo-labels using off-the-shelf teachers. The new model eliminates or simplifies components from previous trackers, resulting in a simpler and often smaller architecture. This training scheme is much simpler than prior work and achieves better results using 1,000 times less data. We further study the scaling behaviour to understand the impact of using more real unsupervised data in point tracking. The model is available in online and offline variants and reliably tracks visible and occluded points.

Preference optimization techniques, such as Direct Preference Optimization (DPO), are frequently employed to enhance the reasoning capabilities of large language models (LLMs) in domains like mathematical reasoning and coding, typically following supervised fine-tuning. These methods rely on high-quality labels for reasoning tasks to generate preference pairs; however, the availability of reasoning datasets with human-verified labels is limited. In this study, we introduce a novel approach to generate pseudo feedback for reasoning tasks by framing the labeling of solutions to reason problems as an evaluation against associated test cases. We explore two forms of pseudo feedback based on test cases: one generated by frontier LLMs and the other by extending self-consistency to multi-test-case. We conduct experiments on both mathematical reasoning and coding tasks using pseudo feedback for preference optimization, and observe improvements across both tasks. Specifically, using Mathstral-7B as our base model, we improve MATH results from 58.3 to 68.6, surpassing both NuminaMath-72B and GPT-4-Turbo-1106-preview. In GSM8K and College Math, our scores increase from 85.6 to 90.3 and from 34.3 to 42.3, respectively. Building on Deepseek-coder-7B-v1.5, we achieve a score of 24.6 on LiveCodeBench (from 21.1), surpassing Claude-3-Haiku.

Contrastive language image pretraining (CLIP) is a standard method for training vision-language models. While CLIP is scalable, promptable, and robust to distribution shifts on image classification tasks, it lacks object localization capabilities. This paper studies the following question: Can we augment CLIP training with task-specific vision models from model zoos to improve its visual representations? Towards this end, we leverage open-source task-specific vision models to generate pseudo-labels for an uncurated and noisy image-text dataset. Subsequently, we train CLIP models on these pseudo-labels in addition to the contrastive training on image and text pairs. This simple setup shows substantial improvements of up to 16.3% across different vision tasks, including segmentation, detection, depth estimation, and surface normal estimation. Importantly, these enhancements are achieved without compromising CLIP's existing capabilities, including its proficiency in promptable zero-shot classification.

Instance segmentation on 3D point clouds (3DIS) is a longstanding challenge in computer vision, where state-of-the-art methods are mainly based on full supervision. As annotating ground truth dense instance masks is tedious and expensive, solving 3DIS with weak supervision has become more practical. In this paper, we propose GaPro, a new instance segmentation for 3D point clouds using axis-aligned 3D bounding box supervision. Our two-step approach involves generating pseudo labels from box annotations and training a 3DIS network with the resulting labels. Additionally, we employ the self-training strategy to improve the performance of our method further. We devise an effective Gaussian Process to generate pseudo instance masks from the bounding boxes and resolve ambiguities when they overlap, resulting in pseudo instance masks with their uncertainty values. Our experiments show that GaPro outperforms previous weakly supervised 3D instance segmentation methods and has competitive performance compared to state-of-the-art fully supervised ones. Furthermore, we demonstrate the robustness of our approach, where we can adapt various state-of-the-art fully supervised methods to the weak supervision task by using our pseudo labels for training. The source code and trained models are available at https://github.com/VinAIResearch/GaPro.

In this study, we tackle the challenge of limited labeled data for low-resource languages in ASR, focusing on Hindi. Specifically, we explore pseudo-labeling, by proposing a generic framework combining multiple ideas from existing works. Our framework integrates multiple base models for transcription and evaluators for assessing audio-transcript pairs, resulting in robust pseudo-labeling for low resource languages. We validate our approach with a new benchmark, IndicYT, comprising diverse YouTube audio files from multiple content categories. Our findings show that augmenting pseudo labeled data from YouTube with existing training data leads to significant performance improvements on IndicYT, without affecting performance on out-of-domain benchmarks, demonstrating the efficacy of pseudo-labeled data in enhancing ASR capabilities for low-resource languages. The benchmark, code and models developed as a part of this work will be made publicly available.

Existing Camouflaged Object Detection (COD) methods rely heavily on large-scale pixel-annotated training sets, which are both time-consuming and labor-intensive. Although weakly supervised methods offer higher annotation efficiency, their performance is far behind due to the unclear visual demarcations between foreground and background in camouflaged images. In this paper, we explore the potential of using boxes as prompts in camouflaged scenes and introduce the first weakly semi-supervised COD method, aiming for budget-efficient and high-precision camouflaged object segmentation with an extremely limited number of fully labeled images. Critically, learning from such limited set inevitably generates pseudo labels with serious noisy pixels. To address this, we propose a noise correction loss that facilitates the model's learning of correct pixels in the early learning stage, and corrects the error risk gradients dominated by noisy pixels in the memorization stage, ultimately achieving accurate segmentation of camouflaged objects from noisy labels. When using only 20% of fully labeled data, our method shows superior performance over the state-of-the-art methods.

Dense retrieval methods have demonstrated promising performance in multilingual information retrieval, where queries and documents can be in different languages. However, dense retrievers typically require a substantial amount of paired data, which poses even greater challenges in multilingual scenarios. This paper introduces UMR, an Unsupervised Multilingual dense Retriever trained without any paired data. Our approach leverages the sequence likelihood estimation capabilities of multilingual language models to acquire pseudo labels for training dense retrievers. We propose a two-stage framework which iteratively improves the performance of multilingual dense retrievers. Experimental results on two benchmark datasets show that UMR outperforms supervised baselines, showcasing the potential of training multilingual retrievers without paired data, thereby enhancing their practicality. Our source code, data, and models are publicly available at https://github.com/MiuLab/UMR

In this paper, we introduce PI3D, a novel and efficient framework that utilizes the pre-trained text-to-image diffusion models to generate high-quality 3D shapes in minutes. On the one hand, it fine-tunes a pre-trained 2D diffusion model into a 3D diffusion model, enabling both 3D generative capabilities and generalization derived from the 2D model. On the other, it utilizes score distillation sampling of 2D diffusion models to quickly improve the quality of the sampled 3D shapes. PI3D enables the migration of knowledge from image to triplane generation by treating it as a set of pseudo-images. We adapt the modules in the pre-training model to enable hybrid training using pseudo and real images, which has proved to be a well-established strategy for improving generalizability. The efficiency of PI3D is highlighted by its ability to sample diverse 3D models in seconds and refine them in minutes. The experimental results confirm the advantages of PI3D over existing methods based on either 3D diffusion models or lifting 2D diffusion models in terms of fast generation of 3D consistent and high-quality models. The proposed PI3D stands as a promising advancement in the field of text-to-3D generation, and we hope it will inspire more research into 3D generation leveraging the knowledge in both 2D and 3D data.

Open-world instance segmentation is the task of grouping pixels into object instances without any pre-determined taxonomy. This is challenging, as state-of-the-art methods rely on explicit class semantics obtained from large labeled datasets, and out-of-domain evaluation performance drops significantly. Here we propose a novel approach for mask proposals, Generic Grouping Networks (GGNs), constructed without semantic supervision. Our approach combines a local measure of pixel affinity with instance-level mask supervision, producing a training regimen designed to make the model as generic as the data diversity allows. We introduce a method for predicting Pairwise Affinities (PA), a learned local relationship between pairs of pixels. PA generalizes very well to unseen categories. From PA we construct a large set of pseudo-ground-truth instance masks; combined with human-annotated instance masks we train GGNs and significantly outperform the SOTA on open-world instance segmentation on various benchmarks including COCO, LVIS, ADE20K, and UVO. Code is available on project website: https://sites.google.com/view/generic-grouping/.

The crux of semi-supervised semantic segmentation is to assign adequate pseudo-labels to the pixels of unlabeled images. A common practice is to select the highly confident predictions as the pseudo ground-truth, but it leads to a problem that most pixels may be left unused due to their unreliability. We argue that every pixel matters to the model training, even its prediction is ambiguous. Intuitively, an unreliable prediction may get confused among the top classes (i.e., those with the highest probabilities), however, it should be confident about the pixel not belonging to the remaining classes. Hence, such a pixel can be convincingly treated as a negative sample to those most unlikely categories. Based on this insight, we develop an effective pipeline to make sufficient use of unlabeled data. Concretely, we separate reliable and unreliable pixels via the entropy of predictions, push each unreliable pixel to a category-wise queue that consists of negative samples, and manage to train the model with all candidate pixels. Considering the training evolution, where the prediction becomes more and more accurate, we adaptively adjust the threshold for the reliable-unreliable partition. Experimental results on various benchmarks and training settings demonstrate the superiority of our approach over the state-of-the-art alternatives.

Training with sparse annotations is known to reduce the performance of object detectors. Previous methods have focused on proxies for missing ground truth annotations in the form of pseudo-labels for unlabeled boxes. We observe that existing methods suffer at higher levels of sparsity in the data due to noisy pseudo-labels. To prevent this, we propose an end-to-end system that learns to separate the proposals into labeled and unlabeled regions using Pseudo-positive mining. While the labeled regions are processed as usual, self-supervised learning is used to process the unlabeled regions thereby preventing the negative effects of noisy pseudo-labels. This novel approach has multiple advantages such as improved robustness to higher sparsity when compared to existing methods. We conduct exhaustive experiments on five splits on the PASCAL-VOC and COCO datasets achieving state-of-the-art performance. We also unify various splits used across literature for this task and present a standardized benchmark. On average, we improve by 2.6, 3.9 and 9.6 mAP over previous state-of-the-art methods on three splits of increasing sparsity on COCO. Our project is publicly available at https://www.cs.umd.edu/~sakshams/SparseDet.

Diabetic foot ulcers are a common manifestation of lesions on the diabetic foot, a syndrome acquired as a long-term complication of diabetes mellitus. Accompanying neuropathy and vascular damage promote acquisition of pressure injuries and tissue death due to ischaemia. Affected areas are prone to infections, hindering the healing progress. The research at hand investigates an approach on classification of infection and ischaemia, conducted as part of the Diabetic Foot Ulcer Challenge (DFUC) 2021. Different models of the EfficientNet family are utilized in ensembles. An extension strategy for the training data is applied, involving pseudo-labeling for unlabeled images, and extensive generation of synthetic images via pix2pixHD to cope with severe class imbalances. The resulting extended training dataset features 8.68 times the size of the baseline and shows a real to synthetic image ratio of 1:3. Performances of models and ensembles trained on the baseline and extended training dataset are compared. Synthetic images featured a broad qualitative variety. Results show that models trained on the extended training dataset as well as their ensemble benefit from the large extension. F1-Scores for rare classes receive outstanding boosts, while those for common classes are either not harmed or boosted moderately. A critical discussion concretizes benefits and identifies limitations, suggesting improvements. The work concludes that classification performance of individual models as well as that of ensembles can be boosted utilizing synthetic images. Especially performance for rare classes benefits notably.

Dense retrieval systems conduct first-stage retrieval using embedded representations and simple similarity metrics to match a query to documents. Its effectiveness depends on encoded embeddings to capture the semantics of queries and documents, a challenging task due to the shortness and ambiguity of search queries. This paper proposes ANCE-PRF, a new query encoder that uses pseudo relevance feedback (PRF) to improve query representations for dense retrieval. ANCE-PRF uses a BERT encoder that consumes the query and the top retrieved documents from a dense retrieval model, ANCE, and it learns to produce better query embeddings directly from relevance labels. It also keeps the document index unchanged to reduce overhead. ANCE-PRF significantly outperforms ANCE and other recent dense retrieval systems on several datasets. Analysis shows that the PRF encoder effectively captures the relevant and complementary information from PRF documents, while ignoring the noise with its learned attention mechanism.

The capability of the traditional semi-supervised learning (SSL) methods is far from real-world application due to severely biased pseudo-labels caused by (1) class imbalance and (2) class distribution mismatch between labeled and unlabeled data. This paper addresses such a relatively under-explored problem. First, we propose a general pseudo-labeling framework that class-adaptively blends the semantic pseudo-label from a similarity-based classifier to the linear one from the linear classifier, after making the observation that both types of pseudo-labels have complementary properties in terms of bias. We further introduce a novel semantic alignment loss to establish balanced feature representation to reduce the biased predictions from the classifier. We term the whole framework as Distribution-Aware Semantics-Oriented (DASO) Pseudo-label. We conduct extensive experiments in a wide range of imbalanced benchmarks: CIFAR10/100-LT, STL10-LT, and large-scale long-tailed Semi-Aves with open-set class, and demonstrate that, the proposed DASO framework reliably improves SSL learners with unlabeled data especially when both (1) class imbalance and (2) distribution mismatch dominate.

Recently, the retrieval models based on dense representations have been gradually applied in the first stage of the document retrieval tasks, showing better performance than traditional sparse vector space models. To obtain high efficiency, the basic structure of these models is Bi-encoder in most cases. However, this simple structure may cause serious information loss during the encoding of documents since the queries are agnostic. To address this problem, we design a method to mimic the queries on each of the documents by an iterative clustering process and represent the documents by multiple pseudo queries (i.e., the cluster centroids). To boost the retrieval process using approximate nearest neighbor search library, we also optimize the matching function with a two-step score calculation procedure. Experimental results on several popular ranking and QA datasets show that our model can achieve state-of-the-art results.

Accelerated magnetic resonance (MR) imaging attempts to reduce acquisition time by collecting data below the Nyquist rate. As an ill-posed inverse problem, many plausible solutions exist, yet the majority of deep learning approaches generate only a single solution. We instead focus on sampling from the posterior distribution, which provides more comprehensive information for downstream inference tasks. To do this, we design a novel conditional normalizing flow (CNF) that infers the signal component in the measurement operator's nullspace, which is later combined with measured data to form complete images. Using fastMRI brain and knee data, we demonstrate fast inference and accuracy that surpasses recent posterior sampling techniques for MRI. Code is available at https://github.com/jwen307/mri_cnf/

We present a novel deep learning approach to approximate the solution of large, sparse, symmetric, positive-definite linear systems of equations. These systems arise from many problems in applied science, e.g., in numerical methods for partial differential equations. Algorithms for approximating the solution to these systems are often the bottleneck in problems that require their solution, particularly for modern applications that require many millions of unknowns. Indeed, numerical linear algebra techniques have been investigated for many decades to alleviate this computational burden. Recently, data-driven techniques have also shown promise for these problems. Motivated by the conjugate gradients algorithm that iteratively selects search directions for minimizing the matrix norm of the approximation error, we design an approach that utilizes a deep neural network to accelerate convergence via data-driven improvement of the search directions. Our method leverages a carefully chosen convolutional network to approximate the action of the inverse of the linear operator up to an arbitrary constant. We train the network using unsupervised learning with a loss function equal to the L^2 difference between an input and the system matrix times the network evaluation, where the unspecified constant in the approximate inverse is accounted for. We demonstrate the efficacy of our approach on spatially discretized Poisson equations with millions of degrees of freedom arising in computational fluid dynamics applications. Unlike state-of-the-art learning approaches, our algorithm is capable of reducing the linear system residual to a given tolerance in a small number of iterations, independent of the problem size. Moreover, our method generalizes effectively to various systems beyond those encountered during training.

Image relighting is the task of showing what a scene from a source image would look like if illuminated differently. Inverse graphics schemes recover an explicit representation of geometry and a set of chosen intrinsics, then relight with some form of renderer. However error control for inverse graphics is difficult, and inverse graphics methods can represent only the effects of the chosen intrinsics. This paper describes a relighting method that is entirely data-driven, where intrinsics and lighting are each represented as latent variables. Our approach produces SOTA relightings of real scenes, as measured by standard metrics. We show that albedo can be recovered from our latent intrinsics without using any example albedos, and that the albedos recovered are competitive with SOTA methods.

Posterior sampling has been shown to be a powerful Bayesian approach for solving imaging inverse problems. The recent plug-and-play unadjusted Langevin algorithm (PnP-ULA) has emerged as a promising method for Monte Carlo sampling and minimum mean squared error (MMSE) estimation by combining physical measurement models with deep-learning priors specified using image denoisers. However, the intricate relationship between the sampling distribution of PnP-ULA and the mismatched data-fidelity and denoiser has not been theoretically analyzed. We address this gap by proposing a posterior-L2 pseudometric and using it to quantify an explicit error bound for PnP-ULA under mismatched posterior distribution. We numerically validate our theory on several inverse problems such as sampling from Gaussian mixture models and image deblurring. Our results suggest that the sensitivity of the sampling distribution of PnP-ULA to a mismatch in the measurement model and the denoiser can be precisely characterized.

Counterfactual explanations are attracting significant attention due to the flourishing applications of machine learning models in consequential domains. A counterfactual plan consists of multiple possibilities to modify a given instance so that the model's prediction will be altered. As the predictive model can be updated subject to the future arrival of new data, a counterfactual plan may become ineffective or infeasible with respect to the future values of the model parameters. In this work, we study the counterfactual plans under model uncertainty, in which the distribution of the model parameters is partially prescribed using only the first- and second-moment information. First, we propose an uncertainty quantification tool to compute the lower and upper bounds of the probability of validity for any given counterfactual plan. We then provide corrective methods to adjust the counterfactual plan to improve the validity measure. The numerical experiments validate our bounds and demonstrate that our correction increases the robustness of the counterfactual plans in different real-world datasets.

Inverse rendering methods aim to estimate geometry, materials and illumination from multi-view RGB images. In order to achieve better decomposition, recent approaches attempt to model indirect illuminations reflected from different materials via Spherical Gaussians (SG), which, however, tends to blur the high-frequency reflection details. In this paper, we propose an end-to-end inverse rendering pipeline that decomposes materials and illumination from multi-view images, while considering near-field indirect illumination. In a nutshell, we introduce the Monte Carlo sampling based path tracing and cache the indirect illumination as neural radiance, enabling a physics-faithful and easy-to-optimize inverse rendering method. To enhance efficiency and practicality, we leverage SG to represent the smooth environment illuminations and apply importance sampling techniques. To supervise indirect illuminations from unobserved directions, we develop a novel radiance consistency constraint between implicit neural radiance and path tracing results of unobserved rays along with the joint optimization of materials and illuminations, thus significantly improving the decomposition performance. Extensive experiments demonstrate that our method outperforms the state-of-the-art on multiple synthetic and real datasets, especially in terms of inter-reflection decomposition.Our code and data are available at https://woolseyyy.github.io/nefii/.

Solving Bayesian inverse problems efficiently remains a significant challenge due to the complexity of posterior distributions and the computational cost of traditional sampling methods. Given a series of observations and the forward model, we want to recover the distribution of the parameters, conditioned on observed experimental data. We show, that combining Conditional Flow Mathching (CFM) with transformer-based architecture, we can efficiently sample from such kind of distribution, conditioned on variable number of observations.

Inverse protein folding -- the task of predicting a protein sequence from its backbone atom coordinates -- has surfaced as an important problem in the "top down", de novo design of proteins. Contemporary approaches have cast this problem as a conditional generative modelling problem, where a large generative model over protein sequences is conditioned on the backbone. While these generative models very rapidly produce promising sequences, independent draws from generative models may fail to produce sequences that reliably fold to the correct backbone. Furthermore, it is challenging to adapt pure generative approaches to other settings, e.g., when constraints exist. In this paper, we cast the problem of improving generated inverse folds as an optimization problem that we solve using recent advances in "deep" or "latent space" Bayesian optimization. Our approach consistently produces protein sequences with greatly reduced structural error to the target backbone structure as measured by TM score and RMSD while using fewer computational resources. Additionally, we demonstrate other advantages of an optimization-based approach to the problem, such as the ability to handle constraints.

We investigate causal computations taking sequences of inputs to sequences of outputs where the nth output depends on the first n inputs only. We model these in category theory via a construction taking a Cartesian category C to another category St(C) with a novel trace-like operation called "delayed trace", which misses yanking and dinaturality axioms of the usual trace. The delayed trace operation provides a feedback mechanism in St(C) with an implicit guardedness guarantee. When C is equipped with a Cartesian differential operator, we construct a differential operator for St(C) using an abstract version of backpropagation through time, a technique from machine learning based on unrolling of functions. This obtains a swath of properties for backpropagation through time, including a chain rule and Schwartz theorem. Our differential operator is also able to compute the derivative of a stateful network without requiring the network to be unrolled.

In image editing employing diffusion models, it is crucial to preserve the reconstruction quality of the original image while changing its style. Although existing methods ensure reconstruction quality through optimization, a drawback of these is the significant amount of time required for optimization. In this paper, we propose negative-prompt inversion, a method capable of achieving equivalent reconstruction solely through forward propagation without optimization, thereby enabling much faster editing processes. We experimentally demonstrate that the reconstruction quality of our method is comparable to that of existing methods, allowing for inversion at a resolution of 512 pixels and with 50 sampling steps within approximately 5 seconds, which is more than 30 times faster than null-text inversion. Reduction of the computation time by the proposed method further allows us to use a larger number of sampling steps in diffusion models to improve the reconstruction quality with a moderate increase in computation time.

Image denoisers have been shown to be powerful priors for solving inverse problems in imaging. In this work, we introduce a generalization of these methods that allows any image restoration network to be used as an implicit prior. The proposed method uses priors specified by deep neural networks pre-trained as general restoration operators. The method provides a principled approach for adapting state-of-the-art restoration models for other inverse problems. Our theoretical result analyzes its convergence to a stationary point of a global functional associated with the restoration operator. Numerical results show that the method using a super-resolution prior achieves state-of-the-art performance both quantitatively and qualitatively. Overall, this work offers a step forward for solving inverse problems by enabling the use of powerful pre-trained restoration models as priors.

We consider the block coordinate descent methods of Gauss-Seidel type with proximal regularization (BCD-PR), which is a classical method of minimizing general nonconvex objectives under constraints that has a wide range of practical applications. We theoretically establish the worst-case complexity bound for this algorithm. Namely, we show that for general nonconvex smooth objectives with block-wise constraints, the classical BCD-PR algorithm converges to an epsilon-stationary point within O(1/epsilon) iterations. Under a mild condition, this result still holds even if the algorithm is executed inexactly in each step. As an application, we propose a provable and efficient algorithm for `Wasserstein CP-dictionary learning', which seeks a set of elementary probability distributions that can well-approximate a given set of d-dimensional joint probability distributions. Our algorithm is a version of BCD-PR that operates in the dual space, where the primal problem is regularized both entropically and proximally.

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

Reverse derivative categories (RDCs) have recently been shown to be a suitable semantic framework for studying machine learning algorithms. Whereas emphasis has been put on training methodologies, less attention has been devoted to particular model classes: the concrete categories whose morphisms represent machine learning models. In this paper we study presentations by generators and equations of classes of RDCs. In particular, we propose polynomial circuits as a suitable machine learning model. We give an axiomatisation for these circuits and prove a functional completeness result. Finally, we discuss the use of polynomial circuits over specific semirings to perform machine learning with discrete values.

Recent advances to combine structured regression models and deep neural networks for better interpretability, more expressiveness, and statistically valid uncertainty quantification demonstrate the versatility of semi-structured neural networks (SSNs). We show that techniques to properly identify the contributions of the different model components in SSNs, however, lead to suboptimal network estimation, slower convergence, and degenerated or erroneous predictions. In order to solve these problems while preserving favorable model properties, we propose a non-invasive post-hoc orthogonalization (PHO) that guarantees identifiability of model components and provides better estimation and prediction quality. Our theoretical findings are supported by numerical experiments, a benchmark comparison as well as a real-world application to COVID-19 infections.

Unsupervised depth completion and estimation methods are trained by minimizing reconstruction error. Block artifacts from resampling, intensity saturation, and occlusions are amongst the many undesirable by-products of common data augmentation schemes that affect image reconstruction quality, and thus the training signal. Hence, typical augmentations on images viewed as essential to training pipelines in other vision tasks have seen limited use beyond small image intensity changes and flipping. The sparse depth modality in depth completion have seen even less use as intensity transformations alter the scale of the 3D scene, and geometric transformations may decimate the sparse points during resampling. We propose a method that unlocks a wide range of previously-infeasible geometric augmentations for unsupervised depth completion and estimation. This is achieved by reversing, or ``undo''-ing, geometric transformations to the coordinates of the output depth, warping the depth map back to the original reference frame. This enables computing the reconstruction losses using the original images and sparse depth maps, eliminating the pitfalls of naive loss computation on the augmented inputs and allowing us to scale up augmentations to boost performance. We demonstrate our method on indoor (VOID) and outdoor (KITTI) datasets, where we consistently improve upon recent methods across both datasets as well as generalization to four other datasets. Code available at: https://github.com/alexklwong/augundo.

Inverse design, where we seek to design input variables in order to optimize an underlying objective function, is an important problem that arises across fields such as mechanical engineering to aerospace engineering. Inverse design is typically formulated as an optimization problem, with recent works leveraging optimization across learned dynamics models. However, as models are optimized they tend to fall into adversarial modes, preventing effective sampling. We illustrate that by instead optimizing over the learned energy function captured by the diffusion model, we can avoid such adversarial examples and significantly improve design performance. We further illustrate how such a design system is compositional, enabling us to combine multiple different diffusion models representing subcomponents of our desired system to design systems with every specified component. In an N-body interaction task and a challenging 2D multi-airfoil design task, we demonstrate that by composing the learned diffusion model at test time, our method allows us to design initial states and boundary shapes that are more complex than those in the training data. Our method generalizes to more objects for N-body dataset and discovers formation flying to minimize drag in the multi-airfoil design task. Project website and code can be found at https://github.com/AI4Science-WestlakeU/cindm.

We consider the problem of reconstructing a full 360{\deg} photographic model of an object from a single image of it. We do so by fitting a neural radiance field to the image, but find this problem to be severely ill-posed. We thus take an off-the-self conditional image generator based on diffusion and engineer a prompt that encourages it to "dream up" novel views of the object. Using an approach inspired by DreamFields and DreamFusion, we fuse the given input view, the conditional prior, and other regularizers in a final, consistent reconstruction. We demonstrate state-of-the-art reconstruction results on benchmark images when compared to prior methods for monocular 3D reconstruction of objects. Qualitatively, our reconstructions provide a faithful match of the input view and a plausible extrapolation of its appearance and 3D shape, including to the side of the object not visible in the image.

In this study, we investigate the DIstribution Correction Estimation (DICE) methods, an important line of work in offline reinforcement learning (RL) and imitation learning (IL). DICE-based methods impose state-action-level behavior constraint, which is an ideal choice for offline learning. However, they typically perform much worse than current state-of-the-art (SOTA) methods that solely use action-level behavior constraint. After revisiting DICE-based methods, we find there exist two gradient terms when learning the value function using true-gradient update: forward gradient (taken on the current state) and backward gradient (taken on the next state). Using forward gradient bears a large similarity to many offline RL methods, and thus can be regarded as applying action-level constraint. However, directly adding the backward gradient may degenerate or cancel out its effect if these two gradients have conflicting directions. To resolve this issue, we propose a simple yet effective modification that projects the backward gradient onto the normal plane of the forward gradient, resulting in an orthogonal-gradient update, a new learning rule for DICE-based methods. We conduct thorough theoretical analyses and find that the projected backward gradient brings state-level behavior regularization, which reveals the mystery of DICE-based methods: the value learning objective does try to impose state-action-level constraint, but needs to be used in a corrected way. Through toy examples and extensive experiments on complex offline RL and IL tasks, we demonstrate that DICE-based methods using orthogonal-gradient updates (O-DICE) achieve SOTA performance and great robustness.

Straight-through estimator (STE), which enables the gradient flow over the non-differentiable function via approximation, has been favored in studies related to quantization-aware training (QAT). However, STE incurs unstable convergence during QAT, resulting in notable quality degradation in low precision. Recently, pseudoquantization training has been proposed as an alternative approach to updating the learnable parameters using the pseudo-quantization noise instead of STE. In this study, we propose a novel noise proxy-based integrated pseudoquantization (NIPQ) that enables unified support of pseudoquantization for both activation and weight by integrating the idea of truncation on the pseudo-quantization framework. NIPQ updates all of the quantization parameters (e.g., bit-width and truncation boundary) as well as the network parameters via gradient descent without STE instability. According to our extensive experiments, NIPQ outperforms existing quantization algorithms in various vision and language applications by a large margin.

Sampling from the posterior distribution poses a major computational challenge in solving inverse problems using latent diffusion models. Common methods rely on Tweedie's first-order moments, which are known to induce a quality-limiting bias. Existing second-order approximations are impractical due to prohibitive computational costs, making standard reverse diffusion processes intractable for posterior sampling. This paper introduces Second-order Tweedie sampler from Surrogate Loss (STSL), a novel sampler that offers efficiency comparable to first-order Tweedie with a tractable reverse process using second-order approximation. Our theoretical results reveal that the second-order approximation is lower bounded by our surrogate loss that only requires O(1) compute using the trace of the Hessian, and by the lower bound we derive a new drift term to make the reverse process tractable. Our method surpasses SoTA solvers PSLD and P2L, achieving 4X and 8X reduction in neural function evaluations, respectively, while notably enhancing sampling quality on FFHQ, ImageNet, and COCO benchmarks. In addition, we show STSL extends to text-guided image editing and addresses residual distortions present from corrupted images in leading text-guided image editing methods. To our best knowledge, this is the first work to offer an efficient second-order approximation in solving inverse problems using latent diffusion and editing real-world images with corruptions.

Practical identifiability is a critical concern in data-driven modeling of mathematical systems. In this paper, we propose a novel framework for practical identifiability analysis to evaluate parameter identifiability in mathematical models of biological systems. Starting with a rigorous mathematical definition of practical identifiability, we demonstrate its equivalence to the invertibility of the Fisher Information Matrix. Our framework establishes the relationship between practical identifiability and coordinate identifiability, introducing a novel metric that simplifies and accelerates the evaluation of parameter identifiability compared to the profile likelihood method. Additionally, we introduce new regularization terms to address non-identifiable parameters, enabling uncertainty quantification and improving model reliability. To guide experimental design, we present an optimal data collection algorithm that ensures all model parameters are practically identifiable. Applications to Hill functions, neural networks, and dynamic biological models demonstrate the feasibility and efficiency of the proposed computational framework in uncovering critical biological processes and identifying key observable variables.

Efficiently approximating local curvature information of the loss function is a key tool for optimization and compression of deep neural networks. Yet, most existing methods to approximate second-order information have high computational or storage costs, which can limit their practicality. In this work, we investigate matrix-free, linear-time approaches for estimating Inverse-Hessian Vector Products (IHVPs) for the case when the Hessian can be approximated as a sum of rank-one matrices, as in the classic approximation of the Hessian by the empirical Fisher matrix. We propose two new algorithms as part of a framework called M-FAC: the first algorithm is tailored towards network compression and can compute the IHVP for dimension d, if the Hessian is given as a sum of m rank-one matrices, using O(dm^2) precomputation, O(dm) cost for computing the IHVP, and query cost O(m) for any single element of the inverse Hessian. The second algorithm targets an optimization setting, where we wish to compute the product between the inverse Hessian, estimated over a sliding window of optimization steps, and a given gradient direction, as required for preconditioned SGD. We give an algorithm with cost O(dm + m^2) for computing the IHVP and O(dm + m^3) for adding or removing any gradient from the sliding window. These two algorithms yield state-of-the-art results for network pruning and optimization with lower computational overhead relative to existing second-order methods. Implementations are available at [9] and [17].

Strategies for the generation of periodic discrete structures with identical two-point correlation are developed. Starting from a pair of root structures, which are not related by translation, phase inversion or axis reflections, child structures of arbitrary resolution (i.e., pixel or voxel numbers) and number of phases (i.e., material phases/species) can be generated by means of trivial embedding based phase extension, application of kernels and/or phase coalescence, such that the generated structures inherit the two-point-correlation equivalence. Proofs of the inheritance property are provided by means of the Discrete Fourier Transform theory. A Python 3 implementation of the results is offered by the authors through the Github repository https://github.com/DataAnalyticsEngineering/EQ2PC in order to make the provided results reproducible and useful for all interested readers. Examples for the generation of structures are demonstrated, together with applications in the homogenization theory of periodic media.