Daily Papers

We explore a new class of diffusion models based on the transformer architecture. We train latent diffusion models of images, replacing the commonly-used U-Net backbone with a transformer that operates on latent patches. We analyze the scalability of our Diffusion Transformers (DiTs) through the lens of forward pass complexity as measured by Gflops. We find that DiTs with higher Gflops -- through increased transformer depth/width or increased number of input tokens -- consistently have lower FID. In addition to possessing good scalability properties, our largest DiT-XL/2 models outperform all prior diffusion models on the class-conditional ImageNet 512x512 and 256x256 benchmarks, achieving a state-of-the-art FID of 2.27 on the latter.

Implicit Neural Representation (INR) has emerged as a powerful tool for encoding discrete signals into continuous, differentiable functions using neural networks. However, these models often have an unfortunate reliance on monolithic architectures to represent high-dimensional data, leading to prohibitive computational costs as dimensionality grows. We propose F-INR, a framework that reformulates INR learning through functional tensor decomposition, breaking down high-dimensional tasks into lightweight, axis-specific sub-networks. Each sub-network learns a low-dimensional data component (e.g., spatial or temporal). Then, we combine these components via tensor operations, reducing forward pass complexity while improving accuracy through specialized learning. F-INR is modular and, therefore, architecture-agnostic, compatible with MLPs, SIREN, WIRE, or other state-of-the-art INR architecture. It is also decomposition-agnostic, supporting CP, TT, and Tucker modes with user-defined rank for speed-accuracy control. In our experiments, F-INR trains 100times faster than existing approaches on video tasks while achieving higher fidelity (+3.4 dB PSNR). Similar gains hold for image compression, physics simulations, and 3D geometry reconstruction. Through this, F-INR offers a new scalable, flexible solution for high-dimensional signal modeling.

This paper presents a new exploration into a category of diffusion models built upon state space architecture. We endeavor to train diffusion models for image data, wherein the traditional U-Net backbone is supplanted by a state space backbone, functioning on raw patches or latent space. Given its notable efficacy in accommodating long-range dependencies, Diffusion State Space Models (DiS) are distinguished by treating all inputs including time, condition, and noisy image patches as tokens. Our assessment of DiS encompasses both unconditional and class-conditional image generation scenarios, revealing that DiS exhibits comparable, if not superior, performance to CNN-based or Transformer-based U-Net architectures of commensurate size. Furthermore, we analyze the scalability of DiS, gauged by the forward pass complexity quantified in Gflops. DiS models with higher Gflops, achieved through augmentation of depth/width or augmentation of input tokens, consistently demonstrate lower FID. In addition to demonstrating commendable scalability characteristics, DiS-H/2 models in latent space achieve performance levels akin to prior diffusion models on class-conditional ImageNet benchmarks at the resolution of 256times256 and 512times512, while significantly reducing the computational burden. The code and models are available at: https://github.com/feizc/DiS.

According to Algorithmic Information Theory (AIT) -- Intelligent representations compress data into the shortest possible program that can reconstruct its content, exhibiting low Kolmogorov Complexity (KC). In contrast, most visual representation learning systems use fixed-length representations for all inputs, ignoring variations in complexity or familiarity. Recent adaptive tokenization methods address this by allocating variable-length representations but typically require test-time search over multiple encodings to find the most predictive one. Inspired by Kolmogorov Complexity principles, we propose a single-pass adaptive tokenizer, KARL, which predicts the appropriate number of tokens for an image in a single forward pass, halting once its approximate KC is reached. The token count serves as a proxy for the minimum description length. KARL's training procedure closely resembles the Upside-Down Reinforcement Learning paradigm, as it learns to conditionally predict token halting based on a desired reconstruction quality. KARL matches the performance of recent adaptive tokenizers while operating in a single pass. We present scaling laws for KARL, analyzing the role of encoder/decoder size, continuous vs. discrete tokenization and more. Additionally, we offer a conceptual study drawing an analogy between Adaptive Image Tokenization and Algorithmic Information Theory, examining the predicted image complexity (KC) across axes such as structure vs. noise and in- vs. out-of-distribution familiarity -- revealing alignment with human intuition.

Backpropagation, which uses the chain rule, is the de-facto standard algorithm for optimizing neural networks nowadays. Recently, Hinton (2022) proposed the forward-forward algorithm, a promising alternative that optimizes neural nets layer-by-layer, without propagating gradients throughout the network. Although such an approach has several advantages over back-propagation and shows promising results, the fact that each layer is being trained independently limits the optimization process. Specifically, it prevents the network's layers from collaborating to learn complex and rich features. In this work, we study layer collaboration in the forward-forward algorithm. We show that the current version of the forward-forward algorithm is suboptimal when considering information flow in the network, resulting in a lack of collaboration between layers of the network. We propose an improved version that supports layer collaboration to better utilize the network structure, while not requiring any additional assumptions or computations. We empirically demonstrate the efficacy of the proposed version when considering both information flow and objective metrics. Additionally, we provide a theoretical motivation for the proposed method, inspired by functional entropy theory.

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

We propose a scalable Forward-Forward (FF) algorithm that eliminates the need for backpropagation by training each layer separately. Unlike backpropagation, FF avoids backward gradients and can be more modular and memory efficient, making it appealing for large networks. We extend FF to modern convolutional architectures, such as MobileNetV3 and ResNet18, by introducing a new way to compute losses for convolutional layers. Experiments show that our method achieves performance comparable to standard backpropagation. Furthermore, when we divide the network into blocks, such as the residual blocks in ResNet, and apply backpropagation only within each block, but not across blocks, our hybrid design tends to outperform backpropagation baselines while maintaining a similar training speed. Finally, we present experiments on small datasets and transfer learning that confirm the adaptability of our method.

The Backpropagation algorithm, widely used to train neural networks, has often been criticised for its lack of biological realism. In an attempt to find a more biologically plausible alternative, and avoid to back-propagate gradients in favour of using local learning rules, the recently introduced Forward-Forward algorithm replaces the traditional forward and backward passes of Backpropagation with two forward passes. In this work, we show that internal representations obtained with the Forward-Forward algorithm organize into robust, category-specific ensembles, composed by an extremely low number of active units (high sparsity). This is remarkably similar to what is observed in cortical representations during sensory processing. While not found in models trained with standard Backpropagation, sparsity emerges also in networks optimized by Backpropagation, on the same training objective of Forward-Forward. These results suggest that the learning procedure proposed by Forward-Forward may be superior to Backpropagation in modelling learning in the cortex, even when a backward pass is used.

Backpropagation provides a generalized configuration for overcoming catastrophic forgetting. Like, SGD and Adam are commonly used for weight updates in continual learning and continual pre-training. In practice, permission to access gradient information is not always granted (the gradient ban), such as black-box APIs, hardware limitations, and non-differentiable systems. To bridge this gap, we introduce the first benchmark ZeroFlow to evaluate gradient-free optimization algorithms for overcoming forgetting. This benchmark examines a suite of forward pass methods across multiple methods, forgetting scenarios, and datasets. We find that forward passes alone are enough to overcome forgetting. Our findings reveal new optimization principles that highlight the potential of forward-pass in mitigating forgetting, managing task conflicts, and reducing memory demands, alongside novel enhancements that further mitigate forgetting with just one forward pass. This work provides essential insights and tools for advancing forward pass methods to overcome forgetting.

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

We show that feedforward neural networks with ReLU activation generalize on low complexity data, suitably defined. Given i.i.d. data generated from a simple programming language, the minimum description length (MDL) feedforward neural network which interpolates the data generalizes with high probability. We define this simple programming language, along with a notion of description length of such networks. We provide several examples on basic computational tasks, such as checking primality of a natural number, and more. For primality testing, our theorem shows the following. Suppose that we draw an i.i.d. sample of Theta(N^{delta}ln N) numbers uniformly at random from 1 to N, where deltain (0,1). For each number x_i, let y_i = 1 if x_i is a prime and 0 if it is not. Then with high probability, the MDL network fitted to this data accurately answers whether a newly drawn number between 1 and N is a prime or not, with test error leq O(N^{-delta}). Note that the network is not designed to detect primes; minimum description learning discovers a network which does so.

We study the memorization power of feedforward ReLU neural networks. We show that such networks can memorize any N points that satisfy a mild separability assumption using Oleft(Nright) parameters. Known VC-dimension upper bounds imply that memorizing N samples requires Omega(N) parameters, and hence our construction is optimal up to logarithmic factors. We also give a generalized construction for networks with depth bounded by 1 leq L leq N, for memorizing N samples using O(N/L) parameters. This bound is also optimal up to logarithmic factors. Our construction uses weights with large bit complexity. We prove that having such a large bit complexity is both necessary and sufficient for memorization with a sub-linear number of parameters.

Zero-shot reinforcement learning (RL) promises to provide agents that can perform any task in an environment after an offline pre-training phase. Forward-backward (FB) representations represent remarkable progress towards this ideal, achieving 85% of the performance of task-specific agents in this setting. However, such performance is contingent on access to large and diverse datasets for pre-training, which cannot be expected for most real problems. Here, we explore how FB performance degrades when trained on small datasets that lack diversity, and mitigate it with conservatism, a well-established feature of performant offline RL algorithms. We evaluate our family of methods across various datasets, domains and tasks, reaching 150% of vanilla FB performance in aggregate. Somewhat surprisingly, conservative FB algorithms also outperform the task-specific baseline, despite lacking access to reward labels and being required to maintain policies for all tasks. Conservative FB algorithms perform no worse than FB on full datasets, and so present little downside over their predecessor. Our code is available open-source via https://enjeeneer.io/projects/conservative-world-models/.

As first-order optimization methods become the method of choice for solving large-scale optimization problems, optimization solvers based on first-order algorithms are being built. Such general-purpose solvers must robustly detect infeasible or misspecified problem instances, but the computational complexity of first-order methods for doing so has yet to be formally studied. In this work, we characterize the optimal accelerated rate of infeasibility detection. We show that the standard fixed-point iteration achieves a O(1/k^2) and O(1/k) rates, respectively, on the normalized iterates and the fixed-point residual converging to the infimal displacement vector, while the accelerated fixed-point iteration achieves O(1/k^2) and mathcal{O}(1/k^2) rates. We then provide a matching complexity lower bound to establish that Theta(1/k^2) is indeed the optimal accelerated rate.

In the context of distributed synchronous computing, processors perform in rounds, and the time-complexity of a distributed algorithm is classically defined as the number of rounds before all computing nodes have output. Hence, this complexity measure captures the running time of the slowest node(s). In this paper, we are interested in the running time of the ordinary nodes, to be compared with the running time of the slowest nodes. The node-averaged time-complexity of a distributed algorithm on a given instance is defined as the average, taken over every node of the instance, of the number of rounds before that node output. We compare the node-averaged time-complexity with the classical one in the standard LOCAL model for distributed network computing. We show that there can be an exponential gap between the node-averaged time-complexity and the classical time-complexity, as witnessed by, e.g., leader election. Our first main result is a positive one, stating that, in fact, the two time-complexities behave the same for a large class of problems on very sparse graphs. In particular, we show that, for LCL problems on cycles, the node-averaged time complexity is of the same order of magnitude as the slowest node time-complexity. In addition, in the LOCAL model, the time-complexity is computed as a worst case over all possible identity assignments to the nodes of the network. In this paper, we also investigate the ID-averaged time-complexity, when the number of rounds is averaged over all possible identity assignments. Our second main result is that the ID-averaged time-complexity is essentially the same as the expected time-complexity of randomized algorithms (where the expectation is taken over all possible random bits used by the nodes, and the number of rounds is measured for the worst-case identity assignment). Finally, we study the node-averaged ID-averaged time-complexity.

Recently, Visual Autoregressive (VAR) Models introduced a groundbreaking advancement in the field of image generation, offering a scalable approach through a coarse-to-fine "next-scale prediction" paradigm. However, the state-of-the-art algorithm of VAR models in [Tian, Jiang, Yuan, Peng and Wang, NeurIPS 2024] takes O(n^4) time, which is computationally inefficient. In this work, we analyze the computational limits and efficiency criteria of VAR Models through a fine-grained complexity lens. Our key contribution is identifying the conditions under which VAR computations can achieve sub-quadratic time complexity. Specifically, we establish a critical threshold for the norm of input matrices used in VAR attention mechanisms. Above this threshold, assuming the Strong Exponential Time Hypothesis (SETH) from fine-grained complexity theory, a sub-quartic time algorithm for VAR models is impossible. To substantiate our theoretical findings, we present efficient constructions leveraging low-rank approximations that align with the derived criteria. This work initiates the study of the computational efficiency of the VAR model from a theoretical perspective. Our technique will shed light on advancing scalable and efficient image generation in VAR frameworks.

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.

"Forward-only" algorithms, which train neural networks while avoiding a backward pass, have recently gained attention as a way of solving the biologically unrealistic aspects of backpropagation. Here, we first address compelling challenges related to the "forward-only" rules, which include reducing the performance gap with backpropagation and providing an analytical understanding of their dynamics. To this end, we show that the forward-only algorithm with top-down feedback is well-approximated by an "adaptive-feedback-alignment" algorithm, and we analytically track its performance during learning in a prototype high-dimensional setting. Then, we compare different versions of forward-only algorithms, focusing on the Forward-Forward and PEPITA frameworks, and we show that they share the same learning principles. Overall, our work unveils the connections between three key neuro-inspired learning rules, providing a link between "forward-only" algorithms, i.e., Forward-Forward and PEPITA, and an approximation of backpropagation, i.e., Feedback Alignment.

Parameter efficient finetuning methods like low-rank adaptation (LoRA) aim to reduce the computational costs of finetuning pretrained Language Models (LMs). Enabled by these low-rank settings, we propose an even more efficient optimization strategy: Fast Forward, a simple and effective approach to accelerate large segments of training. In a Fast Forward stage, we repeat the most recent optimizer step until the loss stops improving on a tiny validation set. By alternating between regular optimization steps and Fast Forward stages, Fast Forward provides up to an 87\% reduction in FLOPs and up to an 81\% reduction in train time over standard SGD with Adam. We validate Fast Forward by finetuning various models on different tasks and demonstrate that it speeds up training without compromising model performance. Additionally, we analyze when and how to apply Fast Forward.

Gradient-free/zeroth-order methods for black-box convex optimization have been extensively studied in the last decade with the main focus on oracle calls complexity. In this paper, besides the oracle complexity, we focus also on iteration complexity, and propose a generic approach that, based on optimal first-order methods, allows to obtain in a black-box fashion new zeroth-order algorithms for non-smooth convex optimization problems. Our approach not only leads to optimal oracle complexity, but also allows to obtain iteration complexity similar to first-order methods, which, in turn, allows to exploit parallel computations to accelerate the convergence of our algorithms. We also elaborate on extensions for stochastic optimization problems, saddle-point problems, and distributed optimization.

Feedforward computation, such as evaluating a neural network or sampling from an autoregressive model, is ubiquitous in machine learning. The sequential nature of feedforward computation, however, requires a strict order of execution and cannot be easily accelerated with parallel computing. To enable parallelization, we frame the task of feedforward computation as solving a system of nonlinear equations. We then propose to find the solution using a Jacobi or Gauss-Seidel fixed-point iteration method, as well as hybrid methods of both. Crucially, Jacobi updates operate independently on each equation and can be executed in parallel. Our method is guaranteed to give exactly the same values as the original feedforward computation with a reduced (or equal) number of parallelizable iterations, and hence reduced time given sufficient parallel computing power. Experimentally, we demonstrate the effectiveness of our approach in accelerating (i) backpropagation of RNNs, (ii) evaluation of DenseNets, and (iii) autoregressive sampling of MADE and PixelCNN++, with speedup factors between 2.1 and 26 under various settings.

Conventional diffusion models typically relies on a fixed forward process, which implicitly defines complex marginal distributions over latent variables. This can often complicate the reverse process' task in learning generative trajectories, and results in costly inference for diffusion models. To address these limitations, we introduce Neural Flow Diffusion Models (NFDM), a novel framework that enhances diffusion models by supporting a broader range of forward processes beyond the fixed linear Gaussian. We also propose a novel parameterization technique for learning the forward process. Our framework provides an end-to-end, simulation-free optimization objective, effectively minimizing a variational upper bound on the negative log-likelihood. Experimental results demonstrate NFDM's strong performance, evidenced by state-of-the-art likelihood estimation. Furthermore, we investigate NFDM's capacity for learning generative dynamics with specific characteristics, such as deterministic straight lines trajectories. This exploration underscores NFDM's versatility and its potential for a wide range of applications.

We consider decentralized optimization problems where one aims to minimize a sum of convex smooth objective functions distributed between nodes in the network. The links in the network can change from time to time. For the setting when the amount of changes is arbitrary, lower complexity bounds and corresponding optimal algorithms are known, and the consensus acceleration is not possible. However, in practice the magnitude of network changes may be limited. We derive lower communication complexity bounds for several regimes of velocity of networks changes. Moreover, we show how to obtain accelerated communication rates for a certain class of time-varying graphs using a specific consensus algorithm.

We study the representation complexity of model-based and model-free reinforcement learning (RL) in the context of circuit complexity. We prove theoretically that there exists a broad class of MDPs such that their underlying transition and reward functions can be represented by constant depth circuits with polynomial size, while the optimal Q-function suffers an exponential circuit complexity in constant-depth circuits. By drawing attention to the approximation errors and building connections to complexity theory, our theory provides unique insights into why model-based algorithms usually enjoy better sample complexity than model-free algorithms from a novel representation complexity perspective: in some cases, the ground-truth rule (model) of the environment is simple to represent, while other quantities, such as Q-function, appear complex. We empirically corroborate our theory by comparing the approximation error of the transition kernel, reward function, and optimal Q-function in various Mujoco environments, which demonstrates that the approximation errors of the transition kernel and reward function are consistently lower than those of the optimal Q-function. To the best of our knowledge, this work is the first to study the circuit complexity of RL, which also provides a rigorous framework for future research.

We propose the convergent graph solver (CGS), a deep learning method that learns iterative mappings to predict the properties of a graph system at its stationary state (fixed point) with guaranteed convergence. CGS systematically computes the fixed points of a target graph system and decodes them to estimate the stationary properties of the system without the prior knowledge of existing solvers or intermediate solutions. The forward propagation of CGS proceeds in three steps: (1) constructing the input dependent linear contracting iterative maps, (2) computing the fixed-points of the linear maps, and (3) decoding the fixed-points to estimate the properties. The contractivity of the constructed linear maps guarantees the existence and uniqueness of the fixed points following the Banach fixed point theorem. To train CGS efficiently, we also derive a tractable analytical expression for its gradient by leveraging the implicit function theorem. We evaluate the performance of CGS by applying it to various network-analytic and graph benchmark problems. The results indicate that CGS has competitive capabilities for predicting the stationary properties of graph systems, irrespective of whether the target systems are linear or non-linear. CGS also shows high performance for graph classification problems where the existence or the meaning of a fixed point is hard to be clearly defined, which highlights the potential of CGS as a general graph neural network architecture.

Scaling the size of language models to tens of billions of parameters has led to impressive performance on a wide range of tasks. At generation, these models are used auto-regressively, requiring a forward pass for each generated token, and thus reading the full set of parameters from memory. This memory access forms the primary bottleneck for generation and it worsens as the model size increases. Moreover, executing a forward pass for multiple tokens in parallel often takes nearly the same time as it does for just one token. These two observations lead to the development of speculative sampling, where a second smaller model is used to draft a few tokens, that are then validated or rejected using a single forward pass of the large model. Unfortunately, this method requires two models that share the same tokenizer and thus limits its adoption. As an alternative, we propose to use parallel decoding as a way to draft multiple tokens from a single model with no computational cost, nor the need for a second model. Our approach only requires an additional input token that marks the words that will be generated simultaneously. We show promising performance (up to 30% speed-up) while requiring only as few as O(d_{emb}) additional parameters.

While score-based generative models (SGMs) have achieved remarkable success in enormous image generation tasks, their mathematical foundations are still limited. In this paper, we analyze the approximation and generalization of SGMs in learning a family of sub-Gaussian probability distributions. We introduce a notion of complexity for probability distributions in terms of their relative density with respect to the standard Gaussian measure. We prove that if the log-relative density can be locally approximated by a neural network whose parameters can be suitably bounded, then the distribution generated by empirical score matching approximates the target distribution in total variation with a dimension-independent rate. We illustrate our theory through examples, which include certain mixtures of Gaussians. An essential ingredient of our proof is to derive a dimension-free deep neural network approximation rate for the true score function associated with the forward process, which is interesting in its own right.

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

Algorithms for min-max optimization and variational inequalities are often studied under monotonicity assumptions. Motivated by non-monotone machine learning applications, we follow the line of works [Diakonikolas et al., 2021, Lee and Kim, 2021, Pethick et al., 2022, B\"ohm, 2022] aiming at going beyond monotonicity by considering the weaker negative comonotonicity assumption. In particular, we provide tight complexity analyses for the Proximal Point, Extragradient, and Optimistic Gradient methods in this setup, closing some questions on their working guarantees beyond monotonicity.

Few neural architectures lend themselves to provable learning with gradient based methods. One popular model is the single-index model, in which labels are produced by composing an unknown linear projection with a possibly unknown scalar link function. Learning this model with SGD is relatively well-understood, whereby the so-called information exponent of the link function governs a polynomial sample complexity rate. However, extending this analysis to deeper or more complicated architectures remains challenging. In this work, we consider single index learning in the setting of symmetric neural networks. Under analytic assumptions on the activation and maximum degree assumptions on the link function, we prove that gradient flow recovers the hidden planted direction, represented as a finitely supported vector in the feature space of power sum polynomials. We characterize a notion of information exponent adapted to our setting that controls the efficiency of learning.

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.

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.

Machine learning approaches relying on such criteria as adversarial robustness or multi-agent settings have raised the need for solving game-theoretic equilibrium problems. Of particular relevance to these applications are methods targeting finite-sum structure, which generically arises in empirical variants of learning problems in these contexts. Further, methods with computable approximation errors are highly desirable, as they provide verifiable exit criteria. Motivated by these applications, we study finite-sum monotone inclusion problems, which model broad classes of equilibrium problems. Our main contributions are variants of the classical Halpern iteration that employ variance reduction to obtain improved complexity guarantees in which n component operators in the finite sum are ``on average'' either cocoercive or Lipschitz continuous and monotone, with parameter L. The resulting oracle complexity of our methods, which provide guarantees for the last iterate and for a (computable) operator norm residual, is mathcal{O}( n + nLvarepsilon^{-1}), which improves upon existing methods by a factor up to n. This constitutes the first variance reduction-type result for general finite-sum monotone inclusions and for more specific problems such as convex-concave optimization when operator norm residual is the optimality measure. We further argue that, up to poly-logarithmic factors, this complexity is unimprovable in the monotone Lipschitz setting; i.e., the provided result is near-optimal.

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

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

Diffusion (score-based) generative models have been widely used for modeling various types of complex data, including images, audios, and point clouds. Recently, the deep connection between forward-backward stochastic differential equations (SDEs) and diffusion-based models has been revealed, and several new variants of SDEs are proposed (e.g., sub-VP, critically-damped Langevin) along this line. Despite the empirical success of the hand-crafted fixed forward SDEs, a great quantity of proper forward SDEs remain unexplored. In this work, we propose a general framework for parameterizing the diffusion model, especially the spatial part of the forward SDE. An abstract formalism is introduced with theoretical guarantees, and its connection with previous diffusion models is leveraged. We demonstrate the theoretical advantage of our method from an optimization perspective. Numerical experiments on synthetic datasets, MINIST and CIFAR10 are also presented to validate the effectiveness of our framework.

We study the task of agnostically learning halfspaces under the Gaussian distribution. Specifically, given labeled examples (x,y) from an unknown distribution on R^n times { pm 1}, whose marginal distribution on x is the standard Gaussian and the labels y can be arbitrary, the goal is to output a hypothesis with 0-1 loss OPT+epsilon, where OPT is the 0-1 loss of the best-fitting halfspace. We prove a near-optimal computational hardness result for this task, under the widely believed sub-exponential time hardness of the Learning with Errors (LWE) problem. Prior hardness results are either qualitatively suboptimal or apply to restricted families of algorithms. Our techniques extend to yield near-optimal lower bounds for related problems, including ReLU regression.

Learning image classification and image generation using the same set of network parameters is a challenging problem. Recent advanced approaches perform well in one task often exhibit poor performance in the other. This work introduces an energy-based classifier and generator, namely EGC, which can achieve superior performance in both tasks using a single neural network. Unlike a conventional classifier that outputs a label given an image (i.e., a conditional distribution p(y|x)), the forward pass in EGC is a classifier that outputs a joint distribution p(x,y), enabling an image generator in its backward pass by marginalizing out the label y. This is done by estimating the energy and classification probability given a noisy image in the forward pass, while denoising it using the score function estimated in the backward pass. EGC achieves competitive generation results compared with state-of-the-art approaches on ImageNet-1k, CelebA-HQ and LSUN Church, while achieving superior classification accuracy and robustness against adversarial attacks on CIFAR-10. This work represents the first successful attempt to simultaneously excel in both tasks using a single set of network parameters. We believe that EGC bridges the gap between discriminative and generative learning.

Assessing the complexity of functions computed by a neural network helps us understand how the network will learn and generalize. One natural measure of complexity is how the network distorts length - if the network takes a unit-length curve as input, what is the length of the resulting curve of outputs? It has been widely believed that this length grows exponentially in network depth. We prove that in fact this is not the case: the expected length distortion does not grow with depth, and indeed shrinks slightly, for ReLU networks with standard random initialization. We also generalize this result by proving upper bounds both for higher moments of the length distortion and for the distortion of higher-dimensional volumes. These theoretical results are corroborated by our experiments.

We study a K-armed bandit with delayed feedback and intermediate observations. We consider a model where intermediate observations have a form of a finite state, which is observed immediately after taking an action, whereas the loss is observed after an adversarially chosen delay. We show that the regime of the mapping of states to losses determines the complexity of the problem, irrespective of whether the mapping of actions to states is stochastic or adversarial. If the mapping of states to losses is adversarial, then the regret rate is of order (K+d)T (within log factors), where T is the time horizon and d is a fixed delay. This matches the regret rate of a K-armed bandit with delayed feedback and without intermediate observations, implying that intermediate observations are not helpful. However, if the mapping of states to losses is stochastic, we show that the regret grows at a rate of big(K+min{|mathcal{S|,d}big)T} (within log factors), implying that if the number |S| of states is smaller than the delay, then intermediate observations help. We also provide refined high-probability regret upper bounds for non-uniform delays, together with experimental validation of our algorithms.

We consider the problem of computing the Walsh-Hadamard Transform (WHT) of some N-length input vector in the presence of noise, where the N-point Walsh spectrum is K-sparse with K = {O}(N^{delta}) scaling sub-linearly in the input dimension N for some 0<delta<1. Over the past decade, there has been a resurgence in research related to the computation of Discrete Fourier Transform (DFT) for some length-N input signal that has a K-sparse Fourier spectrum. In particular, through a sparse-graph code design, our earlier work on the Fast Fourier Aliasing-based Sparse Transform (FFAST) algorithm computes the K-sparse DFT in time {O}(Klog K) by taking {O}(K) noiseless samples. Inspired by the coding-theoretic design framework, Scheibler et al. proposed the Sparse Fast Hadamard Transform (SparseFHT) algorithm that elegantly computes the K-sparse WHT in the absence of noise using {O}(Klog N) samples in time {O}(Klog^2 N). However, the SparseFHT algorithm explicitly exploits the noiseless nature of the problem, and is not equipped to deal with scenarios where the observations are corrupted by noise. Therefore, a question of critical interest is whether this coding-theoretic framework can be made robust to noise. Further, if the answer is yes, what is the extra price that needs to be paid for being robust to noise? In this paper, we show, quite interestingly, that there is {\it no extra price} that needs to be paid for being robust to noise other than a constant factor. In other words, we can maintain the same sample complexity {O}(Klog N) and the computational complexity {O}(Klog^2 N) as those of the noiseless case, using our SParse Robust Iterative Graph-based Hadamard Transform (SPRIGHT) algorithm.

We analyze Newton's method with lazy Hessian updates for solving general possibly non-convex optimization problems. We propose to reuse a previously seen Hessian for several iterations while computing new gradients at each step of the method. This significantly reduces the overall arithmetical complexity of second-order optimization schemes. By using the cubic regularization technique, we establish fast global convergence of our method to a second-order stationary point, while the Hessian does not need to be updated each iteration. For convex problems, we justify global and local superlinear rates for lazy Newton steps with quadratic regularization, which is easier to compute. The optimal frequency for updating the Hessian is once every d iterations, where d is the dimension of the problem. This provably improves the total arithmetical complexity of second-order algorithms by a factor d.

We resolve the open question regarding the sample complexity of policy learning for maximizing the long-run average reward associated with a uniformly ergodic Markov decision process (MDP), assuming a generative model. In this context, the existing literature provides a sample complexity upper bound of widetilde O(|S||A|t_{mix}^2 epsilon^{-2}) and a lower bound of Omega(|S||A|t_{mix} epsilon^{-2}). In these expressions, |S| and |A| denote the cardinalities of the state and action spaces respectively, t_{mix} serves as a uniform upper limit for the total variation mixing times, and epsilon signifies the error tolerance. Therefore, a notable gap of t_{mix} still remains to be bridged. Our primary contribution is the development of an estimator for the optimal policy of average reward MDPs with a sample complexity of widetilde O(|S||A|t_{mix}epsilon^{-2}). This marks the first algorithm and analysis to reach the literature's lower bound. Our new algorithm draws inspiration from ideas in Li et al. (2020), Jin and Sidford (2021), and Wang et al. (2023). Additionally, we conduct numerical experiments to validate our theoretical findings.

Score-based (denoising diffusion) generative models have recently gained a lot of success in generating realistic and diverse data. These approaches define a forward diffusion process for transforming data to noise and generate data by reversing it (thereby going from noise to data). Unfortunately, current score-based models generate data very slowly due to the sheer number of score network evaluations required by numerical SDE solvers. In this work, we aim to accelerate this process by devising a more efficient SDE solver. Existing approaches rely on the Euler-Maruyama (EM) solver, which uses a fixed step size. We found that naively replacing it with other SDE solvers fares poorly - they either result in low-quality samples or become slower than EM. To get around this issue, we carefully devise an SDE solver with adaptive step sizes tailored to score-based generative models piece by piece. Our solver requires only two score function evaluations, rarely rejects samples, and leads to high-quality samples. Our approach generates data 2 to 10 times faster than EM while achieving better or equal sample quality. For high-resolution images, our method leads to significantly higher quality samples than all other methods tested. Our SDE solver has the benefit of requiring no step size tuning.

While machine learning has advanced through massive parallelization, we identify a critical blind spot: some problems are fundamentally sequential. These "inherently serial" problems-from mathematical reasoning to physical simulations to sequential decision-making-require dependent computational steps that cannot be parallelized. Drawing from complexity theory, we formalize this distinction and demonstrate that current parallel-centric architectures face fundamental limitations on such tasks. We argue that recognizing the serial nature of computation holds profound implications on machine learning, model design, hardware development. As AI tackles increasingly complex reasoning, deliberately scaling serial computation-not just parallel computation-is essential for continued progress.

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.

Backpropagation is the standard method for achieving state-of-the-art accuracy in neural network training, but it often imposes high memory costs and lacks biological plausibility. In this paper, we introduce the Mono-Forward algorithm, a purely local layerwise learning method inspired by Hinton's Forward-Forward framework. Unlike backpropagation, Mono-Forward optimizes each layer solely with locally available information, eliminating the reliance on global error signals. We evaluated Mono-Forward on multi-layer perceptrons and convolutional neural networks across multiple benchmarks, including MNIST, Fashion-MNIST, CIFAR-10, and CIFAR-100. The test results show that Mono-Forward consistently matches or surpasses the accuracy of backpropagation across all tasks, with significantly reduced and more even memory usage, better parallelizability, and a comparable convergence rate.

Continuously adapting pre-trained models to local data on resource constrained edge devices is the last mile for model deployment. However, as models increase in size and depth, backpropagation requires a large amount of memory, which becomes prohibitive for edge devices. In addition, most existing low power neural processing engines (e.g., NPUs, DSPs, MCUs, etc.) are designed as fixed-point inference accelerators, without training capabilities. Forward gradients, solely based on directional derivatives computed from two forward calls, have been recently used for model training, with substantial savings in computation and memory. However, the performance of quantized training with fixed-point forward gradients remains unclear. In this paper, we investigate the feasibility of on-device training using fixed-point forward gradients, by conducting comprehensive experiments across a variety of deep learning benchmark tasks in both vision and audio domains. We propose a series of algorithm enhancements that further reduce the memory footprint, and the accuracy gap compared to backpropagation. An empirical study on how training with forward gradients navigates in the loss landscape is further explored. Our results demonstrate that on the last mile of model customization on edge devices, training with fixed-point forward gradients is a feasible and practical approach.

Physics-informed neural networks (PINNs) leverage neural-networks to find the solutions of partial differential equation (PDE)-constrained optimization problems with initial conditions and boundary conditions as soft constraints. These soft constraints are often considered to be the sources of the complexity in the training phase of PINNs. Here, we demonstrate that the challenge of training (i) persists even when the boundary conditions are strictly enforced, and (ii) is closely related to the Kolmogorov n-width associated with problems demonstrating transport, convection, traveling waves, or moving fronts. Given this realization, we describe the mechanism underlying the training schemes such as those used in eXtended PINNs (XPINN), curriculum regularization, and sequence-to-sequence learning. For an important category of PDEs, i.e., governed by non-linear convection-diffusion equation, we propose reformulating PINNs on a Lagrangian frame of reference, i.e., LPINNs, as a PDE-informed solution. A parallel architecture with two branches is proposed. One branch solves for the state variables on the characteristics, and the second branch solves for the low-dimensional characteristics curves. The proposed architecture conforms to the causality innate to the convection, and leverages the direction of travel of the information in the domain. Finally, we demonstrate that the loss landscapes of LPINNs are less sensitive to the so-called "complexity" of the problems, compared to those in the traditional PINNs in the Eulerian framework.

We study the conditions under which the convex relaxation of a mixed-integer linear programming formulation for ordered optimization problems, where sorting is part of the decision process, yields integral optimal solutions. Thereby solving the problem exactly in polynomial time. Our analysis identifies structural properties of the input data that influence the integrality of the relaxation. We show that incorporating ordered components introduces additional layers of combinatorial complexity that invalidate the exactness observed in classical (non-ordered) settings. In particular, for certain ordered problems such as the min--max case, the linear relaxation never recovers the integral solution. These results clarify the intrinsic hardness introduced by sorting and reveal that the strength of the relaxation depends critically on the ``proximity'' of the ordered problem to its classical counterpart: problems closer to the non-ordered case tend to admit tighter relaxations, while those further away exhibit substantially weaker behavior. Computational experiments on benchmark instances confirm the predictive value of the integrality conditions and demonstrate the practical implications of exact relaxations for ordered location problems.

Large language models display remarkable capabilities in logical and mathematical reasoning, allowing them to solve complex tasks. Interestingly, these abilities emerge in networks trained on the simple task of next-token prediction. In this work, we present a theoretical framework for studying auto-regressive next-token predictors. We demonstrate that even simple models such as linear next-token predictors, trained on Chain-of-Thought (CoT) data, can approximate any function efficiently computed by a Turing machine. We introduce a new complexity measure -- length complexity -- which measures the number of intermediate tokens in a CoT sequence required to approximate some target function, and analyze the interplay between length complexity and other notions of complexity. Finally, we show experimentally that simple next-token predictors, such as linear networks and shallow Multi-Layer Perceptrons (MLPs), display non-trivial performance on text generation and arithmetic tasks. Our results demonstrate that the power of language models can be attributed, to a great extent, to the auto-regressive next-token training scheme, and not necessarily to a particular choice of architecture.

Sequential learning with feedback graphs is a natural extension of the multi-armed bandit problem where the problem is equipped with an underlying graph structure that provides additional information - playing an action reveals the losses of all the neighbors of the action. This problem was introduced by mannor2011 and received considerable attention in recent years. It is generally stated in the literature that the minimax regret rate for this problem is of order alpha T, where alpha is the independence number of the graph, and T is the time horizon. However, this is proven only when the number of rounds T is larger than alpha^3, which poses a significant restriction for the usability of this result in large graphs. In this paper, we define a new quantity R^*, called the problem complexity, and prove that the minimax regret is proportional to R^* for any graph and time horizon T. Introducing an intricate exploration strategy, we define the \mainAlgorithm algorithm that achieves the minimax optimal regret bound and becomes the first provably optimal algorithm for this setting, even if T is smaller than alpha^3.

General full-wave electromagnetic solvers, such as those utilizing the finite-difference time-domain (FDTD) method, are computationally demanding for simulating practical GPR problems. We explore the performance of a near-real-time, forward modeling approach for GPR that is based on a machine learning (ML) architecture. To ease the process, we have developed a framework that is capable of generating these ML-based forward solvers automatically. The framework uses an innovative training method that combines a predictive dimensionality reduction technique and a large data set of modeled GPR responses from our FDTD simulation software, gprMax. The forward solver is parameterized for a specific GPR application, but the framework can be extended in a straightforward manner to different electromagnetic problems.

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.

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.

Despite the widespread practical success of deep learning methods, our theoretical understanding of the dynamics of learning in deep neural networks remains quite sparse. We attempt to bridge the gap between the theory and practice of deep learning by systematically analyzing learning dynamics for the restricted case of deep linear neural networks. Despite the linearity of their input-output map, such networks have nonlinear gradient descent dynamics on weights that change with the addition of each new hidden layer. We show that deep linear networks exhibit nonlinear learning phenomena similar to those seen in simulations of nonlinear networks, including long plateaus followed by rapid transitions to lower error solutions, and faster convergence from greedy unsupervised pretraining initial conditions than from random initial conditions. We provide an analytical description of these phenomena by finding new exact solutions to the nonlinear dynamics of deep learning. Our theoretical analysis also reveals the surprising finding that as the depth of a network approaches infinity, learning speed can nevertheless remain finite: for a special class of initial conditions on the weights, very deep networks incur only a finite, depth independent, delay in learning speed relative to shallow networks. We show that, under certain conditions on the training data, unsupervised pretraining can find this special class of initial conditions, while scaled random Gaussian initializations cannot. We further exhibit a new class of random orthogonal initial conditions on weights that, like unsupervised pre-training, enjoys depth independent learning times. We further show that these initial conditions also lead to faithful propagation of gradients even in deep nonlinear networks, as long as they operate in a special regime known as the edge of chaos.

We revisit the noisy binary search model of Karp and Kleinberg, in which we have n coins with unknown probabilities p_i that we can flip. The coins are sorted by increasing p_i, and we would like to find where the probability crosses (to within varepsilon) of a target value tau. This generalized the fixed-noise model of Burnashev and Zigangirov , in which p_i = 1{2} pm varepsilon, to a setting where coins near the target may be indistinguishable from it. Karp and Kleinberg showed that Theta(1{varepsilon^2} log n) samples are necessary and sufficient for this task. We produce a practical algorithm by solving two theoretical challenges: high-probability behavior and sharp constants. We give an algorithm that succeeds with probability 1-delta from \[ 1{C_{\tau, \varepsilon}} \cdot \left(\lg n + O(\log^{2/3} n \log^{1/3} 1{\delta} + \log 1{\delta})\right) \] samples, where C_{tau, varepsilon} is the optimal such constant achievable. For delta > n^{-o(1)} this is within 1 + o(1) of optimal, and for delta ll 1 it is the first bound within constant factors of optimal.

This monograph presents the main complexity theorems in convex optimization and their corresponding algorithms. Starting from the fundamental theory of black-box optimization, the material progresses towards recent advances in structural optimization and stochastic optimization. Our presentation of black-box optimization, strongly influenced by Nesterov's seminal book and Nemirovski's lecture notes, includes the analysis of cutting plane methods, as well as (accelerated) gradient descent schemes. We also pay special attention to non-Euclidean settings (relevant algorithms include Frank-Wolfe, mirror descent, and dual averaging) and discuss their relevance in machine learning. We provide a gentle introduction to structural optimization with FISTA (to optimize a sum of a smooth and a simple non-smooth term), saddle-point mirror prox (Nemirovski's alternative to Nesterov's smoothing), and a concise description of interior point methods. In stochastic optimization we discuss stochastic gradient descent, mini-batches, random coordinate descent, and sublinear algorithms. We also briefly touch upon convex relaxation of combinatorial problems and the use of randomness to round solutions, as well as random walks based methods.

The rising computational and energy demands of deep neural networks (DNNs), driven largely by backpropagation (BP), challenge sustainable AI development. This paper rigorously investigates three BP-free training methods: the Forward-Forward (FF), Cascaded-Forward (CaFo), and Mono-Forward (MF) algorithms, tracing their progression from foundational concepts to a demonstrably superior solution. A robust comparative framework was established: each algorithm was implemented on its native architecture (MLPs for FF and MF, a CNN for CaFo) and benchmarked against an equivalent BP-trained model. Hyperparameters were optimized with Optuna, and consistent early stopping criteria were applied based on validation performance, ensuring all models were optimally tuned before comparison. Results show that MF not only competes with but consistently surpasses BP in classification accuracy on its native MLPs. Its superior generalization stems from converging to a more favorable minimum in the validation loss landscape, challenging the assumption that global optimization is required for state-of-the-art results. Measured at the hardware level using the NVIDIA Management Library (NVML) API, MF reduces energy consumption by up to 41% and shortens training time by up to 34%, translating to a measurably smaller carbon footprint as estimated by CodeCarbon. Beyond this primary result, we present a hardware-level analysis that explains the efficiency gains: exposing FF's architectural inefficiencies, validating MF's computationally lean design, and challenging the assumption that all BP-free methods are inherently more memory-efficient. By documenting the evolution from FF's conceptual groundwork to MF's synthesis of accuracy and sustainability, this work offers a clear, data-driven roadmap for future energy-efficient deep learning.

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

For a two-player imperfect-information extensive-form game (IIEFG) with K time steps and a player action space of size U, the game tree complexity is U^{2K}, causing existing IIEFG solvers to struggle with large or infinite (U,K), e.g., differential games with continuous action spaces. To partially address this scalability challenge, we focus on an important class of 2p0s games where the informed player (P1) knows the payoff while the uninformed player (P2) only has a belief over the set of I possible payoffs. Such games encompass a wide range of scenarios in sports, defense, cybersecurity, and finance. We prove that under mild conditions, P1's (resp. P2's) equilibrium strategy at any infostate concentrates on at most I (resp. I+1) action prototypes. When Ill U, this equilibrium structure causes the game tree complexity to collapse to I^K for P1 when P2 plays pure best responses, and (I+1)^K for P2 in a dual game where P1 plays pure best responses. We then show that exploiting this structure in standard learning modes, i.e., model-free multiagent reinforcement learning and model predictive control, is straightforward, leading to significant improvements in learning accuracy and efficiency from SOTA IIEFG solvers. Our demonstration solves a 22-player football game (K=10, U=infty) where the attacking team has to strategically conceal their intention until a critical moment in order to exploit information advantage. Code is available at https://github.com/ghimiremukesh/cams/tree/iclr

We study multi-agent reinforcement learning in the setting of episodic Markov decision processes, where multiple agents cooperate via communication through a central server. We propose a provably efficient algorithm based on value iteration that enable asynchronous communication while ensuring the advantage of cooperation with low communication overhead. With linear function approximation, we prove that our algorithm enjoys an mathcal{O}(d^{3/2}H^2K) regret with mathcal{O}(dHM^2) communication complexity, where d is the feature dimension, H is the horizon length, M is the total number of agents, and K is the total number of episodes. We also provide a lower bound showing that a minimal Omega(dM) communication complexity is required to improve the performance through collaboration.

Neural networks often suffer from catastrophic interference (CI): performance on previously learned tasks drops off significantly when learning a new task. This contrasts strongly with humans, who can sequentially learn new tasks without appreciably forgetting previous tasks. Prior work has explored various techniques for mitigating CI such as regularization, rehearsal, generative replay, and distillation methods. The current work takes a different approach, one guided by cognitive science research showing that in naturalistic environments, the probability of encountering a task decreases as a power-law of the time since it was last performed. We argue that a realistic evaluation of techniques for the mitigation of CI should be performed in simulated naturalistic learning environments. Thus, we evaluate the extent of mitigation of CI when training simple rehearsal-based methods in power-law environments similar to the ones humans face. Our work explores this novel rehearsal-based approach for a domain-incremental task: learning permutations in the MNIST task. We compare our rehearsal environment with other baselines to show its efficacy in promoting continual learning. Additionally, we investigate whether this environment shows forward facilitation, i.e., faster learning of later tasks. Next, we explore the robustness of our learning environment to the number of tasks, model size, and amount of data rehearsed after each task. Notably, our results show that the performance is comparable or superior to that of models trained using popular regularization methods and also to rehearsals in non-power-law environments. The benefits of this training paradigm include simplicity and the lack of a need for extra neural circuitry. In addition, because our method is orthogonal to other methods, future research can combine training in power-law environments with other continual learning mechanisms.

We perform an empirical study of the behaviour of deep networks when fully linearizing some of its feature channels through a sparsity prior on the overall number of nonlinear units in the network. In experiments on image classification and machine translation tasks, we investigate how much we can simplify the network function towards linearity before performance collapses. First, we observe a significant performance gap when reducing nonlinearity in the network function early on as opposed to late in training, in-line with recent observations on the time-evolution of the data-dependent NTK. Second, we find that after training, we are able to linearize a significant number of nonlinear units while maintaining a high performance, indicating that much of a network's expressivity remains unused but helps gradient descent in early stages of training. To characterize the depth of the resulting partially linearized network, we introduce a measure called average path length, representing the average number of active nonlinearities encountered along a path in the network graph. Under sparsity pressure, we find that the remaining nonlinear units organize into distinct structures, forming core-networks of near constant effective depth and width, which in turn depend on task difficulty.

Message passing graph neural networks (GNNs) are a popular learning architectures for graph-structured data. However, one problem GNNs experience is oversquashing, where a GNN has difficulty sending information between distant nodes. Understanding and mitigating oversquashing has recently received significant attention from the research community. In this paper, we continue this line of work by analyzing oversquashing through the lens of the effective resistance between nodes in the input graph. Effective resistance intuitively captures the ``strength'' of connection between two nodes by paths in the graph, and has a rich literature spanning many areas of graph theory. We propose to use total effective resistance as a bound of the total amount of oversquashing in a graph and provide theoretical justification for its use. We further develop an algorithm to identify edges to be added to an input graph to minimize the total effective resistance, thereby alleviating oversquashing. We provide empirical evidence of the effectiveness of our total effective resistance based rewiring strategies for improving the performance of GNNs.

We study the problem of learning hierarchical polynomials over the standard Gaussian distribution with three-layer neural networks. We specifically consider target functions of the form h = g circ p where p : R^d rightarrow R is a degree k polynomial and g: R rightarrow R is a degree q polynomial. This function class generalizes the single-index model, which corresponds to k=1, and is a natural class of functions possessing an underlying hierarchical structure. Our main result shows that for a large subclass of degree k polynomials p, a three-layer neural network trained via layerwise gradient descent on the square loss learns the target h up to vanishing test error in mathcal{O}(d^k) samples and polynomial time. This is a strict improvement over kernel methods, which require widetilde Theta(d^{kq}) samples, as well as existing guarantees for two-layer networks, which require the target function to be low-rank. Our result also generalizes prior works on three-layer neural networks, which were restricted to the case of p being a quadratic. When p is indeed a quadratic, we achieve the information-theoretically optimal sample complexity mathcal{O}(d^2), which is an improvement over prior work~nichani2023provable requiring a sample size of widetildeTheta(d^4). Our proof proceeds by showing that during the initial stage of training the network performs feature learning to recover the feature p with mathcal{O}(d^k) samples. This work demonstrates the ability of three-layer neural networks to learn complex features and as a result, learn a broad class of hierarchical functions.

Continual learning aims to avoid catastrophic forgetting and effectively leverage learned experiences to master new knowledge. Existing gradient projection approaches impose hard constraints on the optimization space for new tasks to minimize interference, which simultaneously hinders forward knowledge transfer. To address this issue, recent methods reuse frozen parameters with a growing network, resulting in high computational costs. Thus, it remains a challenge whether we can improve forward knowledge transfer for gradient projection approaches using a fixed network architecture. In this work, we propose the Restricted Orthogonal Gradient prOjection (ROGO) framework. The basic idea is to adopt a restricted orthogonal constraint allowing parameters optimized in the direction oblique to the whole frozen space to facilitate forward knowledge transfer while consolidating previous knowledge. Our framework requires neither data buffers nor extra parameters. Extensive experiments have demonstrated the superiority of our framework over several strong baselines. We also provide theoretical guarantees for our relaxing strategy.

This paper provides the first tight convergence analyses for RMSProp and Adam in non-convex optimization under the most relaxed assumptions of coordinate-wise generalized smoothness and affine noise variance. We first analyze RMSProp, which is a special case of Adam with adaptive learning rates but without first-order momentum. Specifically, to solve the challenges due to dependence among adaptive update, unbounded gradient estimate and Lipschitz constant, we demonstrate that the first-order term in the descent lemma converges and its denominator is upper bounded by a function of gradient norm. Based on this result, we show that RMSProp with proper hyperparameters converges to an epsilon-stationary point with an iteration complexity of mathcal O(epsilon^{-4}). We then generalize our analysis to Adam, where the additional challenge is due to a mismatch between the gradient and first-order momentum. We develop a new upper bound on the first-order term in the descent lemma, which is also a function of the gradient norm. We show that Adam with proper hyperparameters converges to an epsilon-stationary point with an iteration complexity of mathcal O(epsilon^{-4}). Our complexity results for both RMSProp and Adam match with the complexity lower bound established in arjevani2023lower.

We propose JFR, a Bellman-Ford-based optimization framework leveraging frontier contraction and abstract multi-hop jump propagation to accelerate shortest-path computation while strictly preserving correctness. JFR achieves substantial reductions in relaxation operations, ranging from 25 to 99 percent, across sparse, dense, and negative-edge graphs, ensuring robust performance even under adversarial or highly connected topologies. On ultra-large graphs with up to N=20,000 nodes and 295 million edges, JFR maintains strong operational reductions and comparable or improved runtime relative to SPFA-SLF, demonstrating consistent robustness across graph size and density. Lower relaxation counts imply reduced memory-access overheads and computational effort; this normalized work reduction highlights JFR's suitability for scenarios requiring high throughput or energy-conscious operation. Future work focuses on integrating high-performance queue structures, adaptive frontier strategies, and cache-aware techniques to further reduce constant-factor overheads and fully realize JFR's practical runtime potential.

Backward Filtering Forward Guiding (BFFG) is a bidirectional algorithm proposed in Mider et al. [2021] and studied more in depth in a general setting in Van der Meulen and Schauer [2022]. In category theory, optics have been proposed for modelling systems with bidirectional data flow. We connect BFFG with optics and prove that different ways of composing the building blocks of BFFG correspond to equivalent optics.

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

Recently, the study of linear misspecified bandits has generated intriguing implications of the hardness of learning in bandits and reinforcement learning (RL). In particular, Du et al. (2020) show that even if a learner is given linear features in R^d that approximate the rewards in a bandit or RL with a uniform error of varepsilon, searching for an O(varepsilon)-optimal action requires pulling at least Omega(exp(d)) queries. Furthermore, Lattimore et al. (2020) show that a degraded O(varepsilond)-optimal solution can be learned within poly(d/varepsilon) queries. Yet it is unknown whether a structural assumption on the ground-truth parameter, such as sparsity, could break the varepsilond barrier. In this paper, we address this question by showing that algorithms can obtain O(varepsilon)-optimal actions by querying O(varepsilon^{-s}d^s) actions, where s is the sparsity parameter, removing the exp(d)-dependence. We then establish information-theoretical lower bounds, i.e., Omega(exp(s)), to show that our upper bound on sample complexity is nearly tight if one demands an error O(s^{delta}varepsilon) for 0<delta<1. For deltageq 1, we further show that poly(s/varepsilon) queries are possible when the linear features are "good" and even in general settings. These results provide a nearly complete picture of how sparsity can help in misspecified bandit learning and provide a deeper understanding of when linear features are "useful" for bandit and reinforcement learning with misspecification.

Various common deep learning architectures, such as LSTMs, GRUs, Resnets and Highway Networks, employ state passthrough connections that support training with high feed-forward depth or recurrence over many time steps. These "Passthrough Networks" architectures also enable the decoupling of the network state size from the number of parameters of the network, a possibility has been studied by Sak2014 with their low-rank parametrization of the LSTM. In this work we extend this line of research, proposing effective, low-rank and low-rank plus diagonal matrix parametrizations for Passthrough Networks which exploit this decoupling property, reducing the data complexity and memory requirements of the network while preserving its memory capacity. This is particularly beneficial in low-resource settings as it supports expressive models with a compact parametrization less susceptible to overfitting. We present competitive experimental results on several tasks, including language modeling and a near state of the art result on sequential randomly-permuted MNIST classification, a hard task on natural data.

Modern machine learning algorithms, especially deep learning based techniques, typically involve careful hyperparameter tuning to achieve the best performance. Despite the surge of intense interest in practical techniques like Bayesian optimization and random search based approaches to automating this laborious and compute intensive task, the fundamental learning theoretic complexity of tuning hyperparameters for deep neural networks is poorly understood. Inspired by this glaring gap, we initiate the formal study of hyperparameter tuning complexity in deep learning through a recently introduced data driven setting. We assume that we have a series of deep learning tasks, and we have to tune hyperparameters to do well on average over the distribution of tasks. A major difficulty is that the utility function as a function of the hyperparameter is very volatile and furthermore, it is given implicitly by an optimization problem over the model parameters. To tackle this challenge, we introduce a new technique to characterize the discontinuities and oscillations of the utility function on any fixed problem instance as we vary the hyperparameter; our analysis relies on subtle concepts including tools from differential/algebraic geometry and constrained optimization. This can be used to show that the learning theoretic complexity of the corresponding family of utility functions is bounded. We instantiate our results and provide sample complexity bounds for concrete applications tuning a hyperparameter that interpolates neural activation functions and setting the kernel parameter in graph neural networks.

Self-attention is at the heart of the popular Transformer architecture, yet suffers from quadratic time and memory complexity. The breakthrough FlashAttention algorithm revealed I/O complexity as the true bottleneck in scaling Transformers. Given two levels of memory hierarchy, a fast cache (e.g. GPU on-chip SRAM) and a slow memory (e.g. GPU high-bandwidth memory), the I/O complexity measures the number of accesses to memory. FlashAttention computes attention using N^2d^2{M} I/O operations where N is the dimension of the attention matrix, d the head-dimension and M the cache size. However, is this I/O complexity optimal? The known lower bound only rules out an I/O complexity of o(Nd) when M=Theta(Nd), since the output that needs to be written to slow memory is Omega(Nd). This leads to the main question of our work: Is FlashAttention I/O optimal for all values of M? We resolve the above question in its full generality by showing an I/O complexity lower bound that matches the upper bound provided by FlashAttention for any values of M geq d^2 within any constant factors. Further, we give a better algorithm with lower I/O complexity for M < d^2, and show that it is optimal as well. Moreover, our lower bounds do not rely on using combinatorial matrix multiplication for computing the attention matrix. We show even if one uses fast matrix multiplication, the above I/O complexity bounds cannot be improved. We do so by introducing a new communication complexity protocol for matrix compression, and connecting communication complexity to I/O complexity. To the best of our knowledge, this is the first work to establish a connection between communication complexity and I/O complexity, and we believe this connection could be of independent interest and will find many more applications in proving I/O complexity lower bounds in the future.

Maximum mean discrepancy (MMD) flows suffer from high computational costs in large scale computations. In this paper, we show that MMD flows with Riesz kernels K(x,y) = - |x-y|^r, r in (0,2) have exceptional properties which allow their efficient computation. We prove that the MMD of Riesz kernels, which is also known as energy distance, coincides with the MMD of their sliced version. As a consequence, the computation of gradients of MMDs can be performed in the one-dimensional setting. Here, for r=1, a simple sorting algorithm can be applied to reduce the complexity from O(MN+N^2) to O((M+N)log(M+N)) for two measures with M and N support points. As another interesting follow-up result, the MMD of compactly supported measures can be estimated from above and below by the Wasserstein-1 distance. For the implementations we approximate the gradient of the sliced MMD by using only a finite number P of slices. We show that the resulting error has complexity O(d/P), where d is the data dimension. These results enable us to train generative models by approximating MMD gradient flows by neural networks even for image applications. We demonstrate the efficiency of our model by image generation on MNIST, FashionMNIST and CIFAR10.

An established measure of the expressive power of a given ReLU neural network is the number of linear regions into which it partitions the input space. There exist many different, non-equivalent definitions of what a linear region actually is. We systematically assess which papers use which definitions and discuss how they relate to each other. We then analyze the computational complexity of counting the number of such regions for the various definitions. Generally, this turns out to be an intractable problem. We prove NP- and #P-hardness results already for networks with one hidden layer and strong hardness of approximation results for two or more hidden layers. Finally, on the algorithmic side, we demonstrate that counting linear regions can at least be achieved in polynomial space for some common definitions.

Recent advances in Transformer-based Large Language Models have made great strides in natural language generation. However, to decode K tokens, an autoregressive model needs K sequential forward passes, which may be a performance bottleneck for large language models. Many non-autoregressive (NAR) research are aiming to address this sequentiality bottleneck, albeit many have focused on a dedicated architecture in supervised benchmarks. In this work, we studied unsupervised pretraining for non auto-regressive T5 models via unrolled denoising and shown its SoTA results in downstream generation tasks such as SQuAD question generation and XSum.

In contrast to entropy, which increases monotonically, the "complexity" or "interestingness" of closed systems seems intuitively to increase at first and then decrease as equilibrium is approached. For example, our universe lacked complex structures at the Big Bang and will also lack them after black holes evaporate and particles are dispersed. This paper makes an initial attempt to quantify this pattern. As a model system, we use a simple, two-dimensional cellular automaton that simulates the mixing of two liquids ("coffee" and "cream"). A plausible complexity measure is then the Kolmogorov complexity of a coarse-grained approximation of the automaton's state, which we dub the "apparent complexity." We study this complexity measure, and show analytically that it never becomes large when the liquid particles are non-interacting. By contrast, when the particles do interact, we give numerical evidence that the complexity reaches a maximum comparable to the "coffee cup's" horizontal dimension. We raise the problem of proving this behavior analytically.

When agents are acting together, they may need a simple mechanism to decide on joint actions. One possibility is to have the agents express their preferences in the form of a ballot and use a voting rule to decide the winning action(s). Unfortunately, agents may try to manipulate such an election by misreporting their preferences. Fortunately, it has been shown that it is NP-hard to compute how to manipulate a number of different voting rules. However, NP-hardness only bounds the worst-case complexity. Recent theoretical results suggest that manipulation may often be easy in practice. To address this issue, I suggest studying empirically if computational complexity is in practice a barrier to manipulation. The basic tool used in my investigations is the identification of computational "phase transitions". Such an approach has been fruitful in identifying hard instances of propositional satisfiability and other NP-hard problems. I show that phase transition behaviour gives insight into the hardness of manipulating voting rules, increasing concern that computational complexity is indeed any sort of barrier. Finally, I look at the problem of computing manipulation of other, related problems like stable marriage and tournament problems.

We study the accuracy of differentially private mechanisms in the continual release model. A continual release mechanism receives a sensitive dataset as a stream of T inputs and produces, after receiving each input, an accurate output on the obtained inputs. In contrast, a batch algorithm receives the data as one batch and produces a single output. We provide the first strong lower bounds on the error of continual release mechanisms. In particular, for two fundamental problems that are widely studied and used in the batch model, we show that the worst case error of every continual release algorithm is tilde Omega(T^{1/3}) times larger than that of the best batch algorithm. Previous work shows only a polylogarithimic (in T) gap between the worst case error achievable in these two models; further, for many problems, including the summation of binary attributes, the polylogarithmic gap is tight (Dwork et al., 2010; Chan et al., 2010). Our results show that problems closely related to summation -- specifically, those that require selecting the largest of a set of sums -- are fundamentally harder in the continual release model than in the batch model. Our lower bounds assume only that privacy holds for streams fixed in advance (the "nonadaptive" setting). However, we provide matching upper bounds that hold in a model where privacy is required even for adaptively selected streams. This model may be of independent interest.

During recent years the interest of optimization and machine learning communities in high-probability convergence of stochastic optimization methods has been growing. One of the main reasons for this is that high-probability complexity bounds are more accurate and less studied than in-expectation ones. However, SOTA high-probability non-asymptotic convergence results are derived under strong assumptions such as the boundedness of the gradient noise variance or of the objective's gradient itself. In this paper, we propose several algorithms with high-probability convergence results under less restrictive assumptions. In particular, we derive new high-probability convergence results under the assumption that the gradient/operator noise has bounded central alpha-th moment for alpha in (1,2] in the following setups: (i) smooth non-convex / Polyak-Lojasiewicz / convex / strongly convex / quasi-strongly convex minimization problems, (ii) Lipschitz / star-cocoercive and monotone / quasi-strongly monotone variational inequalities. These results justify the usage of the considered methods for solving problems that do not fit standard functional classes studied in stochastic optimization.

We study first-order methods with preconditioning for solving structured nonlinear convex optimization problems. We propose a new family of preconditioners generated by symmetric polynomials. They provide first-order optimization methods with a provable improvement of the condition number, cutting the gaps between highest eigenvalues, without explicit knowledge of the actual spectrum. We give a stochastic interpretation of this preconditioning in terms of coordinate volume sampling and compare it with other classical approaches, including the Chebyshev polynomials. We show how to incorporate a polynomial preconditioning into the Gradient and Fast Gradient Methods and establish the corresponding global complexity bounds. Finally, we propose a simple adaptive search procedure that automatically chooses the best possible polynomial preconditioning for the Gradient Method, minimizing the objective along a low-dimensional Krylov subspace. Numerical experiments confirm the efficiency of our preconditioning strategies for solving various machine learning problems.

N:M Structured sparsity has garnered significant interest as a result of relatively modest overhead and improved efficiency. Additionally, this form of sparsity holds considerable appeal for reducing the memory footprint owing to their modest representation overhead. There have been efforts to develop training recipes for N:M structured sparsity, they primarily focus on low-sparsity regions (sim50\%). Nonetheless, performance of models trained using these approaches tends to decline when confronted with high-sparsity regions (>80\%). In this work, we study the effectiveness of existing sparse training recipes at high-sparsity regions and argue that these methods fail to sustain the model quality on par with low-sparsity regions. We demonstrate that the significant factor contributing to this disparity is the presence of elevated levels of induced noise in the gradient magnitudes. To mitigate this undesirable effect, we employ decay mechanisms to progressively restrict the flow of gradients towards pruned elements. Our approach improves the model quality by up to 2% and 5% in vision and language models at high sparsity regime, respectively. We also evaluate the trade-off between model accuracy and training compute cost in terms of FLOPs. At iso-training FLOPs, our method yields better performance compared to conventional sparse training recipes, exhibiting an accuracy improvement of up to 2%. The source code is available at https://github.com/abhibambhaniya/progressive_gradient_flow_nm_sparsity.

Inference-time optimization scales computation to derive deliberate reasoning steps for effective performance. While previous search-based strategies address the short-sightedness of auto-regressive generation, the vast search space leads to excessive exploration and insufficient exploitation. To strike an efficient balance to derive the optimal step, we frame the decoding strategy as foresight sampling, leveraging simulated future steps to obtain globally optimal step estimation. Built on it, we propose a novel decoding strategy, named phi-Decoding. To provide a precise and expressive estimation of step value, phi-Decoding approximates two distributions via foresight and clustering. Sampling from the joint distribution, the optimal steps can be selected for exploitation. To support adaptive computation allocation, we propose in-width and in-depth pruning strategies, featuring a light-weight solution to achieve inference efficiency. Extensive experiments across seven benchmarks show phi-Decoding outperforms strong baselines in both performance and efficiency. Additional analysis demonstrates its generalization across various LLMs and scalability across a wide range of computing budgets. The code will be released at https://github.com/xufangzhi/phi-Decoding, and the open-source PyPI package is coming soon.

In this work, we consider the problem of collaborative multi-user reinforcement learning. In this setting there are multiple users with the same state-action space and transition probabilities but with different rewards. Under the assumption that the reward matrix of the N users has a low-rank structure -- a standard and practically successful assumption in the offline collaborative filtering setting -- the question is can we design algorithms with significantly lower sample complexity compared to the ones that learn the MDP individually for each user. Our main contribution is an algorithm which explores rewards collaboratively with N user-specific MDPs and can learn rewards efficiently in two key settings: tabular MDPs and linear MDPs. When N is large and the rank is constant, the sample complexity per MDP depends logarithmically over the size of the state-space, which represents an exponential reduction (in the state-space size) when compared to the standard ``non-collaborative'' algorithms.

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

Sparsity in the structure of Neural Networks can lead to less energy consumption, less memory usage, faster computation times on convenient hardware, and automated machine learning. If sparsity gives rise to certain kinds of structure, it can explain automatically obtained features during learning. We provide insights into experiments in which we show how sparsity can be achieved through prior initialization, pruning, and during learning, and answer questions on the relationship between the structure of Neural Networks and their performance. This includes the first work of inducing priors from network theory into Recurrent Neural Networks and an architectural performance prediction during a Neural Architecture Search. Within our experiments, we show how magnitude class blinded pruning achieves 97.5% on MNIST with 80% compression and re-training, which is 0.5 points more than without compression, that magnitude class uniform pruning is significantly inferior to it and how a genetic search enhanced with performance prediction achieves 82.4% on CIFAR10. Further, performance prediction for Recurrent Networks learning the Reber grammar shows an R^2 of up to 0.81 given only structural information.

When rows of an n times d matrix A are given in a stream, we study algorithms for approximating the top eigenvector of the matrix {A}^TA (equivalently, the top right singular vector of A). We consider worst case inputs A but assume that the rows are presented to the streaming algorithm in a uniformly random order. We show that when the gap parameter R = σ_1(A)^2/σ_2(A)^2 = Ω(1), then there is a randomized algorithm that uses O(h cdot d cdot polylog(d)) bits of space and outputs a unit vector v that has a correlation 1 - O(1/R) with the top eigenvector v_1. Here h denotes the number of heavy rows in the matrix, defined as the rows with Euclidean norm at least |{A}|_F/d cdot operatorname{polylog(d)}. We also provide a lower bound showing that any algorithm using O(hd/R) bits of space can obtain at most 1 - Ω(1/R^2) correlation with the top eigenvector. Thus, parameterizing the space complexity in terms of the number of heavy rows is necessary for high accuracy solutions. Our results improve upon the R = Ω(log n cdot log d) requirement in a recent work of Price and Xun (FOCS 2024). We note that the algorithm of Price and Xun works for arbitrary order streams whereas our algorithm requires a stronger assumption that the rows are presented in a uniformly random order. We additionally show that the gap requirements in their analysis can be brought down to R = Ω(log^2 d) for arbitrary order streams and R = Ω(log d) for random order streams. The requirement of R = Ω(log d) for random order streams is nearly tight for their analysis as we obtain a simple instance with R = Ω(log d/loglog d) for which their algorithm, with any fixed learning rate, cannot output a vector approximating the top eigenvector v_1.

In this paper, we revisit one of the simplest problems in data structures: the task of inserting elements into an open-addressed hash table so that elements can later be retrieved with as few probes as possible. We show that, even without reordering elements over time, it is possible to construct a hash table that achieves far better expected search complexities (both amortized and worst-case) than were previously thought possible. Along the way, we disprove the central conjecture left by Yao in his seminal paper ``Uniform Hashing is Optimal''. All of our results come with matching lower bounds.

Finding the optimal pass sequence of compilation can lead to a significant reduction in program size and/or improvement in program efficiency. Prior works on compilation pass ordering have two major drawbacks. They either require an excessive budget (in terms of compilation steps) at compile time or fail to generalize to unseen programs. In this paper, for code-size reduction tasks, we propose a novel pipeline to find program-dependent pass sequences within 45 compilation calls. It first identifies a coreset of 50 pass sequences via greedy optimization of a submodular function, and then learns a policy with Graph Neural Network (GNN) to pick the optimal sequence by predicting the normalized values of the pass sequences in the coreset. Despite its simplicity, our pipeline outperforms the default -Oz flag by an average of 4.7% over a large collection (4683) of unseen code repositories from diverse domains across 14 datasets. In comparison, previous approaches like reinforcement learning on the raw pass sequence space may take days to train due to sparse reward, and may not generalize well in held-out ones from different domains. Our results demonstrate that existing human-designed compiler flags can be improved with a simple yet effective technique that transforms the raw action space into a small one with denser rewards.

Conventional wisdom in deep learning states that increasing depth improves expressiveness but complicates optimization. This paper suggests that, sometimes, increasing depth can speed up optimization. The effect of depth on optimization is decoupled from expressiveness by focusing on settings where additional layers amount to overparameterization - linear neural networks, a well-studied model. Theoretical analysis, as well as experiments, show that here depth acts as a preconditioner which may accelerate convergence. Even on simple convex problems such as linear regression with ell_p loss, p>2, gradient descent can benefit from transitioning to a non-convex overparameterized objective, more than it would from some common acceleration schemes. We also prove that it is mathematically impossible to obtain the acceleration effect of overparametrization via gradients of any regularizer.

Software engineers mainly write code by editing existing programs. In contrast, large language models (LLMs) autoregressively synthesize programs in a single pass. One explanation for this is the scarcity of open-sourced edit data. While high-quality instruction data for code synthesis is already scarce, high-quality edit data is even scarcer. To fill this gap, we develop a synthetic data generation algorithm called LintSeq. This algorithm refactors existing code into a sequence of code edits by using a linter to procedurally sample across the error-free insertions that can be used to sequentially write programs. It outputs edit sequences as text strings consisting of consecutive program diffs. To test LintSeq, we use it to refactor a dataset of instruction + program pairs into instruction + program-diff-sequence tuples. Then, we instruction finetune a series of smaller LLMs ranging from 2.6B to 14B parameters on both the re-factored and original versions of this dataset, comparing zero-shot performance on code synthesis benchmarks. We show that during repeated sampling, edit sequence finetuned models produce more diverse programs than baselines. This results in better inference-time scaling for benchmark coverage as a function of samples, i.e. the fraction of problems "pass@k" solved by any attempt given "k" tries. For example, on HumanEval pass@50, small LLMs finetuned on synthetic edit sequences are competitive with GPT-4 and outperform models finetuned on the baseline dataset by +20% (+/-3%) in absolute score. Finally, we also pretrain our own tiny LMs for code understanding. We show that finetuning tiny models on synthetic code edits results in state-of-the-art code synthesis for the on-device model class. Our 150M parameter edit sequence LM matches or outperforms code models with twice as many parameters, both with and without repeated sampling, including Codex and AlphaCode.

Pruning assumes a subnetwork exists in the original deep neural network, which can achieve comparative model performance with less computation than the original. However, it is unclear how the model performance varies with the different subnetwork extractions. In this paper, we choose the representation dimension (or embedding dimension, model dimension, the dimension of the residual stream in the relevant literature) as the entry point to this issue. We investigate the linear transformations in the LLM transformer blocks and consider a specific structured pruning approach, SliceGPT, to extract the subnetworks of different representation dimensions. We mechanistically analyse the activation flow during the model forward passes, and find the representation dimension dominates the linear transformations, model predictions, and, finally, the model performance. Explicit analytical relations are given to calculate the pruned model performance (perplexity and accuracy) without actual evaluation, and are empirically validated with Llama-3-8B-Instruct and Phi-3-mini-4k-Instruct.

Score-based Generative Models (SGMs) have achieved state-of-the-art synthesis results on diverse tasks. However, the current design space of the forward diffusion process is largely unexplored and often relies on physical intuition or simplifying assumptions. Leveraging results from the design of scalable Bayesian posterior samplers, we present a complete recipe for constructing forward processes in SGMs, all of which are guaranteed to converge to the target distribution of interest. We show that several existing SGMs can be cast as specific instantiations of this parameterization. Furthermore, building on this recipe, we construct a novel SGM: Phase Space Langevin Diffusion (PSLD), which performs score-based modeling in a space augmented with auxiliary variables akin to a physical phase space. We show that PSLD outperforms competing baselines in terms of sample quality and the speed-vs-quality tradeoff across different samplers on various standard image synthesis benchmarks. Moreover, we show that PSLD achieves sample quality comparable to state-of-the-art SGMs (FID: 2.10 on unconditional CIFAR-10 generation), providing an attractive alternative as an SGM backbone for further development. We will publish our code and model checkpoints for reproducibility at https://github.com/mandt-lab/PSLD.

We develop a framework for non-asymptotic analysis of deterministic samplers used for diffusion generative modeling. Several recent works have analyzed stochastic samplers using tools like Girsanov's theorem and a chain rule variant of the interpolation argument. Unfortunately, these techniques give vacuous bounds when applied to deterministic samplers. We give a new operational interpretation for deterministic sampling by showing that one step along the probability flow ODE can be expressed as two steps: 1) a restoration step that runs gradient ascent on the conditional log-likelihood at some infinitesimally previous time, and 2) a degradation step that runs the forward process using noise pointing back towards the current iterate. This perspective allows us to extend denoising diffusion implicit models to general, non-linear forward processes. We then develop the first polynomial convergence bounds for these samplers under mild conditions on the data distribution.

We focus on the classification problem with a separable dataset, one of the most important and classical problems from machine learning. The standard approach to this task is logistic regression with gradient descent (LR+GD). Recent studies have observed that LR+GD can find a solution with arbitrarily large step sizes, defying conventional optimization theory. Our work investigates this phenomenon and makes three interconnected key observations about LR+GD with large step sizes. First, we find a remarkably simple explanation of why LR+GD with large step sizes solves the classification problem: LR+GD reduces to a batch version of the celebrated perceptron algorithm when the step size gamma to infty. Second, we observe that larger step sizes lead LR+GD to higher logistic losses when it tends to the perceptron algorithm, but larger step sizes also lead to faster convergence to a solution for the classification problem, meaning that logistic loss is an unreliable metric of the proximity to a solution. Surprisingly, high loss values can actually indicate faster convergence. Third, since the convergence rate in terms of loss function values of LR+GD is unreliable, we examine the iteration complexity required by LR+GD with large step sizes to solve the classification problem and prove that this complexity is suboptimal. To address this, we propose a new method, Normalized LR+GD - based on the connection between LR+GD and the perceptron algorithm - with much better theoretical guarantees.

There are few known exponential speedups for quantum algorithms and these tend to fall into even fewer families. One speedup that has mostly resisted generalization is the use of quantum walks to traverse the welded-tree graph, due to Childs, Cleve, Deotto, Farhi, Gutmann, and Spielman. We show how to generalize this to a large class of hierarchical graphs in which the vertices are grouped into "supervertices" which are arranged according to a d-dimensional lattice. Supervertices can have different sizes, and edges between supervertices correspond to random connections between their constituent vertices. The hitting times of quantum walks on these graphs are related to the localization properties of zero modes in certain disordered tight binding Hamiltonians. The speedups range from superpolynomial to exponential, depending on the underlying dimension and the random graph model. We also provide concrete realizations of these hierarchical graphs, and introduce a general method for constructing graphs with efficient quantum traversal times using graph sparsification.

We incorporate discrete and continuous time Markov processes as building blocks into probabilistic graphical models with latent and observed variables. We introduce the automatic Backward Filtering Forward Guiding (BFFG) paradigm (Mider et al., 2021) for programmable inference on latent states and model parameters. Our starting point is a generative model, a forward description of the probabilistic process dynamics. We backpropagate the information provided by observations through the model to transform the generative (forward) model into a pre-conditional model guided by the data. It approximates the actual conditional model with known likelihood-ratio between the two. The backward filter and the forward change of measure are suitable to be incorporated into a probabilistic programming context because they can be formulated as a set of transformation rules. The guided generative model can be incorporated in different approaches to efficiently sample latent states and parameters conditional on observations. We show applicability in a variety of settings, including Markov chains with discrete state space, interacting particle systems, state space models, branching diffusions and Gamma processes.

Recent progress has pushed AI frontiers from pattern recognition tasks toward problems that require step by step, System2 style reasoning, especially with large language models. Yet, unlike learning, where generalization and out of distribution (OoD) evaluation concepts are well formalized, there is no clear, consistent definition or metric for reasoning ability. We propose Complexity Out of Distribution (Complexity OoD) generalization as a framework and problem setting to define and measure reasoning. A model exhibits Complexity OoD generalization when it maintains performance on test instances whose minimal required solution complexity, either representational (richer solution structure) or computational (more reasoning steps/program length), exceeds that of all training examples. We formalize complexity via solution description Kolmogorov complexity and operational proxies (e.g., object/relation counts; reasoning step counts), clarifying how Complexity OoD differs from length and compositional OoD. This lens unifies learning and reasoning: many cases solvable with System1 like processing at low complexity become System2 like under complexity pressure, while System2 can be viewed as generalization over solution structures. We translate this perspective into practice with recommendations for operationalizing Complexity OoD across the stack: incorporating complexity into benchmark and evaluation metric design, rethinking supervision to target solution traces, seeking and designing inductive biases for Complexity OoD generalization, addressing learning to reason spillovers such as spurious shortcuts, semantic robustness, catastrophic forgetting, and step wise calibration. Because Complexity OoD cannot be solved by scaling data alone, progress toward robust reasoning will require architectures and training regimes that explicitly model and allocate computation with respect to complexity.

We study the fractal structure of language, aiming to provide a precise formalism for quantifying properties that may have been previously suspected but not formally shown. We establish that language is: (1) self-similar, exhibiting complexities at all levels of granularity, with no particular characteristic context length, and (2) long-range dependent (LRD), with a Hurst parameter of approximately H=0.70. Based on these findings, we argue that short-term patterns/dependencies in language, such as in paragraphs, mirror the patterns/dependencies over larger scopes, like entire documents. This may shed some light on how next-token prediction can lead to a comprehension of the structure of text at multiple levels of granularity, from words and clauses to broader contexts and intents. We also demonstrate that fractal parameters improve upon perplexity-based bits-per-byte (BPB) in predicting downstream performance. We hope these findings offer a fresh perspective on language and the mechanisms underlying the success of LLMs.

Grokking, i.e., test performance keeps improving long after training loss converged, has been recently witnessed in neural network training, making the mechanism of generalization and other emerging capabilities such as reasoning mysterious. While prior studies usually train small models on a few toy or highly-specific tasks for thousands of epochs, we conduct the first study of grokking on checkpoints during one-pass pretraining of a 7B large language model (LLM), i.e., OLMoE. We compute the training loss and evaluate generalization on diverse benchmark tasks, including math reasoning, code generation, and commonsense/domain-specific knowledge retrieval tasks. Our study, for the first time, verifies that grokking still happens in the pretraining of large-scale foundation models, though different data may enter grokking stages asynchronously. We further demystify grokking's "emergence of generalization" by investigating LLM internal dynamics. Specifically, we find that training samples' pathways (i.e., expert choices across layers) evolve from random, instance-specific to more structured and shareable between samples during grokking. Also, the complexity of a sample's pathway reduces despite the converged loss. These indicate a memorization-to-generalization conversion, providing a mechanistic explanation of delayed generalization. In the study, we develop two novel metrics to quantify pathway distance and the complexity of a single pathway. We show their ability to predict the generalization improvement on diverse downstream tasks. They are efficient, simple to compute and solely dependent on training data. Hence, they have practical value for pretraining, enabling us to monitor the generalization performance without finetuning and test. Theoretically, we show that more structured pathways reduce model complexity and improve the generalization bound.

In this paper, we investigate a problem of actively learning threshold in latent space, where the unknown reward g(gamma, v) depends on the proposed threshold gamma and latent value v and it can be only achieved if the threshold is lower than or equal to the unknown latent value. This problem has broad applications in practical scenarios, e.g., reserve price optimization in online auctions, online task assignments in crowdsourcing, setting recruiting bars in hiring, etc. We first characterize the query complexity of learning a threshold with the expected reward at most epsilon smaller than the optimum and prove that the number of queries needed can be infinitely large even when g(gamma, v) is monotone with respect to both gamma and v. On the positive side, we provide a tight query complexity Theta(1/epsilon^3) when g is monotone and the CDF of value distribution is Lipschitz. Moreover, we show a tight Theta(1/epsilon^3) query complexity can be achieved as long as g satisfies one-sided Lipschitzness, which provides a complete characterization for this problem. Finally, we extend this model to an online learning setting and demonstrate a tight Theta(T^{2/3}) regret bound using continuous-arm bandit techniques and the aforementioned query complexity results.

The colossal parameters and computational overhead of Large Language Models (LLMs) challenge their real-world applications. Network pruning, which targets unstructured or structured sparsity by removing redundant parameters, has recently been explored for LLM acceleration. Existing LLM pruning works focus on unstructured pruning, which typically requires special hardware support for a practical speed-up. In contrast, structured pruning can reduce latency on general devices. However, it remains a challenge to perform structured pruning efficiently and maintain performance, especially at high sparsity ratios. To this end, we introduce an efficient structured pruning framework named CFSP, which leverages both Coarse (interblock) and Fine-grained (intrablock) activation information as an importance criterion to guide pruning. The pruning is highly efficient, as it only requires one forward pass to compute feature activations. Specifically, we first allocate the sparsity budget across blocks based on their importance and then retain important weights within each block. In addition, we introduce a recovery fine-tuning strategy that adaptively allocates training overhead based on coarse-grained importance to further improve performance. Experimental results demonstrate that CFSP outperforms existing methods on diverse models across various sparsity budgets. Our code will be available at https://github.com/wyxscir/CFSP.

Distribution shift (e.g., task or domain shift) in continual learning (CL) usually results in catastrophic forgetting of neural networks. Although it can be alleviated by repeatedly replaying buffered data, the every-step replay is time-consuming. In this paper, we study which modules in neural networks are more prone to forgetting by investigating their training dynamics during CL. Our proposed metrics show that only a few modules are more task-specific and sensitively alter between tasks, while others can be shared across tasks as common knowledge. Hence, we attribute forgetting mainly to the former and find that finetuning them only on a small buffer at the end of any CL method can bring non-trivial improvement. Due to the small number of finetuned parameters, such ``Forgetting Prioritized Finetuning (FPF)'' is efficient in computation. We further propose a more efficient and simpler method that entirely removes the every-step replay and replaces them by only k-times of FPF periodically triggered during CL. Surprisingly, this ``k-FPF'' performs comparably to FPF and outperforms the SOTA CL methods but significantly reduces their computational overhead and cost. In experiments on several benchmarks of class- and domain-incremental CL, FPF consistently improves existing CL methods by a large margin, and k-FPF further excels in efficiency without degrading the accuracy. We also empirically studied the impact of buffer size, epochs per task, and finetuning modules on the cost and accuracy of our methods.

In recent years, deep network pruning has attracted significant attention in order to enable the rapid deployment of AI into small devices with computation and memory constraints. Pruning is often achieved by dropping redundant weights, neurons, or layers of a deep network while attempting to retain a comparable test performance. Many deep pruning algorithms have been proposed with impressive empirical success. However, existing approaches lack a quantifiable measure to estimate the compressibility of a sub-network during each pruning iteration and thus may under-prune or over-prune the model. In this work, we propose PQ Index (PQI) to measure the potential compressibility of deep neural networks and use this to develop a Sparsity-informed Adaptive Pruning (SAP) algorithm. Our extensive experiments corroborate the hypothesis that for a generic pruning procedure, PQI decreases first when a large model is being effectively regularized and then increases when its compressibility reaches a limit that appears to correspond to the beginning of underfitting. Subsequently, PQI decreases again when the model collapse and significant deterioration in the performance of the model start to occur. Additionally, our experiments demonstrate that the proposed adaptive pruning algorithm with proper choice of hyper-parameters is superior to the iterative pruning algorithms such as the lottery ticket-based pruning methods, in terms of both compression efficiency and robustness.

Large Language Models (LLMs) based on the pre-trained fine-tuning paradigm have become pivotal in solving natural language processing tasks, consistently achieving state-of-the-art performance. Nevertheless, the theoretical understanding of how model complexity influences fine-tuning performance remains challenging and has not been well explored yet. In this paper, we focus on autoregressive LLMs and propose to employ Hidden Markov Models (HMMs) to model them. Based on the HMM modeling, we investigate the relationship between model complexity and the generalization capability in downstream tasks. Specifically, we consider a popular tuning paradigm for downstream tasks, head tuning, where all pre-trained parameters are frozen and only individual heads are trained atop pre-trained LLMs. Our theoretical analysis reveals that the risk initially increases and then decreases with rising model complexity, showcasing a "double descent" phenomenon. In this case, the initial "descent" is degenerate, signifying that the "sweet spot" where bias and variance are balanced occurs when the model size is zero. Obtaining the presented in this study conclusion confronts several challenges, primarily revolving around effectively modeling autoregressive LLMs and downstream tasks, as well as conducting a comprehensive risk analysis for multivariate regression. Our research is substantiated by experiments conducted on data generated from HMMs, which provided empirical support and alignment with our theoretical insights.

The k-Coloring problem on hereditary graph classes has been a deeply researched problem over the last decade. A hereditary graph class is characterized by a (possibly infinite) list of minimal forbidden induced subgraphs. We say that a graph is (H_1,H_2,ldots)-free if it does not contain any of H_1,H_2,ldots as induced subgraphs. The complexity landscape of the problem remains unclear even when restricting to the case k=4 and classes defined by a few forbidden induced subgraphs. While the case of only one forbidden induced subgraph has been completely resolved lately, the complexity when considering two forbidden induced subgraphs still has a couple of unknown cases. In particular, 4-Coloring on (P_6,C_3)-free graphs is polynomial while it is NP-hard on (P_{22},C_3)-free graphs. We provide a reduction showing NP-completeness of 4-Coloring on (P_t,C_3)-free graphs for 19leq tleq 21, thus constricting the gap of cases whose complexity remains unknown. Our proof includes a computer search ensuring that the graph family obtained through the reduction is indeed P_{19}-free.

Block coordinate descent (BCD) methods are widely used for large-scale numerical optimization because of their cheap iteration costs, low memory requirements, amenability to parallelization, and ability to exploit problem structure. Three main algorithmic choices influence the performance of BCD methods: the block partitioning strategy, the block selection rule, and the block update rule. In this paper we explore all three of these building blocks and propose variations for each that can significantly improve the progress made by each BCD iteration. We (i) propose new greedy block-selection strategies that guarantee more progress per iteration than the Gauss-Southwell rule; (ii) explore practical issues like how to implement the new rules when using "variable" blocks; (iii) explore the use of message-passing to compute matrix or Newton updates efficiently on huge blocks for problems with sparse dependencies between variables; and (iv) consider optimal active manifold identification, which leads to bounds on the "active-set complexity" of BCD methods and leads to superlinear convergence for certain problems with sparse solutions (and in some cases finite termination at an optimal solution). We support all of our findings with numerical results for the classic machine learning problems of least squares, logistic regression, multi-class logistic regression, label propagation, and L1-regularization.

As large language models (LLMs) scale up, accuracy improves, but the autoregressive (AR) nature of decoding increases latency since each token requires a serial forward pass. Speculative decoding addresses this by employing a fast drafter to propose multi-token drafts, which are then verified in parallel by the target model. However, many deployments still rely on AR drafters, where sequential passes limit wall-clock gains. We revisit the drafting stage and present DiffuSpec, a training-free drop-in framework that uses a pretrained diffusion language model (DLM) to produce multi-token drafts in a single forward pass, while remaining compatible with standard AR verifiers. Because DLM drafts are generated under bidirectional conditioning, parallel per-position candidates form a token lattice in which the locally highest-probability token at each position need not form a causal left-to-right path. Moreover, DLM drafting requires pre-specifying a draft length, inducing a speed-quality trade-off. To address these challenges, we introduce two practical components: (i) a causal-consistency path search (CPS) over this lattice that extracts a left-to-right path aligned with AR verification; and (ii) an adaptive draft-length (ADL) controller that adjusts next proposal size based on recent acceptance feedback and realized generated length. Across benchmarks, DiffuSpec yields up to 3x wall-clock speedup, establishing diffusion-based drafting as a robust alternative to autoregressive drafters for speculative decoding.

Invertible convolutions have been an essential element for building expressive normalizing flow-based generative models since their introduction in Glow. Several attempts have been made to design invertible k times k convolutions that are efficient in training and sampling passes. Though these attempts have improved the expressivity and sampling efficiency, they severely lagged behind Glow which used only 1 times 1 convolutions in terms of sampling time. Also, many of the approaches mask a large number of parameters of the underlying convolution, resulting in lower expressivity on a fixed run-time budget. We propose a k times k convolutional layer and Deep Normalizing Flow architecture which i.) has a fast parallel inversion algorithm with running time O(n k^2) (n is height and width of the input image and k is kernel size), ii.) masks the minimal amount of learnable parameters in a layer. iii.) gives better forward pass and sampling times comparable to other k times k convolution-based models on real-world benchmarks. We provide an implementation of the proposed parallel algorithm for sampling using our invertible convolutions on GPUs. Benchmarks on CIFAR-10, ImageNet, and CelebA datasets show comparable performance to previous works regarding bits per dimension while significantly improving the sampling time.

This is a handbook of simple proofs of the convergence of gradient and stochastic gradient descent type methods. We consider functions that are Lipschitz, smooth, convex, strongly convex, and/or Polyak-{\L}ojasiewicz functions. Our focus is on ``good proofs'' that are also simple. Each section can be consulted separately. We start with proofs of gradient descent, then on stochastic variants, including minibatching and momentum. Then move on to nonsmooth problems with the subgradient method, the proximal gradient descent and their stochastic variants. Our focus is on global convergence rates and complexity rates. Some slightly less common proofs found here include that of SGD (Stochastic gradient descent) with a proximal step, with momentum, and with mini-batching without replacement.

Recent generations of language models have introduced Large Reasoning Models (LRMs) that generate detailed thinking processes before providing answers. While these models demonstrate improved performance on reasoning benchmarks, their fundamental capabilities, scaling properties, and limitations remain insufficiently understood. Current evaluations primarily focus on established math and coding benchmarks, emphasizing final answer accuracy. However, this evaluation paradigm often suffers from contamination and does not provide insights into the reasoning traces. In this work, we systematically investigate these gaps with the help of controllable puzzle environments that allow precise manipulation of complexity while maintaining consistent logical structures. This setup enables the analysis of not only final answers but also the internal reasoning traces, offering insights into how LRMs think. Through extensive experiments, we show that LRMs face a complete accuracy collapse beyond certain complexities. Moreover, they exhibit a counterintuitive scaling limit: their reasoning effort increases with problem complexity up to a point, then declines despite having remaining token budget. By comparing LRMs with their standard LLM counterparts under same inference compute, we identify three performance regimes: (1) low-complexity tasks where standard models outperform LRMs, (2) medium-complexity tasks where LRMs demonstrates advantage, and (3) high-complexity tasks where both models face complete collapse. We found that LRMs have limitations in exact computation: they fail to use explicit algorithms and reason inconsistently across scales. We also investigate the reasoning traces in more depth, studying the patterns of explored solutions and analyzing the models' computational behavior, shedding light on their strengths, limitations, and raising questions about their reasoning capabilities.

Despite high benchmark scores, Large Language Models (LLMs) often fail simple problem, raising a critical question: Do LLMs learn mathematical principles or merely memorize patterns? Rather than designing increasingly complex benchmarks like recent works, we investigate this using elementary two-integer addition (0 to 2^{64}), probing two core properties: commutativity (A+B=B+A) and compositional generalization (via isomorphic symbolic mappings, e.g., 7 rightarrow y). While state-of-the-art LLMs achieve 73.8-99.8\% accuracy on numerical addition, performance collapses to leq7.5\% under symbolic mapping, indicating failure to generalize learned rules. Non-monotonic performance scaling with digit count and frequent commutativity violations (over 1,700 cases of A+B neq B+A) further support this. Explicitly providing addition rules degrades performance by 81.2\% on average, while self-explanation maintains baseline accuracy, suggesting LLM arithmetic processing is misaligned with human-defined principles. Our findings indicate current LLMs rely on memory pattern over genuine rule learning, highlighting architectural limitations and the need for new approaches to achieve true mathematical reasoning.

We introduce Functional Diffusion Processes (FDPs), which generalize score-based diffusion models to infinite-dimensional function spaces. FDPs require a new mathematical framework to describe the forward and backward dynamics, and several extensions to derive practical training objectives. These include infinite-dimensional versions of Girsanov theorem, in order to be able to compute an ELBO, and of the sampling theorem, in order to guarantee that functional evaluations in a countable set of points are equivalent to infinite-dimensional functions. We use FDPs to build a new breed of generative models in function spaces, which do not require specialized network architectures, and that can work with any kind of continuous data. Our results on real data show that FDPs achieve high-quality image generation, using a simple MLP architecture with orders of magnitude fewer parameters than existing diffusion models.

We study the autonomous exploration (AX) problem proposed by Lim & Auer (2012). In this setting, the objective is to discover a set of epsilon-optimal policies reaching a set S_L^{rightarrow} of incrementally L-controllable states. We introduce a novel layered decomposition of the set of incrementally L-controllable states that is based on the iterative application of a state-expansion operator. We leverage these results to design Layered Autonomous Exploration (LAE), a novel algorithm for AX that attains a sample complexity of mathcal{O}(LS^{rightarrow}_{L(1+epsilon)}Gamma_{L(1+epsilon)} A ln^{12}(S^{rightarrow}_{L(1+epsilon)})/epsilon^2), where S^{rightarrow}_{L(1+epsilon)} is the number of states that are incrementally L(1+epsilon)-controllable, A is the number of actions, and Gamma_{L(1+epsilon)} is the branching factor of the transitions over such states. LAE improves over the algorithm of Tarbouriech et al. (2020a) by a factor of L^2 and it is the first algorithm for AX that works in a countably-infinite state space. Moreover, we show that, under a certain identifiability assumption, LAE achieves minimax-optimal sample complexity of mathcal{O}(LS^{rightarrow}_{L}Aln^{12}(S^{rightarrow}_{L})/epsilon^2), outperforming existing algorithms and matching for the first time the lower bound proved by Cai et al. (2022) up to logarithmic factors.

Incrementally fine-tuning foundational models on new tasks or domains is now the de facto approach in NLP. A known pitfall of this approach is the catastrophic forgetting of prior knowledge that happens during fine-tuning. A common approach to alleviate such forgetting is to rehearse samples from prior tasks during fine-tuning. Several existing works assume a fixed memory buffer to store prior task examples, while relying on inferences (forward passes) with the model at hand for choosing examples for rehearsal from the buffer. However, given the increasing computational cost of model inference, and decreasing cost of data storage, we focus on the setting to rehearse samples with a fixed computational budget instead of a fixed memory budget. We propose a sampling scheme, \bf mix-cd, that prioritizes rehearsal of ``collateral damage'' samples, which are samples predicted correctly by the prior model but forgotten by the incrementally tuned one. The crux of our scheme is a procedure to efficiently estimate the density of collateral damage samples without incurring additional model inferences. Our approach is computationally efficient, easy to implement, and outperforms several leading continual learning methods in compute-constrained settings. All the code will be publicly available at https://github.com/jybai/mix-cd-rehearsal.

We introduce a new family of physics-inspired generative models termed PFGM++ that unifies diffusion models and Poisson Flow Generative Models (PFGM). These models realize generative trajectories for N dimensional data by embedding paths in N{+}D dimensional space while still controlling the progression with a simple scalar norm of the D additional variables. The new models reduce to PFGM when D{=}1 and to diffusion models when D{to}infty. The flexibility of choosing D allows us to trade off robustness against rigidity as increasing D results in more concentrated coupling between the data and the additional variable norms. We dispense with the biased large batch field targets used in PFGM and instead provide an unbiased perturbation-based objective similar to diffusion models. To explore different choices of D, we provide a direct alignment method for transferring well-tuned hyperparameters from diffusion models (D{to} infty) to any finite D values. Our experiments show that models with finite D can be superior to previous state-of-the-art diffusion models on CIFAR-10/FFHQ 64{times}64 datasets, with FID scores of 1.91/2.43 when D{=}2048/128. In class-conditional setting, D{=}2048 yields current state-of-the-art FID of 1.74 on CIFAR-10. In addition, we demonstrate that models with smaller D exhibit improved robustness against modeling errors. Code is available at https://github.com/Newbeeer/pfgmpp

Variational inference (VI) seeks to approximate a target distribution pi by an element of a tractable family of distributions. Of key interest in statistics and machine learning is Gaussian VI, which approximates pi by minimizing the Kullback-Leibler (KL) divergence to pi over the space of Gaussians. In this work, we develop the (Stochastic) Forward-Backward Gaussian Variational Inference (FB-GVI) algorithm to solve Gaussian VI. Our approach exploits the composite structure of the KL divergence, which can be written as the sum of a smooth term (the potential) and a non-smooth term (the entropy) over the Bures-Wasserstein (BW) space of Gaussians endowed with the Wasserstein distance. For our proposed algorithm, we obtain state-of-the-art convergence guarantees when pi is log-smooth and log-concave, as well as the first convergence guarantees to first-order stationary solutions when pi is only log-smooth.

This work addresses image restoration tasks through the lens of inverse problems using unpaired datasets. In contrast to traditional approaches -- which typically assume full knowledge of the forward model or access to paired degraded and ground-truth images -- the proposed method operates under minimal assumptions and relies only on small, unpaired datasets. This makes it particularly well-suited for real-world scenarios, where the forward model is often unknown or misspecified, and collecting paired data is costly or infeasible. The method leverages conditional flow matching to model the distribution of degraded observations, while simultaneously learning the forward model via a distribution-matching loss that arises naturally from the framework. Empirically, it outperforms both single-image blind and unsupervised approaches on deblurring and non-uniform point spread function (PSF) calibration tasks. It also matches state-of-the-art performance on blind super-resolution. We also showcase the effectiveness of our method with a proof of concept for lens calibration: a real-world application traditionally requiring time-consuming experiments and specialized equipment. In contrast, our approach achieves this with minimal data acquisition effort.