Daily Papers

In this paper, we propose a new measure to gauge the complexity of image classification problems. Given an annotated image dataset, our method computes a complexity measure called the cumulative spectral gradient (CSG) which strongly correlates with the test accuracy of convolutional neural networks (CNN). The CSG measure is derived from the probabilistic divergence between classes in a spectral clustering framework. We show that this metric correlates with the overall separability of the dataset and thus its inherent complexity. As will be shown, our metric can be used for dataset reduction, to assess which classes are more difficult to disentangle, and approximate the accuracy one could expect to get with a CNN. Results obtained on 11 datasets and three CNN models reveal that our method is more accurate and faster than previous complexity measures.

Gradient regularization (GR) is a method that penalizes the gradient norm of the training loss during training. While some studies have reported that GR can improve generalization performance, little attention has been paid to it from the algorithmic perspective, that is, the algorithms of GR that efficiently improve the performance. In this study, we first reveal that a specific finite-difference computation, composed of both gradient ascent and descent steps, reduces the computational cost of GR. Next, we show that the finite-difference computation also works better in the sense of generalization performance. We theoretically analyze a solvable model, a diagonal linear network, and clarify that GR has a desirable implicit bias to so-called rich regime and finite-difference computation strengthens this bias. Furthermore, finite-difference GR is closely related to some other algorithms based on iterative ascent and descent steps for exploring flat minima. In particular, we reveal that the flooding method can perform finite-difference GR in an implicit way. Thus, this work broadens our understanding of GR for both practice and theory.

Although diffusion models (DMs) have shown promising performances in a number of tasks (e.g., speech synthesis and image generation), they might suffer from error propagation because of their sequential structure. However, this is not certain because some sequential models, such as Conditional Random Field (CRF), are free from this problem. To address this issue, we develop a theoretical framework to mathematically formulate error propagation in the architecture of DMs, The framework contains three elements, including modular error, cumulative error, and propagation equation. The modular and cumulative errors are related by the equation, which interprets that DMs are indeed affected by error propagation. Our theoretical study also suggests that the cumulative error is closely related to the generation quality of DMs. Based on this finding, we apply the cumulative error as a regularization term to reduce error propagation. Because the term is computationally intractable, we derive its upper bound and design a bootstrap algorithm to efficiently estimate the bound for optimization. We have conducted extensive experiments on multiple image datasets, showing that our proposed regularization reduces error propagation, significantly improves vanilla DMs, and outperforms previous baselines.

Stochastic Gradient Decent (SGD) is one of the core techniques behind the success of deep neural networks. The gradient provides information on the direction in which a function has the steepest rate of change. The main problem with basic SGD is to change by equal sized steps for all parameters, irrespective of gradient behavior. Hence, an efficient way of deep network optimization is to make adaptive step sizes for each parameter. Recently, several attempts have been made to improve gradient descent methods such as AdaGrad, AdaDelta, RMSProp and Adam. These methods rely on the square roots of exponential moving averages of squared past gradients. Thus, these methods do not take advantage of local change in gradients. In this paper, a novel optimizer is proposed based on the difference between the present and the immediate past gradient (i.e., diffGrad). In the proposed diffGrad optimization technique, the step size is adjusted for each parameter in such a way that it should have a larger step size for faster gradient changing parameters and a lower step size for lower gradient changing parameters. The convergence analysis is done using the regret bound approach of online learning framework. Rigorous analysis is made in this paper over three synthetic complex non-convex functions. The image categorization experiments are also conducted over the CIFAR10 and CIFAR100 datasets to observe the performance of diffGrad with respect to the state-of-the-art optimizers such as SGDM, AdaGrad, AdaDelta, RMSProp, AMSGrad, and Adam. The residual unit (ResNet) based Convolutional Neural Networks (CNN) architecture is used in the experiments. The experiments show that diffGrad outperforms other optimizers. Also, we show that diffGrad performs uniformly well for training CNN using different activation functions. The source code is made publicly available at https://github.com/shivram1987/diffGrad.

We rigorously study the joint evolution of training dynamics via stochastic gradient descent (SGD) and the spectra of empirical Hessian and gradient matrices. We prove that in two canonical classification tasks for multi-class high-dimensional mixtures and either 1 or 2-layer neural networks, the SGD trajectory rapidly aligns with emerging low-rank outlier eigenspaces of the Hessian and gradient matrices. Moreover, in multi-layer settings this alignment occurs per layer, with the final layer's outlier eigenspace evolving over the course of training, and exhibiting rank deficiency when the SGD converges to sub-optimal classifiers. This establishes some of the rich predictions that have arisen from extensive numerical studies in the last decade about the spectra of Hessian and information matrices over the course of training in overparametrized networks.

A range of recent optimizers have emerged that approximate the same "matrix-whitening" transformation in various ways. In this work, we systematically deconstruct such optimizers, aiming to disentangle the key components that explain performance. Across tuned hyperparameters across the board, all flavors of matrix-whitening methods reliably outperform elementwise counterparts, such as Adam. Matrix-whitening is often related to spectral descent -- however, experiments reveal that performance gains are *not explained solely by accurate spectral normalization* -- particularly, SOAP displays the largest per-step gain, even though Muon more accurately descends along the steepest spectral descent direction. Instead, we argue that matrix-whitening serves two purposes, and the variance adaptation component of matrix-whitening is the overlooked ingredient explaining this performance gap. Experiments show that variance-adapted versions of optimizers consistently outperform their sign-descent counterparts, including an adaptive version of Muon. We further ablate variance adaptation strategies, finding that while lookahead style approximations are not as effective, low-rank variance estimators can effectively reduce memory costs without a performance loss.

Optimization with matrix gradient orthogonalization has recently demonstrated impressive results in the training of deep neural networks (Jordan et al., 2024; Liu et al., 2025). In this paper, we provide a theoretical analysis of this approach. In particular, we show that the orthogonalized gradient method can be seen as a first-order trust-region optimization method, where the trust-region is defined in terms of the matrix spectral norm. Motivated by this observation, we develop the stochastic non-Euclidean trust-region gradient method with momentum, which recovers the Muon optimizer (Jordan et al., 2024) as a special case, along with normalized SGD and signSGD with momentum (Cutkosky and Mehta, 2020; Sun et al., 2023). In addition, we prove state-of-the-art convergence results for the proposed algorithm in a range of scenarios, which involve arbitrary non-Euclidean norms, constrained and composite problems, and non-convex, star-convex, first- and second-order smooth functions. Finally, our theoretical findings provide an explanation for several practical observations, including the practical superiority of Muon compared to the Orthogonal-SGDM algorithm of Tuddenham et al. (2022) and the importance of weight decay in the training of large-scale language models.

We study the properties of common loss surfaces through their Hessian matrix. In particular, in the context of deep learning, we empirically show that the spectrum of the Hessian is composed of two parts: (1) the bulk centered near zero, (2) and outliers away from the bulk. We present numerical evidence and mathematical justifications to the following conjectures laid out by Sagun et al. (2016): Fixing data, increasing the number of parameters merely scales the bulk of the spectrum; fixing the dimension and changing the data (for instance adding more clusters or making the data less separable) only affects the outliers. We believe that our observations have striking implications for non-convex optimization in high dimensions. First, the flatness of such landscapes (which can be measured by the singularity of the Hessian) implies that classical notions of basins of attraction may be quite misleading. And that the discussion of wide/narrow basins may be in need of a new perspective around over-parametrization and redundancy that are able to create large connected components at the bottom of the landscape. Second, the dependence of small number of large eigenvalues to the data distribution can be linked to the spectrum of the covariance matrix of gradients of model outputs. With this in mind, we may reevaluate the connections within the data-architecture-algorithm framework of a model, hoping that it would shed light into the geometry of high-dimensional and non-convex spaces in modern applications. In particular, we present a case that links the two observations: small and large batch gradient descent appear to converge to different basins of attraction but we show that they are in fact connected through their flat region and so belong to the same basin.

We consider stochastic sequential learning problems where the learner can observe the average reward of several actions. Such a setting is interesting in many applications involving monitoring and surveillance, where the set of the actions to observe represent some (geographical) area. The importance of this setting is that in these applications, it is actually cheaper to observe average reward of a group of actions rather than the reward of a single action. We show that when the reward is smooth over a given graph representing the neighboring actions, we can maximize the cumulative reward of learning while minimizing the sensing cost. In this paper we propose CheapUCB, an algorithm that matches the regret guarantees of the known algorithms for this setting and at the same time guarantees a linear cost again over them. As a by-product of our analysis, we establish a Ω(dT) lower bound on the cumulative regret of spectral bandits for a class of graphs with effective dimension d.

We show how to transform a non-differentiable rasterizer into a differentiable one with minimal engineering efforts and no external dependencies (no Pytorch/Tensorflow). We rely on Stochastic Gradient Estimation, a technique that consists of rasterizing after randomly perturbing the scene's parameters such that their gradient can be stochastically estimated and descended. This method is simple and robust but does not scale in dimensionality (number of scene parameters). Our insight is that the number of parameters contributing to a given rasterized pixel is bounded. Estimating and averaging gradients on a per-pixel basis hence bounds the dimensionality of the underlying optimization problem and makes the method scalable. Furthermore, it is simple to track per-pixel contributing parameters by rasterizing ID- and UV-buffers, which are trivial additions to a rasterization engine if not already available. With these minor modifications, we obtain an in-engine optimizer for 3D assets with millions of geometry and texture parameters.

Classical machine learning models such as deep neural networks are usually trained by using Stochastic Gradient Descent-based (SGD) algorithms. The classical SGD can be interpreted as a discretization of the stochastic gradient flow. In this paper we propose a novel, robust and accelerated stochastic optimizer that relies on two key elements: (1) an accelerated Nesterov-like Stochastic Differential Equation (SDE) and (2) its semi-implicit Gauss-Seidel type discretization. The convergence and stability of the obtained method, referred to as NAG-GS, are first studied extensively in the case of the minimization of a quadratic function. This analysis allows us to come up with an optimal learning rate in terms of the convergence rate while ensuring the stability of NAG-GS. This is achieved by the careful analysis of the spectral radius of the iteration matrix and the covariance matrix at stationarity with respect to all hyperparameters of our method. Further, we show that NAG- GS is competitive with state-of-the-art methods such as momentum SGD with weight decay and AdamW for the training of machine learning models such as the logistic regression model, the residual networks models on standard computer vision datasets, Transformers in the frame of the GLUE benchmark and the recent Vision Transformers.

There are several applications of stochastic optimization where one can benefit from a robust estimate of the gradient. For example, domains such as distributed learning with corrupted nodes, the presence of large outliers in the training data, learning under privacy constraints, or even heavy-tailed noise due to the dynamics of the algorithm itself. Here we study SGD with robust gradient estimators based on estimating the median. We first consider computing the median gradient across samples, and show that the resulting method can converge even under heavy-tailed, state-dependent noise. We then derive iterative methods based on the stochastic proximal point method for computing the geometric median and generalizations thereof. Finally we propose an algorithm estimating the median gradient across iterations, and find that several well known methods - in particular different forms of clipping - are particular cases of this framework.

Recent studies of gradient descent with large step sizes have shown that there is often a regime with an initial increase in the largest eigenvalue of the loss Hessian (progressive sharpening), followed by a stabilization of the eigenvalue near the maximum value which allows convergence (edge of stability). These phenomena are intrinsically non-linear and do not happen for models in the constant Neural Tangent Kernel (NTK) regime, for which the predictive function is approximately linear in the parameters. As such, we consider the next simplest class of predictive models, namely those that are quadratic in the parameters, which we call second-order regression models. For quadratic objectives in two dimensions, we prove that this second-order regression model exhibits progressive sharpening of the NTK eigenvalue towards a value that differs slightly from the edge of stability, which we explicitly compute. In higher dimensions, the model generically shows similar behavior, even without the specific structure of a neural network, suggesting that progressive sharpening and edge-of-stability behavior aren't unique features of neural networks, and could be a more general property of discrete learning algorithms in high-dimensional non-linear models.

It is believed that Gradient Descent (GD) induces an implicit bias towards good generalization in training machine learning models. This paper provides a fine-grained analysis of the dynamics of GD for the matrix sensing problem, whose goal is to recover a low-rank ground-truth matrix from near-isotropic linear measurements. It is shown that GD with small initialization behaves similarly to the greedy low-rank learning heuristics (Li et al., 2020) and follows an incremental learning procedure (Gissin et al., 2019): GD sequentially learns solutions with increasing ranks until it recovers the ground truth matrix. Compared to existing works which only analyze the first learning phase for rank-1 solutions, our result provides characterizations for the whole learning process. Moreover, besides the over-parameterized regime that many prior works focused on, our analysis of the incremental learning procedure also applies to the under-parameterized regime. Finally, we conduct numerical experiments to confirm our theoretical findings.

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

We consider a class of structured fractional minimization problems, in which the numerator part of the objective is the sum of a differentiable convex function and a convex non-smooth function, while the denominator part is a convex or concave function. This problem is difficult to solve since it is non-convex. By exploiting the structure of the problem, we propose two Coordinate Descent (CD) methods for solving this problem. The proposed methods iteratively solve a one-dimensional subproblem globally, and they are guaranteed to converge to coordinate-wise stationary points. In the case of a convex denominator, under a weak locally bounded non-convexity condition, we prove that the optimality of coordinate-wise stationary point is stronger than that of the standard critical point and directional point. Under additional suitable conditions, CD methods converge Q-linearly to coordinate-wise stationary points. In the case of a concave denominator, we show that any critical point is a global minimum, and CD methods converge to the global minimum with a sublinear convergence rate. We demonstrate the applicability of the proposed methods to some machine learning and signal processing models. Our experiments on real-world data have shown that our method significantly and consistently outperforms existing methods in terms of accuracy.

As the post-training of large language models (LLMs) advances from instruction-following to complex reasoning tasks, understanding how different data affect finetuning dynamics remains largely unexplored. In this paper, we present a spectral analysis of layer-wise gradients induced by low/high-quality instruction and reasoning data for LLM post-training. Our analysis reveals that widely-studied metrics for data evaluation, e.g., IFD, InsTag, Difficulty, and Reward, can be explained and unified by spectral properties computed from gradients' singular value decomposition (SVD). Specifically, higher-quality data are usually associated with lower nuclear norms and higher effective ranks. Notably, effective rank exhibits better robustness and resolution than nuclear norm in capturing subtle quality differences. For example, reasoning data achieves substantially higher effective ranks than instruction data, implying richer gradient structures on more complex tasks. Our experiments also highlight that models within the same family share similar gradient patterns regardless of their sizes, whereas different model families diverge significantly. Providing a unified view on the effects of data quality across instruction and reasoning data, this work illuminates the interplay between data quality and training stability, shedding novel insights into developing better data exploration strategies for post-training.

We show that in a variety of large-scale deep learning scenarios the gradient dynamically converges to a very small subspace after a short period of training. The subspace is spanned by a few top eigenvectors of the Hessian (equal to the number of classes in the dataset), and is mostly preserved over long periods of training. A simple argument then suggests that gradient descent may happen mostly in this subspace. We give an example of this effect in a solvable model of classification, and we comment on possible implications for optimization and learning.

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

Motivated by a wide variety of applications, ranging from stochastic optimization to dimension reduction through variable selection, the problem of estimating gradients accurately is of crucial importance in statistics and learning theory. We consider here the classic regression setup, where a real valued square integrable r.v. Y is to be predicted upon observing a (possibly high dimensional) random vector X by means of a predictive function f(X) as accurately as possible in the mean-squared sense and study a nearest-neighbour-based pointwise estimate of the gradient of the optimal predictive function, the regression function m(x)=E[Ymid X=x]. Under classic smoothness conditions combined with the assumption that the tails of Y-m(X) are sub-Gaussian, we prove nonasymptotic bounds improving upon those obtained for alternative estimation methods. Beyond the novel theoretical results established, several illustrative numerical experiments have been carried out. The latter provide strong empirical evidence that the estimation method proposed works very well for various statistical problems involving gradient estimation, namely dimensionality reduction, stochastic gradient descent optimization and quantifying disentanglement.

This paper introduces WaveGrad, a conditional model for waveform generation which estimates gradients of the data density. The model is built on prior work on score matching and diffusion probabilistic models. It starts from a Gaussian white noise signal and iteratively refines the signal via a gradient-based sampler conditioned on the mel-spectrogram. WaveGrad offers a natural way to trade inference speed for sample quality by adjusting the number of refinement steps, and bridges the gap between non-autoregressive and autoregressive models in terms of audio quality. We find that it can generate high fidelity audio samples using as few as six iterations. Experiments reveal WaveGrad to generate high fidelity audio, outperforming adversarial non-autoregressive baselines and matching a strong likelihood-based autoregressive baseline using fewer sequential operations. Audio samples are available at https://wavegrad.github.io/.

Using backpropagation to compute gradients of objective functions for optimization has remained a mainstay of machine learning. Backpropagation, or reverse-mode differentiation, is a special case within the general family of automatic differentiation algorithms that also includes the forward mode. We present a method to compute gradients based solely on the directional derivative that one can compute exactly and efficiently via the forward mode. We call this formulation the forward gradient, an unbiased estimate of the gradient that can be evaluated in a single forward run of the function, entirely eliminating the need for backpropagation in gradient descent. We demonstrate forward gradient descent in a range of problems, showing substantial savings in computation and enabling training up to twice as fast in some cases.

The asymptotically precise estimation of the generalization of kernel methods has recently received attention due to the parallels between neural networks and their associated kernels. However, prior works derive such estimates for training by kernel ridge regression (KRR), whereas neural networks are typically trained with gradient descent (GD). In the present work, we consider the training of kernels with a family of spectral algorithms specified by profile h(lambda), and including KRR and GD as special cases. Then, we derive the generalization error as a functional of learning profile h(lambda) for two data models: high-dimensional Gaussian and low-dimensional translation-invariant model. Under power-law assumptions on the spectrum of the kernel and target, we use our framework to (i) give full loss asymptotics for both noisy and noiseless observations (ii) show that the loss localizes on certain spectral scales, giving a new perspective on the KRR saturation phenomenon (iii) conjecture, and demonstrate for the considered data models, the universality of the loss w.r.t. non-spectral details of the problem, but only in case of noisy observation.

Forward Gradients - the idea of using directional derivatives in forward differentiation mode - have recently been shown to be utilizable for neural network training while avoiding problems generally associated with backpropagation gradient computation, such as locking and memorization requirements. The cost is the requirement to guess the step direction, which is hard in high dimensions. While current solutions rely on weighted averages over isotropic guess vector distributions, we propose to strongly bias our gradient guesses in directions that are much more promising, such as feedback obtained from small, local auxiliary networks. For a standard computer vision neural network, we conduct a rigorous study systematically covering a variety of combinations of gradient targets and gradient guesses, including those previously presented in the literature. We find that using gradients obtained from a local loss as a candidate direction drastically improves on random noise in Forward Gradient methods.

Continual learning aims to learn multiple tasks sequentially while preserving prior knowledge, but faces the challenge of catastrophic forgetting when adapting to new tasks. Recently, approaches leveraging pre-trained models have gained increasing popularity in mitigating this issue, due to the strong generalization ability of foundation models. To adjust pre-trained models for new tasks, existing methods usually employ low-rank adaptation, which restricts parameter updates to a fixed low-rank subspace. However, constraining the optimization space inherently compromises the model's learning capacity, resulting in inferior performance. To address this limitation, we propose Continuous Subspace Optimization for Continual Learning (CoSO) to fine-tune the model in a series of subspaces rather than a single one. These sequential subspaces are dynamically determined through the singular value decomposition of the gradients. CoSO updates the model by projecting gradients onto these subspaces, ensuring memory-efficient optimization. To mitigate forgetting, the optimization subspace of each task is constrained to be orthogonal to the historical task subspace. During task learning, CoSO maintains a task-specific component that captures the critical update directions for the current task. Upon completing a task, this component is used to update the historical task subspace, laying the groundwork for subsequent learning. Extensive experiments on multiple datasets demonstrate that CoSO significantly outperforms state-of-the-art methods, especially in challenging scenarios with long task sequences.

Stochastic gradient descent method and its variants constitute the core optimization algorithms that achieve good convergence rates for solving machine learning problems. These rates are obtained especially when these algorithms are fine-tuned for the application at hand. Although this tuning process can require large computational costs, recent work has shown that these costs can be reduced by line search methods that iteratively adjust the stepsize. We propose an alternative approach to stochastic line search by using a new algorithm based on forward step model building. This model building step incorporates second-order information that allows adjusting not only the stepsize but also the search direction. Noting that deep learning model parameters come in groups (layers of tensors), our method builds its model and calculates a new step for each parameter group. This novel diagonalization approach makes the selected step lengths adaptive. We provide convergence rate analysis, and experimentally show that the proposed algorithm achieves faster convergence and better generalization in well-known test problems. More precisely, SMB requires less tuning, and shows comparable performance to other adaptive methods.

Hyperspectral unmixing is one of the crucial steps for many hyperspectral applications. The problem of hyperspectral unmixing has proven to be a difficult task in unsupervised work settings where the endmembers and abundances are both unknown. What is more, this task becomes more challenging in the case that the spectral bands are degraded with noise. This paper presents a robust model for unsupervised hyperspectral unmixing. Specifically, our model is developed with the correntropy based metric where the non-negative constraints on both endmembers and abundances are imposed to keep physical significance. In addition, a sparsity prior is explicitly formulated to constrain the distribution of the abundances of each endmember. To solve our model, a half-quadratic optimization technique is developed to convert the original complex optimization problem into an iteratively re-weighted NMF with sparsity constraints. As a result, the optimization of our model can adaptively assign small weights to noisy bands and give more emphasis on noise-free bands. In addition, with sparsity constraints, our model can naturally generate sparse abundances. Experiments on synthetic and real data demonstrate the effectiveness of our model in comparison to the related state-of-the-art unmixing models.

Spectral bias is an important observation of neural network training, stating that the network will learn a low frequency representation of the target function before converging to higher frequency components. This property is interesting due to its link to good generalization in over-parameterized networks. However, in low dimensional settings, a severe spectral bias occurs that obstructs convergence to high frequency components entirely. In order to overcome this limitation, one can encode the inputs using a high frequency sinusoidal encoding. Previous works attempted to explain this phenomenon using Neural Tangent Kernel (NTK) and Fourier analysis. However, NTK does not capture real network dynamics, and Fourier analysis only offers a global perspective on the network properties that induce this bias. In this paper, we provide a novel approach towards understanding spectral bias by directly studying ReLU MLP training dynamics. Specifically, we focus on the connection between the computations of ReLU networks (activation regions), and the speed of gradient descent convergence. We study these dynamics in relation to the spatial information of the signal to understand how they influence spectral bias. We then use this formulation to study the severity of spectral bias in low dimensional settings, and how positional encoding overcomes this.

While previous distribution shift detection approaches can identify if a shift has occurred, these approaches cannot localize which specific features have caused a distribution shift -- a critical step in diagnosing or fixing any underlying issue. For example, in military sensor networks, users will want to detect when one or more of the sensors has been compromised, and critically, they will want to know which specific sensors might be compromised. Thus, we first define a formalization of this problem as multiple conditional distribution hypothesis tests and propose both non-parametric and parametric statistical tests. For both efficiency and flexibility, we then propose to use a test statistic based on the density model score function (i.e. gradient with respect to the input) -- which can easily compute test statistics for all dimensions in a single forward and backward pass. Any density model could be used for computing the necessary statistics including deep density models such as normalizing flows or autoregressive models. We additionally develop methods for identifying when and where a shift occurs in multivariate time-series data and show results for multiple scenarios using realistic attack models on both simulated and real world data.

Restart techniques are common in gradient-free optimization to deal with multimodal functions. Partial warm restarts are also gaining popularity in gradient-based optimization to improve the rate of convergence in accelerated gradient schemes to deal with ill-conditioned functions. In this paper, we propose a simple warm restart technique for stochastic gradient descent to improve its anytime performance when training deep neural networks. We empirically study its performance on the CIFAR-10 and CIFAR-100 datasets, where we demonstrate new state-of-the-art results at 3.14% and 16.21%, respectively. We also demonstrate its advantages on a dataset of EEG recordings and on a downsampled version of the ImageNet dataset. Our source code is available at https://github.com/loshchil/SGDR

Classifier-free guidance (CFG) is a core technique powering state-of-the-art image generation systems, yet its underlying mechanisms remain poorly understood. In this work, we begin by analyzing CFG in a simplified linear diffusion model, where we show its behavior closely resembles that observed in the nonlinear case. Our analysis reveals that linear CFG improves generation quality via three distinct components: (i) a mean-shift term that approximately steers samples in the direction of class means, (ii) a positive Contrastive Principal Components (CPC) term that amplifies class-specific features, and (iii) a negative CPC term that suppresses generic features prevalent in unconditional data. We then verify that these insights in real-world, nonlinear diffusion models: over a broad range of noise levels, linear CFG resembles the behavior of its nonlinear counterpart. Although the two eventually diverge at low noise levels, we discuss how the insights from the linear analysis still shed light on the CFG's mechanism in the nonlinear regime.

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

Several recent studies advocate the use of spectral discriminators, which evaluate the Fourier spectra of images for generative modeling. However, the effectiveness of the spectral discriminators is not well interpreted yet. We tackle this issue by examining the spectral discriminators in the context of perceptual image super-resolution (i.e., GAN-based SR), as SR image quality is susceptible to spectral changes. Our analyses reveal that the spectral discriminator indeed performs better than the ordinary (a.k.a. spatial) discriminator in identifying the differences in the high-frequency range; however, the spatial discriminator holds an advantage in the low-frequency range. Thus, we suggest that the spectral and spatial discriminators shall be used simultaneously. Moreover, we improve the spectral discriminators by first calculating the patch-wise Fourier spectrum and then aggregating the spectra by Transformer. We verify the effectiveness of the proposed method twofold. On the one hand, thanks to the additional spectral discriminator, our obtained SR images have their spectra better aligned to those of the real images, which leads to a better PD tradeoff. On the other hand, our ensembled discriminator predicts the perceptual quality more accurately, as evidenced in the no-reference image quality assessment task.

Stochastic Gradient Descent (SGD) stands as a cornerstone optimization algorithm with proven real-world empirical successes but relatively limited theoretical understanding. Recent research has illuminated a key factor contributing to its practical efficacy: the implicit regularization it instigates. Several studies have investigated the linear stability property of SGD in the vicinity of a stationary point as a predictive proxy for sharpness and generalization error in overparameterized neural networks (Wu et al., 2022; Jastrzebski et al., 2019; Cohen et al., 2021). In this paper, we delve deeper into the relationship between linear stability and sharpness. More specifically, we meticulously delineate the necessary and sufficient conditions for linear stability, contingent on hyperparameters of SGD and the sharpness at the optimum. Towards this end, we introduce a novel coherence measure of the loss Hessian that encapsulates pertinent geometric properties of the loss function that are relevant to the linear stability of SGD. It enables us to provide a simplified sufficient condition for identifying linear instability at an optimum. Notably, compared to previous works, our analysis relies on significantly milder assumptions and is applicable for a broader class of loss functions than known before, encompassing not only mean-squared error but also cross-entropy loss.

The recently proposed Muon optimizer updates weight matrices via orthogonalized momentum and has demonstrated strong empirical success in large language model training. However, it remains unclear how to determine the learning rates for such orthogonalized updates. AdaGrad, by contrast, is a widely used adaptive method that scales stochastic gradients by accumulated past gradients. We propose a new algorithm, AdaGO, which combines a norm-based AdaGrad-type stepsize with an orthogonalized update direction, bringing together the benefits of both approaches. Unlike other adaptive variants of Muon, AdaGO preserves the orthogonality of the update direction, which can be interpreted as a spectral descent direction, while adapting the stepsizes to the optimization landscape by scaling the direction with accumulated past gradient norms. The implementation of AdaGO requires only minimal modification to Muon, with a single additional scalar variable, the accumulated squared gradient norms, to be computed, making it computationally and memory efficient. Optimal theoretical convergence rates are established for nonconvex functions in both stochastic and deterministic settings under standard smoothness and unbiased bounded-variance noise assumptions. Empirical results on CIFAR-10 classification and function regression demonstrate that AdaGO outperforms Muon and Adam.

We propose ScaledGD(\lambda), a preconditioned gradient descent method to tackle the low-rank matrix sensing problem when the true rank is unknown, and when the matrix is possibly ill-conditioned. Using overparametrized factor representations, ScaledGD(\lambda) starts from a small random initialization, and proceeds by gradient descent with a specific form of damped preconditioning to combat bad curvatures induced by overparameterization and ill-conditioning. At the expense of light computational overhead incurred by preconditioners, ScaledGD(\lambda) is remarkably robust to ill-conditioning compared to vanilla gradient descent (GD) even with overprameterization. Specifically, we show that, under the Gaussian design, ScaledGD(\lambda) converges to the true low-rank matrix at a constant linear rate after a small number of iterations that scales only logarithmically with respect to the condition number and the problem dimension. This significantly improves over the convergence rate of vanilla GD which suffers from a polynomial dependency on the condition number. Our work provides evidence on the power of preconditioning in accelerating the convergence without hurting generalization in overparameterized learning.

A diffusion model learns to predict a vector field of gradients. We propose to apply chain rule on the learned gradients, and back-propagate the score of a diffusion model through the Jacobian of a differentiable renderer, which we instantiate to be a voxel radiance field. This setup aggregates 2D scores at multiple camera viewpoints into a 3D score, and repurposes a pretrained 2D model for 3D data generation. We identify a technical challenge of distribution mismatch that arises in this application, and propose a novel estimation mechanism to resolve it. We run our algorithm on several off-the-shelf diffusion image generative models, including the recently released Stable Diffusion trained on the large-scale LAION dataset.

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

We introduce a general formulation for automatic differentiation through direct form filters, yielding a closed-form backpropagation that includes initial condition gradients. The result is a single expression that can represent both the filter and its gradients computation while supporting parallelism. C++/CUDA implementations in PyTorch achieve at least 1000x speedup over naive Python implementations and consistently run fastest on the GPU. For the low-order filters commonly used in practice, exact time-domain filtering with analytical gradients outperforms the frequency-domain method in terms of speed. The source code is available at https://github.com/yoyolicoris/philtorch.

The recent surge in contrast-based graph self-supervised learning has prominently featured an intensified exploration of spectral cues. Spectral augmentation, which involves modifying a graph's spectral properties such as eigenvalues or eigenvectors, is widely believed to enhance model performance. However, an intriguing paradox emerges, as methods grounded in seemingly conflicting assumptions regarding the spectral domain demonstrate notable enhancements in learning performance. Through extensive empirical studies, we find that simple edge perturbations - random edge dropping for node-level and random edge adding for graph-level self-supervised learning - consistently yield comparable or superior performance while being significantly more computationally efficient. This suggests that the computational overhead of sophisticated spectral augmentations may not justify their practical benefits. Our theoretical analysis of the InfoNCE loss bounds for shallow GNNs further supports this observation. The proposed insights represent a significant leap forward in the field, potentially refining the understanding and implementation of graph self-supervised learning.

We propose a new variant of AMSGrad, a popular adaptive gradient based optimization algorithm widely used for training deep neural networks. Our algorithm adds prior knowledge about the sequence of consecutive mini-batch gradients and leverages its underlying structure making the gradients sequentially predictable. By exploiting the predictability and ideas from optimistic online learning, the proposed algorithm can accelerate the convergence and increase sample efficiency. After establishing a tighter upper bound under some convexity conditions on the regret, we offer a complimentary view of our algorithm which generalizes the offline and stochastic version of nonconvex optimization. In the nonconvex case, we establish a non-asymptotic convergence bound independently of the initialization. We illustrate the practical speedup on several deep learning models via numerical experiments.

Early stopping monitors global validation loss and halts all parameter updates simultaneously, which is computationally costly for large transformers due to the extended time required for validation inference. We propose GradES, a novel gradient-based early stopping approach that operates within transformer components (attention projections and Feed-Forward layer matrices). We found that different components converge at varying rates during fine-tuning. GradES tracks the magnitude of gradients in backpropagation for these matrices during training. When a projection matrix's gradients fall below a convergence threshold tau, we exclude that projection matrix from further updates individually, eliminating costly validation passes while allowing slow converging matrices to continue learning. By strategically freezing parameters when their gradients converge, GradES speeds up training time by 1.57--7.22times while simultaneously enhancing generalization through early prevention of overfitting, resulting in 1.2% higher average accuracy.

We consider a deep matrix factorization model of covariance matrices trained with the Bures-Wasserstein distance. While recent works have made important advances in the study of the optimization problem for overparametrized low-rank matrix approximation, much emphasis has been placed on discriminative settings and the square loss. In contrast, our model considers another interesting type of loss and connects with the generative setting. We characterize the critical points and minimizers of the Bures-Wasserstein distance over the space of rank-bounded matrices. For low-rank matrices the Hessian of this loss can theoretically blow up, which creates challenges to analyze convergence of optimizaton methods. We establish convergence results for gradient flow using a smooth perturbative version of the loss and convergence results for finite step size gradient descent under certain assumptions on the initial weights.

This paper provides a review and commentary on the past, present, and future of numerical optimization algorithms in the context of machine learning applications. Through case studies on text classification and the training of deep neural networks, we discuss how optimization problems arise in machine learning and what makes them challenging. A major theme of our study is that large-scale machine learning represents a distinctive setting in which the stochastic gradient (SG) method has traditionally played a central role while conventional gradient-based nonlinear optimization techniques typically falter. Based on this viewpoint, we present a comprehensive theory of a straightforward, yet versatile SG algorithm, discuss its practical behavior, and highlight opportunities for designing algorithms with improved performance. This leads to a discussion about the next generation of optimization methods for large-scale machine learning, including an investigation of two main streams of research on techniques that diminish noise in the stochastic directions and methods that make use of second-order derivative approximations.

One puzzling artifact in machine learning dubbed grokking is where delayed generalization is achieved tenfolds of iterations after near perfect overfitting to the training data. Focusing on the long delay itself on behalf of machine learning practitioners, our goal is to accelerate generalization of a model under grokking phenomenon. By regarding a series of gradients of a parameter over training iterations as a random signal over time, we can spectrally decompose the parameter trajectories under gradient descent into two components: the fast-varying, overfitting-yielding component and the slow-varying, generalization-inducing component. This analysis allows us to accelerate the grokking phenomenon more than times 50 with only a few lines of code that amplifies the slow-varying components of gradients. The experiments show that our algorithm applies to diverse tasks involving images, languages, and graphs, enabling practical availability of this peculiar artifact of sudden generalization. Our code is available at https://github.com/ironjr/grokfast.

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

In this paper, we propose a speed-up approach for subclass discriminant analysis and formulate a novel efficient multi-view solution to it. The speed-up approach is developed based on graph embedding and spectral regression approaches that involve eigendecomposition of the corresponding Laplacian matrix and regression to its eigenvectors. We show that by exploiting the structure of the between-class Laplacian matrix, the eigendecomposition step can be substituted with a much faster process. Furthermore, we formulate a novel criterion for multi-view subclass discriminant analysis and show that an efficient solution for it can be obtained in a similar to the single-view manner. We evaluate the proposed methods on nine single-view and nine multi-view datasets and compare them with related existing approaches. Experimental results show that the proposed solutions achieve competitive performance, often outperforming the existing methods. At the same time, they significantly decrease the training time.

Convolutional Neural Networks (CNN) have been successful in processing data signals that are uniformly sampled in the spatial domain (e.g., images). However, most data signals do not natively exist on a grid, and in the process of being sampled onto a uniform physical grid suffer significant aliasing error and information loss. Moreover, signals can exist in different topological structures as, for example, points, lines, surfaces and volumes. It has been challenging to analyze signals with mixed topologies (for example, point cloud with surface mesh). To this end, we develop mathematical formulations for Non-Uniform Fourier Transforms (NUFT) to directly, and optimally, sample nonuniform data signals of different topologies defined on a simplex mesh into the spectral domain with no spatial sampling error. The spectral transform is performed in the Euclidean space, which removes the translation ambiguity from works on the graph spectrum. Our representation has four distinct advantages: (1) the process causes no spatial sampling error during the initial sampling, (2) the generality of this approach provides a unified framework for using CNNs to analyze signals of mixed topologies, (3) it allows us to leverage state-of-the-art backbone CNN architectures for effective learning without having to design a particular architecture for a particular data structure in an ad-hoc fashion, and (4) the representation allows weighted meshes where each element has a different weight (i.e., texture) indicating local properties. We achieve results on par with the state-of-the-art for the 3D shape retrieval task, and a new state-of-the-art for the point cloud to surface reconstruction task.

The push to train ever larger neural networks has motivated the study of initialization and training at large network width. A key challenge is to scale training so that a network's internal representations evolve nontrivially at all widths, a process known as feature learning. Here, we show that feature learning is achieved by scaling the spectral norm of weight matrices and their updates like texttt{fan-out/fan-in}, in contrast to widely used but heuristic scalings based on Frobenius norm and entry size. Our spectral scaling analysis also leads to an elementary derivation of maximal update parametrization. All in all, we aim to provide the reader with a solid conceptual understanding of feature learning in neural networks.

In this work, we develop new optimization algorithms that use approximate second-order information combined with the gradient regularization technique to achieve fast global convergence rates for both convex and non-convex objectives. The key innovation of our analysis is a novel notion called Gradient-Normalized Smoothness, which characterizes the maximum radius of a ball around the current point that yields a good relative approximation of the gradient field. Our theory establishes a natural intrinsic connection between Hessian approximation and the linearization of the gradient. Importantly, Gradient-Normalized Smoothness does not depend on the specific problem class of the objective functions, while effectively translating local information about the gradient field and Hessian approximation into the global behavior of the method. This new concept equips approximate second-order algorithms with universal global convergence guarantees, recovering state-of-the-art rates for functions with H\"older-continuous Hessians and third derivatives, quasi-self-concordant functions, as well as smooth classes in first-order optimization. These rates are achieved automatically and extend to broader classes, such as generalized self-concordant functions. We demonstrate direct applications of our results for global linear rates in logistic regression and softmax problems with approximate Hessians, as well as in non-convex optimization using Fisher and Gauss-Newton approximations.

In this paper we introduce Feature Gradients, a gradient-based search algorithm for feature selection. Our approach extends a recent result on the estimation of learnability in the sublinear data regime by showing that the calculation can be performed iteratively (i.e., in mini-batches) and in linear time and space with respect to both the number of features D and the sample size N . This, along with a discrete-to-continuous relaxation of the search domain, allows for an efficient, gradient-based search algorithm among feature subsets for very large datasets. Crucially, our algorithm is capable of finding higher-order correlations between features and targets for both the N > D and N < D regimes, as opposed to approaches that do not consider such interactions and/or only consider one regime. We provide experimental demonstration of the algorithm in small and large sample-and feature-size settings.

Beyond minimizing a single training loss, many deep learning estimation pipelines rely on an auxiliary objective to quantify and encourage desirable properties of the model (e.g. performance on another dataset, robustness, agreement with a prior). Although the simplest approach to incorporating an auxiliary loss is to sum it with the training loss as a regularizer, recent works have shown that one can improve performance by blending the gradients beyond a simple sum; this is known as gradient surgery. We cast the problem as a constrained minimization problem where the auxiliary objective is minimized among the set of minimizers of the training loss. To solve this bilevel problem, we follow a parameter update direction that combines the training loss gradient and the orthogonal projection of the auxiliary gradient to the training gradient. In a setting where gradients come from mini-batches, we explain how, using a moving average of the training loss gradients, we can carefully maintain this critical orthogonality property. We demonstrate that our method, Bloop, can lead to much better performances on NLP and vision experiments than other gradient surgery methods without EMA.

The increasing congestion of the radio frequency spectrum presents challenges for efficient spectrum utilization. Cognitive radio systems enable dynamic spectrum access with the aid of recent innovations in neural networks. However, traditional real-valued neural networks (RVNNs) face difficulties in low signal-to-noise ratio (SNR) environments, as they were not specifically developed to capture essential wireless signal properties such as phase and amplitude. This work presents CMuSeNet, a complex-valued multi-signal segmentation network for wideband spectrum sensing, to address these limitations. Extensive hyperparameter analysis shows that a naive conversion of existing RVNNs into their complex-valued counterparts is ineffective. Built on complex-valued neural networks (CVNNs) with a residual architecture, CMuSeNet introduces a complexvalued Fourier spectrum focal loss (CFL) and a complex plane intersection over union (CIoU) similarity metric to enhance training performance. Extensive evaluations on synthetic, indoor overthe-air, and real-world datasets show that CMuSeNet achieves an average accuracy of 98.98%-99.90%, improving by up to 9.2 percentage points over its real-valued counterpart and consistently outperforms state of the art. Strikingly, CMuSeNet achieves the accuracy level of its RVNN counterpart in just two epochs, compared to the 27 epochs required for RVNN, while reducing training time by up to a 92.2% over the state of the art. The results highlight the effectiveness of complex-valued architectures in improving weak signal detection and training efficiency for spectrum sensing in challenging low-SNR environments. The dataset is available at: https://dx.doi.org/10.21227/hcc1-6p22

Recent work shows that path gradient estimators for normalizing flows have lower variance compared to standard estimators for variational inference, resulting in improved training. However, they are often prohibitively more expensive from a computational point of view and cannot be applied to maximum likelihood training in a scalable manner, which severely hinders their widespread adoption. In this work, we overcome these crucial limitations. Specifically, we propose a fast path gradient estimator which improves computational efficiency significantly and works for all normalizing flow architectures of practical relevance. We then show that this estimator can also be applied to maximum likelihood training for which it has a regularizing effect as it can take the form of a given target energy function into account. We empirically establish its superior performance and reduced variance for several natural sciences applications.

Hyperspectral pansharpening has received much attention in recent years due to technological and methodological advances that open the door to new application scenarios. However, research on this topic is only now gaining momentum. The most popular methods are still borrowed from the more mature field of multispectral pansharpening and often overlook the unique challenges posed by hyperspectral data fusion, such as i) the very large number of bands, ii) the overwhelming noise in selected spectral ranges, iii) the significant spectral mismatch between panchromatic and hyperspectral components, iv) a typically high resolution ratio. Imprecise data modeling especially affects spectral fidelity. Even state-of-the-art methods perform well in certain spectral ranges and much worse in others, failing to ensure consistent quality across all bands, with the risk of generating unreliable results. Here, we propose a hyperspectral pansharpening method that explicitly addresses this problem and ensures uniform spectral quality. To this end, a single lightweight neural network is used, with weights that adapt on the fly to each band. During fine-tuning, the spatial loss is turned on and off to ensure a fast convergence of the spectral loss to the desired level, according to a hysteresis-like dynamic. Furthermore, the spatial loss itself is appropriately redefined to account for nonlinear dependencies between panchromatic and spectral bands. Overall, the proposed method is fully unsupervised, with no prior training on external data, flexible, and low-complexity. Experiments on a recently published benchmarking toolbox show that it ensures excellent sharpening quality, competitive with the state-of-the-art, consistently across all bands. The software code and the full set of results are shared online on https://github.com/giu-guarino/rho-PNN.

Autoregressive (AR) models for image generation typically adopt a two-stage paradigm of vector quantization and raster-scan ``next-token prediction", inspired by its great success in language modeling. However, due to the huge modality gap, image autoregressive models may require a systematic reevaluation from two perspectives: tokenizer format and regression direction. In this paper, we introduce the frequency progressive autoregressive (FAR) paradigm and instantiate FAR with the continuous tokenizer. Specifically, we identify spectral dependency as the desirable regression direction for FAR, wherein higher-frequency components build upon the lower one to progressively construct a complete image. This design seamlessly fits the causality requirement for autoregressive models and preserves the unique spatial locality of image data. Besides, we delve into the integration of FAR and the continuous tokenizer, introducing a series of techniques to address optimization challenges and improve the efficiency of training and inference processes. We demonstrate the efficacy of FAR through comprehensive experiments on the ImageNet dataset and verify its potential on text-to-image generation.

The 3D Gaussian Splatting (3DGS) gained its popularity recently by combining the advantages of both primitive-based and volumetric 3D representations, resulting in improved quality and efficiency for 3D scene rendering. However, 3DGS is not alias-free, and its rendering at varying resolutions could produce severe blurring or jaggies. This is because 3DGS treats each pixel as an isolated, single point rather than as an area, causing insensitivity to changes in the footprints of pixels. Consequently, this discrete sampling scheme inevitably results in aliasing, owing to the restricted sampling bandwidth. In this paper, we derive an analytical solution to address this issue. More specifically, we use a conditioned logistic function as the analytic approximation of the cumulative distribution function (CDF) in a one-dimensional Gaussian signal and calculate the Gaussian integral by subtracting the CDFs. We then introduce this approximation in the two-dimensional pixel shading, and present Analytic-Splatting, which analytically approximates the Gaussian integral within the 2D-pixel window area to better capture the intensity response of each pixel. Moreover, we use the approximated response of the pixel window integral area to participate in the transmittance calculation of volume rendering, making Analytic-Splatting sensitive to the changes in pixel footprint at different resolutions. Experiments on various datasets validate that our approach has better anti-aliasing capability that gives more details and better fidelity.

Explaining the output of a deep network remains a challenge. In the case of an image classifier, one type of explanation is to identify pixels that strongly influence the final decision. A starting point for this strategy is the gradient of the class score function with respect to the input image. This gradient can be interpreted as a sensitivity map, and there are several techniques that elaborate on this basic idea. This paper makes two contributions: it introduces SmoothGrad, a simple method that can help visually sharpen gradient-based sensitivity maps, and it discusses lessons in the visualization of these maps. We publish the code for our experiments and a website with our results.

How to ensure fairness is an important topic in federated learning (FL). Recent studies have investigated how to reward clients based on their contribution (collaboration fairness), and how to achieve uniformity of performance across clients (performance fairness). Despite achieving progress on either one, we argue that it is critical to consider them together, in order to engage and motivate more diverse clients joining FL to derive a high-quality global model. In this work, we propose a novel method to optimize both types of fairness simultaneously. Specifically, we propose to estimate client contribution in gradient and data space. In gradient space, we monitor the gradient direction differences of each client with respect to others. And in data space, we measure the prediction error on client data using an auxiliary model. Based on this contribution estimation, we propose a FL method, federated training via contribution estimation (FedCE), i.e., using estimation as global model aggregation weights. We have theoretically analyzed our method and empirically evaluated it on two real-world medical datasets. The effectiveness of our approach has been validated with significant performance improvements, better collaboration fairness, better performance fairness, and comprehensive analytical studies.

Most popular optimizers for deep learning can be broadly categorized as adaptive methods (e.g. Adam) and accelerated schemes (e.g. stochastic gradient descent (SGD) with momentum). For many models such as convolutional neural networks (CNNs), adaptive methods typically converge faster but generalize worse compared to SGD; for complex settings such as generative adversarial networks (GANs), adaptive methods are typically the default because of their stability.We propose AdaBelief to simultaneously achieve three goals: fast convergence as in adaptive methods, good generalization as in SGD, and training stability. The intuition for AdaBelief is to adapt the stepsize according to the "belief" in the current gradient direction. Viewing the exponential moving average (EMA) of the noisy gradient as the prediction of the gradient at the next time step, if the observed gradient greatly deviates from the prediction, we distrust the current observation and take a small step; if the observed gradient is close to the prediction, we trust it and take a large step. We validate AdaBelief in extensive experiments, showing that it outperforms other methods with fast convergence and high accuracy on image classification and language modeling. Specifically, on ImageNet, AdaBelief achieves comparable accuracy to SGD. Furthermore, in the training of a GAN on Cifar10, AdaBelief demonstrates high stability and improves the quality of generated samples compared to a well-tuned Adam optimizer. Code is available at https://github.com/juntang-zhuang/Adabelief-Optimizer

Multimodal learning has developed very fast in recent years. However, during the multimodal training process, the model tends to rely on only one modality based on which it could learn faster, thus leading to inadequate use of other modalities. Existing methods to balance the training process always have some limitations on the loss functions, optimizers and the number of modalities and only consider modulating the magnitude of the gradients while ignoring the directions of the gradients. To solve these problems, in this paper, we present a novel method to balance multimodal learning with Classifier-Guided Gradient Modulation (CGGM), considering both the magnitude and directions of the gradients. We conduct extensive experiments on four multimodal datasets: UPMC-Food 101, CMU-MOSI, IEMOCAP and BraTS 2021, covering classification, regression and segmentation tasks. The results show that CGGM outperforms all the baselines and other state-of-the-art methods consistently, demonstrating its effectiveness and versatility. Our code is available at https://github.com/zrguo/CGGM.

Can we build continuous generative models which generalize across scales, can be evaluated at any coordinate, admit calculation of exact derivatives, and are conceptually simple? Existing MLP-based architectures generate worse samples than the grid-based generators with favorable convolutional inductive biases. Models that focus on generating images at different scales do better, but employ complex architectures not designed for continuous evaluation of images and derivatives. We take a signal-processing perspective and treat continuous image generation as interpolation from samples. Indeed, correctly sampled discrete images contain all information about the low spatial frequencies. The question is then how to extrapolate the spectrum in a data-driven way while meeting the above design criteria. Our answer is FunkNN -- a new convolutional network which learns how to reconstruct continuous images at arbitrary coordinates and can be applied to any image dataset. Combined with a discrete generative model it becomes a functional generator which can act as a prior in continuous ill-posed inverse problems. We show that FunkNN generates high-quality continuous images and exhibits strong out-of-distribution performance thanks to its patch-based design. We further showcase its performance in several stylized inverse problems with exact spatial derivatives.

In distributed computing, slower nodes (stragglers) usually become a bottleneck. Gradient Coding (GC), introduced by Tandon et al., is an efficient technique that uses principles of error-correcting codes to distribute gradient computation in the presence of stragglers. In this paper, we consider the distributed computation of a sequence of gradients {g(1),g(2),ldots,g(J)}, where processing of each gradient g(t) starts in round-t and finishes by round-(t+T). Here Tgeq 0 denotes a delay parameter. For the GC scheme, coding is only across computing nodes and this results in a solution where T=0. On the other hand, having T>0 allows for designing schemes which exploit the temporal dimension as well. In this work, we propose two schemes that demonstrate improved performance compared to GC. Our first scheme combines GC with selective repetition of previously unfinished tasks and achieves improved straggler mitigation. In our second scheme, which constitutes our main contribution, we apply GC to a subset of the tasks and repetition for the remainder of the tasks. We then multiplex these two classes of tasks across workers and rounds in an adaptive manner, based on past straggler patterns. Using theoretical analysis, we demonstrate that our second scheme achieves significant reduction in the computational load. In our experiments, we study a practical setting of concurrently training multiple neural networks over an AWS Lambda cluster involving 256 worker nodes, where our framework naturally applies. We demonstrate that the latter scheme can yield a 16\% improvement in runtime over the baseline GC scheme, in the presence of naturally occurring, non-simulated stragglers.

Since the control of the Lipschitz constant has a great impact on the training stability, generalization, and robustness of neural networks, the estimation of this value is nowadays a real scientific challenge. In this paper we introduce a precise, fast, and differentiable upper bound for the spectral norm of convolutional layers using circulant matrix theory and a new alternative to the Power iteration. Called the Gram iteration, our approach exhibits a superlinear convergence. First, we show through a comprehensive set of experiments that our approach outperforms other state-of-the-art methods in terms of precision, computational cost, and scalability. Then, it proves highly effective for the Lipschitz regularization of convolutional neural networks, with competitive results against concurrent approaches. Code is available at https://github.com/blaisedelattre/lip4conv.

Score distillation sampling (SDS), the methodology in which the score from pretrained 2D diffusion models is distilled into 3D representation, has recently brought significant advancements in text-to-3D generation task. However, this approach is still confronted with critical geometric inconsistency problems such as the Janus problem. Starting from a hypothesis that such inconsistency problems may be induced by multiview inconsistencies between 2D scores predicted from various viewpoints, we introduce GSD, a simple and general plug-and-play framework for incorporating 3D consistency and therefore geometry awareness into the SDS process. Our methodology is composed of three components: 3D consistent noising, designed to produce 3D consistent noise maps that perfectly follow the standard Gaussian distribution, geometry-based gradient warping for identifying correspondences between predicted gradients of different viewpoints, and novel gradient consistency loss to optimize the scene geometry toward producing more consistent gradients. We demonstrate that our method significantly improves performance, successfully addressing the geometric inconsistency problems in text-to-3D generation task with minimal computation cost and being compatible with existing score distillation-based models. Our project page is available at https://ku-cvlab.github.io/GSD/.

Machine learning based solvers have garnered much attention in physical simulation and scientific computing, with a prominent example, physics-informed neural networks (PINNs). However, PINNs often struggle to solve high-frequency and multi-scale PDEs, which can be due to spectral bias during neural network training. To address this problem, we resort to the Gaussian process (GP) framework. To flexibly capture the dominant frequencies, we model the power spectrum of the PDE solution with a student t mixture or Gaussian mixture. We apply the inverse Fourier transform to obtain the covariance function (by Wiener-Khinchin theorem). The covariance derived from the Gaussian mixture spectrum corresponds to the known spectral mixture kernel. Next, we estimate the mixture weights in the log domain, which we show is equivalent to placing a Jeffreys prior. It automatically induces sparsity, prunes excessive frequencies, and adjusts the remaining toward the ground truth. Third, to enable efficient and scalable computation on massive collocation points, which are critical to capture high frequencies, we place the collocation points on a grid, and multiply our covariance function at each input dimension. We use the GP conditional mean to predict the solution and its derivatives so as to fit the boundary condition and the equation itself. As a result, we can derive a Kronecker product structure in the covariance matrix. We use Kronecker product properties and multilinear algebra to promote computational efficiency and scalability, without low-rank approximations. We show the advantage of our method in systematic experiments. The code is released at https://github.com/xuangu-fang/Gaussian-Process-Slover-for-High-Freq-PDE.

Loss explosions in training deep neural networks can nullify multi-million dollar training runs. Conventional monitoring metrics like weight and gradient norms are often lagging and ambiguous predictors, as their values vary dramatically across different models and even between layers of the same model, making it difficult to establish a unified standard for detecting impending failure. We introduce Spectral Alignment (SA), a novel, theoretically-grounded metric that monitors the distributional alignment between layer inputs and the principal singular vectors of weight matrices. We show that a collapse in the sign diversity of this alignment is a powerful early predictor of representational collapse and training divergence. Empirical results on language models demonstrate that monitoring the SA distribution provides a significantly earlier and clearer warning of loss explosions than traditional scalar metrics. SA's low computational overhead makes it a practical tool for safeguarding model training.

Implicit Neural Representations (INRs), as a versatile representation paradigm, have achieved success in various computer vision tasks. Due to the spectral bias of the vanilla multi-layer perceptrons (MLPs), existing methods focus on designing MLPs with sophisticated architectures or repurposing training techniques for highly accurate INRs. In this paper, we delve into the linear dynamics model of MLPs and theoretically identify the empirical Neural Tangent Kernel (eNTK) matrix as a reliable link between spectral bias and training dynamics. Based on this insight, we propose a practical Inductive Gradient Adjustment (IGA) method, which could purposefully improve the spectral bias via inductive generalization of eNTK-based gradient transformation matrix. Theoretical and empirical analyses validate impacts of IGA on spectral bias. Further, we evaluate our method on different INRs tasks with various INR architectures and compare to existing training techniques. The superior and consistent improvements clearly validate the advantage of our IGA. Armed with our gradient adjustment method, better INRs with more enhanced texture details and sharpened edges can be learned from data by tailored impacts on spectral bias.

Smoothness and low dimensional structures play central roles in improving generalization and stability in learning and statistics. This work combines techniques from semi-infinite constrained learning and manifold regularization to learn representations that are globally smooth on a manifold. To do so, it shows that under typical conditions the problem of learning a Lipschitz continuous function on a manifold is equivalent to a dynamically weighted manifold regularization problem. This observation leads to a practical algorithm based on a weighted Laplacian penalty whose weights are adapted using stochastic gradient techniques. It is shown that under mild conditions, this method estimates the Lipschitz constant of the solution, learning a globally smooth solution as a byproduct. Experiments on real world data illustrate the advantages of the proposed method relative to existing alternatives.

The foundation model has recently garnered significant attention due to its potential to revolutionize the field of visual representation learning in a self-supervised manner. While most foundation models are tailored to effectively process RGB images for various visual tasks, there is a noticeable gap in research focused on spectral data, which offers valuable information for scene understanding, especially in remote sensing (RS) applications. To fill this gap, we created for the first time a universal RS foundation model, named SpectralGPT, which is purpose-built to handle spectral RS images using a novel 3D generative pretrained transformer (GPT). Compared to existing foundation models, SpectralGPT 1) accommodates input images with varying sizes, resolutions, time series, and regions in a progressive training fashion, enabling full utilization of extensive RS big data; 2) leverages 3D token generation for spatial-spectral coupling; 3) captures spectrally sequential patterns via multi-target reconstruction; 4) trains on one million spectral RS images, yielding models with over 600 million parameters. Our evaluation highlights significant performance improvements with pretrained SpectralGPT models, signifying substantial potential in advancing spectral RS big data applications within the field of geoscience across four downstream tasks: single/multi-label scene classification, semantic segmentation, and change detection.

We consider the reinforcement learning (RL) problem with general utilities which consists in maximizing a function of the state-action occupancy measure. Beyond the standard cumulative reward RL setting, this problem includes as particular cases constrained RL, pure exploration and learning from demonstrations among others. For this problem, we propose a simpler single-loop parameter-free normalized policy gradient algorithm. Implementing a recursive momentum variance reduction mechanism, our algorithm achieves mathcal{O}(epsilon^{-3}) and mathcal{O}(epsilon^{-2}) sample complexities for epsilon-first-order stationarity and epsilon-global optimality respectively, under adequate assumptions. We further address the setting of large finite state action spaces via linear function approximation of the occupancy measure and show a mathcal{O}(epsilon^{-4}) sample complexity for a simple policy gradient method with a linear regression subroutine.

Policy gradient methods hold great potential for solving complex continuous control tasks. Still, their training efficiency can be improved by exploiting structure within the optimization problem. Recent work indicates that supervised learning can be accelerated by leveraging the fact that gradients lie in a low-dimensional and slowly-changing subspace. In this paper, we conduct a thorough evaluation of this phenomenon for two popular deep policy gradient methods on various simulated benchmark tasks. Our results demonstrate the existence of such gradient subspaces despite the continuously changing data distribution inherent to reinforcement learning. These findings reveal promising directions for future work on more efficient reinforcement learning, e.g., through improving parameter-space exploration or enabling second-order optimization.

We tackle the problem of image inpainting in the remote sensing domain. Remote sensing images possess high resolution and geographical variations, that render the conventional inpainting methods less effective. This further entails the requirement of models with high complexity to sufficiently capture the spectral, spatial and textural nuances within an image, emerging from its high spatial variability. To this end, we propose a novel inpainting method that individually focuses on each aspect of an image such as edges, colour and texture using a task specific GAN. Moreover, each individual GAN also incorporates the attention mechanism that explicitly extracts the spectral and spatial features. To ensure consistent gradient flow, the model uses residual learning paradigm, thus simultaneously working with high and low level features. We evaluate our model, alongwith previous state of the art models, on the two well known remote sensing datasets, Open Cities AI and Earth on Canvas, and achieve competitive performance.

Many optimization problems are inherently multi-objective. To address them, we formalize Jacobian descent (JD), a direct generalization of gradient descent for vector-valued functions. Each step of this algorithm relies on a Jacobian matrix consisting of one gradient per objective. The aggregator, responsible for reducing this matrix into an update vector, characterizes JD. While the multi-task learning literature already contains a variety of aggregators, they often lack some natural properties. In particular, the update should not conflict with any objective and should scale proportionally to the norm of each gradient. We propose a new aggregator specifically designed to satisfy this. Emphasizing conflict between objectives, we then highlight direct applications for our methods. Most notably, we introduce instance-wise risk minimization (IWRM), a learning paradigm in which the loss of each training example is considered a separate objective. On simple image classification tasks, IWRM exhibits promising results compared to the direct minimization of the average loss. The performance of our aggregator in those experiments also corroborates our theoretical findings. Lastly, as speed is the main limitation of JD, we provide a path towards a more efficient implementation.

We present a novel approach to accelerate stochastic gradient descent (SGD) by utilizing curvature information obtained from Hessian-vector products or finite differences of parameters and gradients, similar to the BFGS algorithm. Our approach involves two preconditioners: a matrix-free preconditioner and a low-rank approximation preconditioner. We update both preconditioners online using a criterion that is robust to stochastic gradient noise and does not require line search or damping. To preserve the corresponding symmetry or invariance, our preconditioners are constrained to certain connected Lie groups. The Lie group's equivariance property simplifies the preconditioner fitting process, while its invariance property eliminates the need for damping, which is commonly required in second-order optimizers. As a result, the learning rate for parameter updating and the step size for preconditioner fitting are naturally normalized, and their default values work well in most scenarios. Our proposed approach offers a promising direction for improving the convergence of SGD with low computational overhead. We demonstrate that Preconditioned SGD (PSGD) outperforms SoTA on Vision, NLP, and RL tasks across multiple modern deep-learning architectures. We have provided code for reproducing toy and large scale experiments in this paper.

Deep neural networks are known to exhibit a spectral learning bias, wherein low-frequency components are learned early in training, while high-frequency modes emerge more gradually in later epochs. However, when the target signal lacks low-frequency components and is dominated by broadband high frequencies, training suffers from a 'spectral bottleneck', and the model fails to reconstruct the entire signal, including the frequency components that lie within the network's representational capacity. We examine such a scenario in the context of implicit neural representations (INRs) with sinusoidal representation networks (SIRENs), focusing on the challenge of fitting high-frequency-dominant signals that are susceptible to spectral bottleneck. To effectively fit any target signal irrespective of it's frequency content, we propose a generalized target-aware 'weight perturbation scheme' (WINNER - weight initialization with noise for neural representations) for network initialization. The scheme perturbs uniformly initialized weights with Gaussian noise, where the noise scales are adaptively determined by the spectral centroid of the target signal. We show that the noise scales can provide control over the spectra of network activations and the eigenbasis of the empirical neural tangent kernel. This method not only addresses the spectral bottleneck but also yields faster convergence and with improved representation accuracy, outperforming state-of-the-art approaches in audio fitting and achieving notable gains in image fitting and denoising tasks. Beyond signal reconstruction, our approach opens new directions for adaptive weight initialization strategies in computer vision and scientific machine learning.

In this paper, we study the implicit regularization of stochastic gradient descent (SGD) through the lens of {\em dynamical stability} (Wu et al., 2018). We start by revising existing stability analyses of SGD, showing how the Frobenius norm and trace of Hessian relate to different notions of stability. Notably, if a global minimum is linearly stable for SGD, then the trace of Hessian must be less than or equal to 2/eta, where eta denotes the learning rate. By contrast, for gradient descent (GD), the stability imposes a similar constraint but only on the largest eigenvalue of Hessian. We then turn to analyze the generalization properties of these stable minima, focusing specifically on two-layer ReLU networks and diagonal linear networks. Notably, we establish the {\em equivalence} between these metrics of sharpness and certain parameter norms for the two models, which allows us to show that the stable minima of SGD provably generalize well. By contrast, the stability-induced regularization of GD is provably too weak to ensure satisfactory generalization. This discrepancy provides an explanation of why SGD often generalizes better than GD. Note that the learning rate (LR) plays a pivotal role in the strength of stability-induced regularization. As the LR increases, the regularization effect becomes more pronounced, elucidating why SGD with a larger LR consistently demonstrates superior generalization capabilities. Additionally, numerical experiments are provided to support our theoretical findings.

Stochastically Extended Adversarial (SEA) model is introduced by Sachs et al. [2022] as an interpolation between stochastic and adversarial online convex optimization. Under the smoothness condition, they demonstrate that the expected regret of optimistic follow-the-regularized-leader (FTRL) depends on the cumulative stochastic variance sigma_{1:T}^2 and the cumulative adversarial variation Sigma_{1:T}^2 for convex functions. They also provide a slightly weaker bound based on the maximal stochastic variance sigma_{max}^2 and the maximal adversarial variation Sigma_{max}^2 for strongly convex functions. Inspired by their work, we investigate the theoretical guarantees of optimistic online mirror descent (OMD) for the SEA model. For convex and smooth functions, we obtain the same O(sigma_{1:T^2}+Sigma_{1:T^2}) regret bound, without the convexity requirement of individual functions. For strongly convex and smooth functions, we establish an O(min{log (sigma_{1:T}^2+Sigma_{1:T}^2), (sigma_{max}^2 + Sigma_{max}^2) log T}) bound, better than their O((sigma_{max}^2 + Sigma_{max}^2) log T) bound. For exp-concave and smooth functions, we achieve a new O(dlog(sigma_{1:T}^2+Sigma_{1:T}^2)) bound. Owing to the OMD framework, we can further extend our result to obtain dynamic regret guarantees, which are more favorable in non-stationary online scenarios. The attained results allow us to recover excess risk bounds of the stochastic setting and regret bounds of the adversarial setting, and derive new guarantees for many intermediate scenarios.

We consider the distributionally robust optimization (DRO) problem with spectral risk-based uncertainty set and f-divergence penalty. This formulation includes common risk-sensitive learning objectives such as regularized condition value-at-risk (CVaR) and average top-k loss. We present Prospect, a stochastic gradient-based algorithm that only requires tuning a single learning rate hyperparameter, and prove that it enjoys linear convergence for smooth regularized losses. This contrasts with previous algorithms that either require tuning multiple hyperparameters or potentially fail to converge due to biased gradient estimates or inadequate regularization. Empirically, we show that Prospect can converge 2-3times faster than baselines such as stochastic gradient and stochastic saddle-point methods on distribution shift and fairness benchmarks spanning tabular, vision, and language domains.

Learning to Rank (LTR) algorithms are usually evaluated using Information Retrieval metrics like Normalised Discounted Cumulative Gain (NDCG) or Mean Average Precision. As these metrics rely on sorting predicted items' scores (and thus, on items' ranks), their derivatives are either undefined or zero everywhere. This makes them unsuitable for gradient-based optimisation, which is the usual method of learning appropriate scoring functions. Commonly used LTR loss functions are only loosely related to the evaluation metrics, causing a mismatch between the optimisation objective and the evaluation criterion. In this paper, we address this mismatch by proposing NeuralNDCG, a novel differentiable approximation to NDCG. Since NDCG relies on the non-differentiable sorting operator, we obtain NeuralNDCG by relaxing that operator using NeuralSort, a differentiable approximation of sorting. As a result, we obtain a new ranking loss function which is an arbitrarily accurate approximation to the evaluation metric, thus closing the gap between the training and the evaluation of LTR models. We introduce two variants of the proposed loss function. Finally, the empirical evaluation shows that our proposed method outperforms previous work aimed at direct optimisation of NDCG and is competitive with the state-of-the-art methods.

Real-world datasets exhibit imbalances of varying types and degrees. Several techniques based on re-weighting and margin adjustment of loss are often used to enhance the performance of neural networks, particularly on minority classes. In this work, we analyze the class-imbalanced learning problem by examining the loss landscape of neural networks trained with re-weighting and margin-based techniques. Specifically, we examine the spectral density of Hessian of class-wise loss, through which we observe that the network weights converge to a saddle point in the loss landscapes of minority classes. Following this observation, we also find that optimization methods designed to escape from saddle points can be effectively used to improve generalization on minority classes. We further theoretically and empirically demonstrate that Sharpness-Aware Minimization (SAM), a recent technique that encourages convergence to a flat minima, can be effectively used to escape saddle points for minority classes. Using SAM results in a 6.2\% increase in accuracy on the minority classes over the state-of-the-art Vector Scaling Loss, leading to an overall average increase of 4\% across imbalanced datasets. The code is available at: https://github.com/val-iisc/Saddle-LongTail.

Shampoo is an online and stochastic optimization algorithm belonging to the AdaGrad family of methods for training neural networks. It constructs a block-diagonal preconditioner where each block consists of a coarse Kronecker product approximation to full-matrix AdaGrad for each parameter of the neural network. In this work, we provide a complete description of the algorithm as well as the performance optimizations that our implementation leverages to train deep networks at-scale in PyTorch. Our implementation enables fast multi-GPU distributed data-parallel training by distributing the memory and computation associated with blocks of each parameter via PyTorch's DTensor data structure and performing an AllGather primitive on the computed search directions at each iteration. This major performance enhancement enables us to achieve at most a 10% performance reduction in per-step wall-clock time compared against standard diagonal-scaling-based adaptive gradient methods. We validate our implementation by performing an ablation study on training ImageNet ResNet50, demonstrating Shampoo's superiority over standard training recipes with minimal hyperparameter tuning.

In recent years, there has been a growing interest in deep learning-based pansharpening. Thus far, research has mainly focused on architectures. Nonetheless, model training is an equally important issue. A first problem is the absence of ground truths, unavoidable in pansharpening. This is often addressed by training networks in a reduced resolution domain and using the original data as ground truth, relying on an implicit scale invariance assumption. However, on full resolution images results are often disappointing, suggesting such invariance not to hold. A further problem is the scarcity of training data, which causes a limited generalization ability and a poor performance on off-training test images. In this paper, we propose a full-resolution training framework for deep learning-based pansharpening. The framework is fully general and can be used for any deep learning-based pansharpening model. Training takes place in the high-resolution domain, relying only on the original data, thus avoiding any loss of information. To ensure spectral and spatial fidelity, a suitable two-component loss is defined. The spectral component enforces consistency between the pansharpened output and the low-resolution multispectral input. The spatial component, computed at high-resolution, maximizes the local correlation between each pansharpened band and the panchromatic input. At testing time, the target-adaptive operating modality is adopted, achieving good generalization with a limited computational overhead. Experiments carried out on WorldView-3, WorldView-2, and GeoEye-1 images show that methods trained with the proposed framework guarantee a pretty good performance in terms of both full-resolution numerical indexes and visual quality.

Graph-level anomaly detection has gained significant attention as it finds applications in various domains, such as cancer diagnosis and enzyme prediction. However, existing methods fail to capture the spectral properties of graph anomalies, resulting in unexplainable framework design and unsatisfying performance. In this paper, we re-investigate the spectral differences between anomalous and normal graphs. Our main observation shows a significant disparity in the accumulated spectral energy between these two classes. Moreover, we prove that the accumulated spectral energy of the graph signal can be represented by its Rayleigh Quotient, indicating that the Rayleigh Quotient is a driving factor behind the anomalous properties of graphs. Motivated by this, we propose Rayleigh Quotient Graph Neural Network (RQGNN), the first spectral GNN that explores the inherent spectral features of anomalous graphs for graph-level anomaly detection. Specifically, we introduce a novel framework with two components: the Rayleigh Quotient learning component (RQL) and Chebyshev Wavelet GNN with RQ-pooling (CWGNN-RQ). RQL explicitly captures the Rayleigh Quotient of graphs and CWGNN-RQ implicitly explores the spectral space of graphs. Extensive experiments on 10 real-world datasets show that RQGNN outperforms the best rival by 6.74% in Macro-F1 score and 1.44% in AUC, demonstrating the effectiveness of our framework. Our code is available at https://github.com/xydong127/RQGNN.

As models for nature language processing (NLP), computer vision (CV) and recommendation systems (RS) require surging computation, a large number of GPUs/TPUs are paralleled as a large batch (LB) to improve training throughput. However, training such LB tasks often meets large generalization gap and downgrades final precision, which limits enlarging the batch size. In this work, we develop the variance reduced gradient descent technique (VRGD) based on the gradient signal to noise ratio (GSNR) and apply it onto popular optimizers such as SGD/Adam/LARS/LAMB. We carry out a theoretical analysis of convergence rate to explain its fast training dynamics, and a generalization analysis to demonstrate its smaller generalization gap on LB training. Comprehensive experiments demonstrate that VRGD can accelerate training (1sim 2 times), narrow generalization gap and improve final accuracy. We push the batch size limit of BERT pretraining up to 128k/64k and DLRM to 512k without noticeable accuracy loss. We improve ImageNet Top-1 accuracy at 96k by 0.52pp than LARS. The generalization gap of BERT and ImageNet training is significantly reduce by over 65%.

Fully quantized training (FQT) accelerates the training of deep neural networks by quantizing the activations, weights, and gradients into lower precision. To explore the ultimate limit of FQT (the lowest achievable precision), we make a first attempt to 1-bit FQT. We provide a theoretical analysis of FQT based on Adam and SGD, revealing that the gradient variance influences the convergence of FQT. Building on these theoretical results, we introduce an Activation Gradient Pruning (AGP) strategy. The strategy leverages the heterogeneity of gradients by pruning less informative gradients and enhancing the numerical precision of remaining gradients to mitigate gradient variance. Additionally, we propose Sample Channel joint Quantization (SCQ), which utilizes different quantization strategies in the computation of weight gradients and activation gradients to ensure that the method is friendly to low-bitwidth hardware. Finally, we present a framework to deploy our algorithm. For fine-tuning VGGNet-16 and ResNet-18 on multiple datasets, our algorithm achieves an average accuracy improvement of approximately 6%, compared to per-sample quantization. Moreover, our training speedup can reach a maximum of 5.13x compared to full precision training.

The choice of batch sizes in stochastic gradient optimizers is critical for model training. However, the practice of varying batch sizes throughout the training process is less explored compared to other hyperparameters. We investigate adaptive batch size strategies derived from adaptive sampling methods, traditionally applied only in stochastic gradient descent. Given the significant interplay between learning rates and batch sizes, and considering the prevalence of adaptive gradient methods in deep learning, we emphasize the need for adaptive batch size strategies in these contexts. We introduce AdAdaGrad and its scalar variant AdAdaGradNorm, which incrementally increase batch sizes during training, while model updates are performed using AdaGrad and AdaGradNorm. We prove that AdaGradNorm converges with high probability at a rate of O(1/K) for finding a first-order stationary point of smooth nonconvex functions within K iterations. AdaGrad also demonstrates similar convergence properties when integrated with a novel coordinate-wise variant of our adaptive batch size strategies. Our theoretical claims are supported by numerical experiments on various image classification tasks, highlighting the enhanced adaptability of progressive batching protocols in deep learning and the potential of such adaptive batch size strategies with adaptive gradient optimizers in large-scale model training.

Low-rank optimization has emerged as a promising direction in training large language models (LLMs) to reduce the memory usage of adaptive optimizers by constraining learning to a lower-dimensional space. Prior work typically projects gradients of linear layers using approaches based on Singular Value Decomposition (SVD). However, applying SVD-based procedures individually to each layer in large models is computationally expensive and incurs additional memory costs due to storing the projection matrices. In this work, we propose a computationally efficient and conceptually simple two-step procedure to approximate SVD-based gradient projections into lower-dimensional spaces. First, we construct a complete orthogonal basis using predefined orthogonal matrices of the Discrete Cosine Transform (DCT). Second, we adaptively select basis columns based on their alignment with the gradient of each layer. Each projection matrix in our method is obtained via a single matrix multiplication followed by a lightweight sorting step to identify the most relevant basis vectors. Due to the predefined nature of the orthogonal bases, they are computed once at the start of training. During training, we store only the indices of the selected columns, avoiding the need to store full projection matrices for each layer. Our numerical experiments on both pre-training and fine-tuning tasks demonstrate the effectiveness of our dual strategy in approximating optimal low-rank projections, matching the performance of costly SVD-based methods while achieving faster runtime and reduced memory usage.

We propose progressive radiance distillation, an inverse rendering method that combines physically-based rendering with Gaussian-based radiance field rendering using a distillation progress map. Taking multi-view images as input, our method starts from a pre-trained radiance field guidance, and distills physically-based light and material parameters from the radiance field using an image-fitting process. The distillation progress map is initialized to a small value, which favors radiance field rendering. During early iterations when fitted light and material parameters are far from convergence, the radiance field fallback ensures the sanity of image loss gradients and avoids local minima that attracts under-fit states. As fitted parameters converge, the physical model gradually takes over and the distillation progress increases correspondingly. In presence of light paths unmodeled by the physical model, the distillation progress never finishes on affected pixels and the learned radiance field stays in the final rendering. With this designed tolerance for physical model limitations, we prevent unmodeled color components from leaking into light and material parameters, alleviating relighting artifacts. Meanwhile, the remaining radiance field compensates for the limitations of the physical model, guaranteeing high-quality novel views synthesis. Experimental results demonstrate that our method significantly outperforms state-of-the-art techniques quality-wise in both novel view synthesis and relighting. The idea of progressive radiance distillation is not limited to Gaussian splatting. We show that it also has positive effects for prominently specular scenes when adapted to a mesh-based inverse rendering method.

Standard training metrics like loss fail to explain the emergence of complex capabilities in large language models. We take a spectral approach to investigate the geometry of learned representations across pretraining and post-training, measuring effective rank (RankMe) and eigenspectrum decay (α-ReQ). With OLMo (1B-7B) and Pythia (160M-12B) models, we uncover a consistent non-monotonic sequence of three geometric phases during autoregressive pretraining. The initial "warmup" phase exhibits rapid representational collapse. This is followed by an "entropy-seeking" phase, where the manifold's dimensionality expands substantially, coinciding with peak n-gram memorization. Subsequently, a "compression-seeking" phase imposes anisotropic consolidation, selectively preserving variance along dominant eigendirections while contracting others, a transition marked with significant improvement in downstream task performance. We show these phases can emerge from a fundamental interplay of cross-entropy optimization under skewed token frequencies and representational bottlenecks (d ll |V|). Post-training further transforms geometry: SFT and DPO drive "entropy-seeking" dynamics to integrate specific instructional or preferential data, improving in-distribution performance while degrading out-of-distribution robustness. Conversely, RLVR induces "compression-seeking", enhancing reward alignment but reducing generation diversity.

Training a large and state-of-the-art machine learning model typically necessitates the use of large-scale datasets, which, in turn, makes the training and parameter-tuning process expensive and time-consuming. Some researchers opt to distil information from real-world datasets into tiny and compact synthetic datasets while maintaining their ability to train a well-performing model, hence proposing a data-efficient method known as Dataset Distillation (DD). Despite recent progress in this field, existing methods still underperform and cannot effectively replace large datasets. In this paper, unlike previous methods that focus solely on improving the efficacy of student distillation, we are the first to recognize the important interplay between expert and student. We argue the significant impact of expert smoothness when employing more potent expert trajectories in subsequent dataset distillation. Based on this, we introduce the integration of clipping loss and gradient penalty to regulate the rate of parameter changes in expert trajectories. Furthermore, in response to the sensitivity exhibited towards randomly initialized variables during distillation, we propose representative initialization for synthetic dataset and balanced inner-loop loss. Finally, we present two enhancement strategies, namely intermediate matching loss and weight perturbation, to mitigate the potential occurrence of cumulative errors. We conduct extensive experiments on datasets of different scales, sizes, and resolutions. The results demonstrate that the proposed method significantly outperforms prior methods.

Entropy and mutual information in neural networks provide rich information on the learning process, but they have proven difficult to compute reliably in high dimensions. Indeed, in noisy and high-dimensional data, traditional estimates in ambient dimensions approach a fixed entropy and are prohibitively hard to compute. To address these issues, we leverage data geometry to access the underlying manifold and reliably compute these information-theoretic measures. Specifically, we define diffusion spectral entropy (DSE) in neural representations of a dataset as well as diffusion spectral mutual information (DSMI) between different variables representing data. First, we show that they form noise-resistant measures of intrinsic dimensionality and relationship strength in high-dimensional simulated data that outperform classic Shannon entropy, nonparametric estimation, and mutual information neural estimation (MINE). We then study the evolution of representations in classification networks with supervised learning, self-supervision, or overfitting. We observe that (1) DSE of neural representations increases during training; (2) DSMI with the class label increases during generalizable learning but stays stagnant during overfitting; (3) DSMI with the input signal shows differing trends: on MNIST it increases, while on CIFAR-10 and STL-10 it decreases. Finally, we show that DSE can be used to guide better network initialization and that DSMI can be used to predict downstream classification accuracy across 962 models on ImageNet. The official implementation is available at https://github.com/ChenLiu-1996/DiffusionSpectralEntropy.

We present EGN, a stochastic second-order optimization algorithm that combines the generalized Gauss-Newton (GN) Hessian approximation with low-rank linear algebra to compute the descent direction. Leveraging the Duncan-Guttman matrix identity, the parameter update is obtained by factorizing a matrix which has the size of the mini-batch. This is particularly advantageous for large-scale machine learning problems where the dimension of the neural network parameter vector is several orders of magnitude larger than the batch size. Additionally, we show how improvements such as line search, adaptive regularization, and momentum can be seamlessly added to EGN to further accelerate the algorithm. Moreover, under mild assumptions, we prove that our algorithm converges to an epsilon-stationary point at a linear rate. Finally, our numerical experiments demonstrate that EGN consistently exceeds, or at most matches the generalization performance of well-tuned SGD, Adam, and SGN optimizers across various supervised and reinforcement learning tasks.

Hyperspectral images (HSIs) often suffer from diverse and unknown degradations during imaging, leading to severe spectral and spatial distortions. Existing HSI restoration methods typically rely on specific degradation assumptions, limiting their effectiveness in complex scenarios. In this paper, we propose MP-HSIR, a novel multi-prompt framework that effectively integrates spectral, textual, and visual prompts to achieve universal HSI restoration across diverse degradation types and intensities. Specifically, we develop a prompt-guided spatial-spectral transformer, which incorporates spatial self-attention and a prompt-guided dual-branch spectral self-attention. Since degradations affect spectral features differently, we introduce spectral prompts in the local spectral branch to provide universal low-rank spectral patterns as prior knowledge for enhancing spectral reconstruction. Furthermore, the text-visual synergistic prompt fuses high-level semantic representations with fine-grained visual features to encode degradation information, thereby guiding the restoration process. Extensive experiments on 9 HSI restoration tasks, including all-in-one scenarios, generalization tests, and real-world cases, demonstrate that MP-HSIR not only consistently outperforms existing all-in-one methods but also surpasses state-of-the-art task-specific approaches across multiple tasks. The code and models will be released at https://github.com/ZhehuiWu/MP-HSIR.

Optimization and generalization are two essential aspects of statistical machine learning. In this paper, we propose a framework to connect optimization with generalization by analyzing the generalization error based on the optimization trajectory under the gradient flow algorithm. The key ingredient of this framework is the Uniform-LGI, a property that is generally satisfied when training machine learning models. Leveraging the Uniform-LGI, we first derive convergence rates for gradient flow algorithm, then we give generalization bounds for a large class of machine learning models. We further apply our framework to three distinct machine learning models: linear regression, kernel regression, and two-layer neural networks. Through our approach, we obtain generalization estimates that match or extend previous results.

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

Momentum based optimizers are central to a wide range of machine learning applications. These typically rely on an Exponential Moving Average (EMA) of gradients, which decays exponentially the present contribution of older gradients. This accounts for gradients being local linear approximations which lose their relevance as the iterate moves along the loss landscape. This work questions the use of a single EMA to accumulate past gradients and empirically demonstrates how this choice can be sub-optimal: a single EMA cannot simultaneously give a high weight to the immediate past, and a non-negligible weight to older gradients. Building on this observation, we propose AdEMAMix, a simple modification of the Adam optimizer with a mixture of two EMAs to better take advantage of past gradients. Our experiments on language modeling and image classification show -- quite surprisingly -- that gradients can stay relevant for tens of thousands of steps. They help to converge faster, and often to lower minima: e.g., a 1.3B parameter AdEMAMix LLM trained on 101B tokens performs comparably to an AdamW model trained on 197B tokens (+95%). Moreover, our method significantly slows-down model forgetting during training. Our work motivates further exploration of different types of functions to leverage past gradients, beyond EMAs.

Gradient clipping is a popular modification to standard (stochastic) gradient descent, at every iteration limiting the gradient norm to a certain value c >0. It is widely used for example for stabilizing the training of deep learning models (Goodfellow et al., 2016), or for enforcing differential privacy (Abadi et al., 2016). Despite popularity and simplicity of the clipping mechanism, its convergence guarantees often require specific values of c and strong noise assumptions. In this paper, we give convergence guarantees that show precise dependence on arbitrary clipping thresholds c and show that our guarantees are tight with both deterministic and stochastic gradients. In particular, we show that (i) for deterministic gradient descent, the clipping threshold only affects the higher-order terms of convergence, (ii) in the stochastic setting convergence to the true optimum cannot be guaranteed under the standard noise assumption, even under arbitrary small step-sizes. We give matching upper and lower bounds for convergence of the gradient norm when running clipped SGD, and illustrate these results with experiments.

We derive a simple and model-independent formula for the change in the generalization gap due to a gradient descent update. We then compare the change in the test error for stochastic gradient descent to the change in test error from an equivalent number of gradient descent updates and show explicitly that stochastic gradient descent acts to regularize generalization error by decorrelating nearby updates. These calculations depends on the details of the model only through the mean and covariance of the gradient distribution, which may be readily measured for particular models of interest. We discuss further improvements to these calculations and comment on possible implications for stochastic optimization.

Graph coarsening is a technique for solving large-scale graph problems by working on a smaller version of the original graph, and possibly interpolating the results back to the original graph. It has a long history in scientific computing and has recently gained popularity in machine learning, particularly in methods that preserve the graph spectrum. This work studies graph coarsening from a different perspective, developing a theory for preserving graph distances and proposing a method to achieve this. The geometric approach is useful when working with a collection of graphs, such as in graph classification and regression. In this study, we consider a graph as an element on a metric space equipped with the Gromov--Wasserstein (GW) distance, and bound the difference between the distance of two graphs and their coarsened versions. Minimizing this difference can be done using the popular weighted kernel K-means method, which improves existing spectrum-preserving methods with the proper choice of the kernel. The study includes a set of experiments to support the theory and method, including approximating the GW distance, preserving the graph spectrum, classifying graphs using spectral information, and performing regression using graph convolutional networks. Code is available at https://github.com/ychen-stat-ml/GW-Graph-Coarsening .

In this paper, we present a Hybrid Spectral Denoising Transformer (HSDT) for hyperspectral image denoising. Challenges in adapting transformer for HSI arise from the capabilities to tackle existing limitations of CNN-based methods in capturing the global and local spatial-spectral correlations while maintaining efficiency and flexibility. To address these issues, we introduce a hybrid approach that combines the advantages of both models with a Spatial-Spectral Separable Convolution (S3Conv), Guided Spectral Self-Attention (GSSA), and Self-Modulated Feed-Forward Network (SM-FFN). Our S3Conv works as a lightweight alternative to 3D convolution, which extracts more spatial-spectral correlated features while keeping the flexibility to tackle HSIs with an arbitrary number of bands. These features are then adaptively processed by GSSA which per-forms 3D self-attention across the spectral bands, guided by a set of learnable queries that encode the spectral signatures. This not only enriches our model with powerful capabilities for identifying global spectral correlations but also maintains linear complexity. Moreover, our SM-FFN proposes the self-modulation that intensifies the activations of more informative regions, which further strengthens the aggregated features. Extensive experiments are conducted on various datasets under both simulated and real-world noise, and it shows that our HSDT significantly outperforms the existing state-of-the-art methods while maintaining low computational overhead. Code is at https: //github.com/Zeqiang-Lai/HSDT.

We present new algorithms for optimizing non-smooth, non-convex stochastic objectives based on a novel analysis technique. This improves the current best-known complexity for finding a (delta,epsilon)-stationary point from O(epsilon^{-4}delta^{-1}) stochastic gradient queries to O(epsilon^{-3}delta^{-1}), which we also show to be optimal. Our primary technique is a reduction from non-smooth non-convex optimization to online learning, after which our results follow from standard regret bounds in online learning. For deterministic and second-order smooth objectives, applying more advanced optimistic online learning techniques enables a new complexity of O(epsilon^{-1.5}delta^{-0.5}). Our techniques also recover all optimal or best-known results for finding epsilon stationary points of smooth or second-order smooth objectives in both stochastic and deterministic settings.

In this article, we introduce a novel normalization technique for neural network weight matrices, which we term weight conditioning. This approach aims to narrow the gap between the smallest and largest singular values of the weight matrices, resulting in better-conditioned matrices. The inspiration for this technique partially derives from numerical linear algebra, where well-conditioned matrices are known to facilitate stronger convergence results for iterative solvers. We provide a theoretical foundation demonstrating that our normalization technique smoothens the loss landscape, thereby enhancing convergence of stochastic gradient descent algorithms. Empirically, we validate our normalization across various neural network architectures, including Convolutional Neural Networks (CNNs), Vision Transformers (ViT), Neural Radiance Fields (NeRF), and 3D shape modeling. Our findings indicate that our normalization method is not only competitive but also outperforms existing weight normalization techniques from the literature.

Second-order training methods have better convergence properties than gradient descent but are rarely used in practice for large-scale training due to their computational overhead. This can be viewed as a hardware limitation (imposed by digital computers). Here we show that natural gradient descent (NGD), a second-order method, can have a similar computational complexity per iteration to a first-order method, when employing appropriate hardware. We present a new hybrid digital-analog algorithm for training neural networks that is equivalent to NGD in a certain parameter regime but avoids prohibitively costly linear system solves. Our algorithm exploits the thermodynamic properties of an analog system at equilibrium, and hence requires an analog thermodynamic computer. The training occurs in a hybrid digital-analog loop, where the gradient and Fisher information matrix (or any other positive semi-definite curvature matrix) are calculated at given time intervals while the analog dynamics take place. We numerically demonstrate the superiority of this approach over state-of-the-art digital first- and second-order training methods on classification tasks and language model fine-tuning tasks.

We consider a family of algorithms that successively sample and minimize simple stochastic models of the objective function. We show that under reasonable conditions on approximation quality and regularity of the models, any such algorithm drives a natural stationarity measure to zero at the rate O(k^{-1/4}). As a consequence, we obtain the first complexity guarantees for the stochastic proximal point, proximal subgradient, and regularized Gauss-Newton methods for minimizing compositions of convex functions with smooth maps. The guiding principle, underlying the complexity guarantees, is that all algorithms under consideration can be interpreted as approximate descent methods on an implicit smoothing of the problem, given by the Moreau envelope. Specializing to classical circumstances, we obtain the long-sought convergence rate of the stochastic projected gradient method, without batching, for minimizing a smooth function on a closed convex set.

Dataset distillation or condensation aims to generate a smaller but representative subset from a large dataset, which allows a model to be trained more efficiently, meanwhile evaluating on the original testing data distribution to achieve decent performance. Previous decoupled methods like SRe^2L simply use a unified gradient update scheme for synthesizing data from Gaussian noise, while, we notice that the initial several update iterations will determine the final outline of synthesis, thus an improper gradient update strategy may dramatically affect the final generation quality. To address this, we introduce a simple yet effective global-to-local gradient refinement approach enabled by curriculum data augmentation (CDA) during data synthesis. The proposed framework achieves the current published highest accuracy on both large-scale ImageNet-1K and 21K with 63.2% under IPC (Images Per Class) 50 and 36.1% under IPC 20, using a regular input resolution of 224times224 with faster convergence speed and less synthetic time. The proposed model outperforms the current state-of-the-art methods like SRe^2L, TESLA, and MTT by more than 4% Top-1 accuracy on ImageNet-1K/21K and for the first time, reduces the gap to its full-data training counterparts to less than absolute 15%. Moreover, this work represents the inaugural success in dataset distillation on the larger-scale ImageNet-21K dataset under the standard 224times224 resolution. Our code and distilled ImageNet-21K dataset of 20 IPC, 2K recovery budget are available at https://github.com/VILA-Lab/SRe2L/tree/main/CDA.

Gradient descent has proven to be a powerful and effective technique for optimization in numerous machine learning applications. Recent advances in computational neuroscience have shown that learning in standard gradient descent optimization formulation is not consistent with learning in biological systems. This has opened up interesting avenues for building biologically inspired learning techniques. One such approach is inspired by Dale's law, which states that inhibitory and excitatory synapses do not swap roles during the course of learning. The resulting exponential gradient descent optimization scheme leads to log-normally distributed synaptic weights. Interestingly, the density that satisfies the Fokker-Planck equation corresponding to the stochastic differential equation (SDE) with geometric Brownian motion (GBM) is the log-normal density. Leveraging this connection, we start with the SDE governing geometric Brownian motion, and show that discretizing the corresponding reverse-time SDE yields a multiplicative update rule, which surprisingly, coincides with the sampling equivalent of the exponential gradient descent update founded on Dale's law. Furthermore, we propose a new formalism for multiplicative denoising score-matching, subsuming the loss function proposed by Hyvaerinen for non-negative data. Indeed, log-normally distributed data is positive and the proposed score-matching formalism turns out to be a natural fit. This allows for training of score-based models for image data and results in a novel multiplicative update scheme for sample generation starting from a log-normal density. Experimental results on MNIST, Fashion MNIST, and Kuzushiji datasets demonstrate generative capability of the new scheme. To the best of our knowledge, this is the first instance of a biologically inspired generative model employing multiplicative updates, founded on geometric Brownian motion.

Hyperspectral image denoising is unique for the highly similar and correlated spectral information that should be properly considered. However, existing methods show limitations in exploring the spectral correlations across different bands and feature interactions within each band. Besides, the low- and high-level features usually exhibit different importance for different spatial-spectral regions, which is not fully explored for current algorithms as well. In this paper, we present a Mixed Attention Network (MAN) that simultaneously considers the inter- and intra-spectral correlations as well as the interactions between low- and high-level spatial-spectral meaningful features. Specifically, we introduce a multi-head recurrent spectral attention that efficiently integrates the inter-spectral features across all the spectral bands. These features are further enhanced with a progressive spectral channel attention by exploring the intra-spectral relationships. Moreover, we propose an attentive skip-connection that adaptively controls the proportion of the low- and high-level spatial-spectral features from the encoder and decoder to better enhance the aggregated features. Extensive experiments show that our MAN outperforms existing state-of-the-art methods on simulated and real noise settings while maintaining a low cost of parameters and running time.

Disease progression simulation is a crucial area of research that has significant implications for clinical diagnosis, prognosis, and treatment. One major challenge in this field is the lack of continuous medical imaging monitoring of individual patients over time. To address this issue, we develop a novel framework termed Progressive Image Editing (PIE) that enables controlled manipulation of disease-related image features, facilitating precise and realistic disease progression simulation. Specifically, we leverage recent advancements in text-to-image generative models to simulate disease progression accurately and personalize it for each patient. We theoretically analyze the iterative refining process in our framework as a gradient descent with an exponentially decayed learning rate. To validate our framework, we conduct experiments in three medical imaging domains. Our results demonstrate the superiority of PIE over existing methods such as Stable Diffusion Walk and Style-Based Manifold Extrapolation based on CLIP score (Realism) and Disease Classification Confidence (Alignment). Our user study collected feedback from 35 veteran physicians to assess the generated progressions. Remarkably, 76.2% of the feedback agrees with the fidelity of the generated progressions. To our best knowledge, PIE is the first of its kind to generate disease progression images meeting real-world standards. It is a promising tool for medical research and clinical practice, potentially allowing healthcare providers to model disease trajectories over time, predict future treatment responses, and improve patient outcomes.

Traditional saliency map methods, popularized in computer vision, highlight individual points (pixels) of the input that contribute the most to the model's output. However, in time-series they offer limited insights as semantically meaningful features are often found in other domains. We introduce Cross-domain Integrated Gradients, a generalization of Integrated Gradients. Our method enables feature attributions on any domain that can be formulated as an invertible, differentiable transformation of the time domain. Crucially, our derivation extends the original Integrated Gradients into the complex domain, enabling frequency-based attributions. We provide the necessary theoretical guarantees, namely, path independence and completeness. Our approach reveals interpretable, problem-specific attributions that time-domain methods cannot capture, on three real-world tasks: wearable sensor heart rate extraction, electroencephalography-based seizure detection, and zero-shot time-series forecasting. We release an open-source Tensorflow/PyTorch library to enable plug-and-play cross-domain explainability for time-series models. These results demonstrate the ability of cross-domain integrated gradients to provide semantically meaningful insights in time-series models that are impossible with traditional time-domain saliency.

The remarkable capabilities of pretrained image diffusion models have been utilized not only for generating fixed-size images but also for creating panoramas. However, naive stitching of multiple images often results in visible seams. Recent techniques have attempted to address this issue by performing joint diffusions in multiple windows and averaging latent features in overlapping regions. However, these approaches, which focus on seamless montage generation, often yield incoherent outputs by blending different scenes within a single image. To overcome this limitation, we propose SyncDiffusion, a plug-and-play module that synchronizes multiple diffusions through gradient descent from a perceptual similarity loss. Specifically, we compute the gradient of the perceptual loss using the predicted denoised images at each denoising step, providing meaningful guidance for achieving coherent montages. Our experimental results demonstrate that our method produces significantly more coherent outputs compared to previous methods (66.35% vs. 33.65% in our user study) while still maintaining fidelity (as assessed by GIQA) and compatibility with the input prompt (as measured by CLIP score).

Computing the matrix square root or its inverse in a differentiable manner is important in a variety of computer vision tasks. Previous methods either adopt the Singular Value Decomposition (SVD) to explicitly factorize the matrix or use the Newton-Schulz iteration (NS iteration) to derive the approximate solution. However, both methods are not computationally efficient enough in either the forward pass or in the backward pass. In this paper, we propose two more efficient variants to compute the differentiable matrix square root. For the forward propagation, one method is to use Matrix Taylor Polynomial (MTP), and the other method is to use Matrix Pad\'e Approximants (MPA). The backward gradient is computed by iteratively solving the continuous-time Lyapunov equation using the matrix sign function. Both methods yield considerable speed-up compared with the SVD or the Newton-Schulz iteration. Experimental results on the de-correlated batch normalization and second-order vision transformer demonstrate that our methods can also achieve competitive and even slightly better performances. The code is available at https://github.com/KingJamesSong/FastDifferentiableMatSqrt{https://github.com/KingJamesSong/FastDifferentiableMatSqrt}.

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

Diffusion models have shown remarkable performance in image synthesis, but they demand extensive computational and memory resources for training, fine-tuning and inference. Although advanced quantization techniques have successfully minimized memory usage for inference, training and fine-tuning these quantized models still require large memory possibly due to dequantization for accurate computation of gradients and/or backpropagation for gradient-based algorithms. However, memory-efficient fine-tuning is particularly desirable for applications such as personalization that often must be run on edge devices like mobile phones with private data. In this work, we address this challenge by quantizing a diffusion model with personalization via Textual Inversion and by leveraging a zeroth-order optimization on personalization tokens without dequantization so that it does not require gradient and activation storage for backpropagation that consumes considerable memory. Since a gradient estimation using zeroth-order optimization is quite noisy for a single or a few images in personalization, we propose to denoise the estimated gradient by projecting it onto a subspace that is constructed with the past history of the tokens, dubbed Subspace Gradient. In addition, we investigated the influence of text embedding in image generation, leading to our proposed time steps sampling, dubbed Partial Uniform Timestep Sampling for sampling with effective diffusion timesteps. Our method achieves comparable performance to prior methods in image and text alignment scores for personalizing Stable Diffusion with only forward passes while reducing training memory demand up to 8.2times.

Nonconvex optimization is central in solving many machine learning problems, in which block-wise structure is commonly encountered. In this work, we propose cyclic block coordinate methods for nonconvex optimization problems with non-asymptotic gradient norm guarantees. Our convergence analysis is based on a gradient Lipschitz condition with respect to a Mahalanobis norm, inspired by a recent progress on cyclic block coordinate methods. In deterministic settings, our convergence guarantee matches the guarantee of (full-gradient) gradient descent, but with the gradient Lipschitz constant being defined w.r.t.~a Mahalanobis norm. In stochastic settings, we use recursive variance reduction to decrease the per-iteration cost and match the arithmetic operation complexity of current optimal stochastic full-gradient methods, with a unified analysis for both finite-sum and infinite-sum cases. We prove a faster linear convergence result when a Polyak-{\L}ojasiewicz (P{\L}) condition holds. To our knowledge, this work is the first to provide non-asymptotic convergence guarantees -- variance-reduced or not -- for a cyclic block coordinate method in general composite (smooth + nonsmooth) nonconvex settings. Our experimental results demonstrate the efficacy of the proposed cyclic scheme in training deep neural nets.

The blooming of social media and face recognition (FR) systems has increased people's concern about privacy and security. A new type of adversarial privacy cloak (class-universal) can be applied to all the images of regular users, to prevent malicious FR systems from acquiring their identity information. In this work, we discover the optimization dilemma in the existing methods -- the local optima problem in large-batch optimization and the gradient information elimination problem in small-batch optimization. To solve these problems, we propose Gradient Accumulation (GA) to aggregate multiple small-batch gradients into a one-step iterative gradient to enhance the gradient stability and reduce the usage of quantization operations. Experiments show that our proposed method achieves high performance on the Privacy-Commons dataset against black-box face recognition models.

While deep learning and deep reinforcement learning (RL) systems have demonstrated impressive results in domains such as image classification, game playing, and robotic control, data efficiency remains a major challenge. Multi-task learning has emerged as a promising approach for sharing structure across multiple tasks to enable more efficient learning. However, the multi-task setting presents a number of optimization challenges, making it difficult to realize large efficiency gains compared to learning tasks independently. The reasons why multi-task learning is so challenging compared to single-task learning are not fully understood. In this work, we identify a set of three conditions of the multi-task optimization landscape that cause detrimental gradient interference, and develop a simple yet general approach for avoiding such interference between task gradients. We propose a form of gradient surgery that projects a task's gradient onto the normal plane of the gradient of any other task that has a conflicting gradient. On a series of challenging multi-task supervised and multi-task RL problems, this approach leads to substantial gains in efficiency and performance. Further, it is model-agnostic and can be combined with previously-proposed multi-task architectures for enhanced performance.

This paper studies generalization capabilities of neural networks (NNs) using new and improved PyTorch library Loss Landscape Analysis (LLA). LLA facilitates visualization and analysis of loss landscapes along with the properties of NN Hessian. Different approaches to NN loss landscape plotting are discussed with particular focus on normalization techniques showing that conventional methods cannot always ensure correct visualization when batch normalization layers are present in NN architecture. The use of Hessian axes is shown to be able to mitigate this effect, and methods for choosing Hessian axes are proposed. In addition, spectra of Hessian eigendecomposition are studied and it is shown that typical spectra exist for a wide range of NNs. This allows to propose quantitative criteria for Hessian analysis that can be applied to evaluate NN performance and assess its generalization capabilities. Generalization experiments are conducted using ImageNet-1K pre-trained models along with several models trained as part of this study. The experiment include training models on one dataset and testing on another one to maximize experiment similarity to model performance in the Wild. It is shown that when datasets change, the changes in criteria correlate with the changes in accuracy, making the proposed criteria a computationally efficient estimate of generalization ability, which is especially useful for extremely large datasets.

This paper studies sequence modeling for prediction tasks with long range dependencies. We propose a new formulation for state space models (SSMs) based on learning linear dynamical systems with the spectral filtering algorithm (Hazan et al. (2017)). This gives rise to a novel sequence prediction architecture we call a spectral state space model. Spectral state space models have two primary advantages. First, they have provable robustness properties as their performance depends on neither the spectrum of the underlying dynamics nor the dimensionality of the problem. Second, these models are constructed with fixed convolutional filters that do not require learning while still outperforming SSMs in both theory and practice. The resulting models are evaluated on synthetic dynamical systems and long-range prediction tasks of various modalities. These evaluations support the theoretical benefits of spectral filtering for tasks requiring very long range memory.

We present a class of novel optimisers for training neural networks that makes use of the Riemannian metric naturally induced when the loss landscape is embedded in higher-dimensional space. This is the same metric that underlies common visualisations of loss landscapes. By taking this geometric perspective literally and using the induced metric, we develop a new optimiser and compare it to existing methods, namely: SGD, Adam, AdamW, and Muon, across a range of tasks and architectures. Empirically, we conclude that this new class of optimisers is highly effective in low dimensional examples, and provides slight improvement over state-of-the-art methods for training neural networks. These new optimisers have theoretically desirable properties. In particular, the effective learning rate is automatically decreased in regions of high curvature acting as a smoothed out form of gradient clipping. Similarly, one variant of these optimisers can also be viewed as inducing an effective scheduled learning rate and decoupled weight decay is the natural choice from our geometric perspective. The basic method can be used to modify any existing preconditioning method. The new optimiser has a computational complexity comparable to that of Adam.