Daily Papers

The Reinforcement Learning (RL) building blocks, i.e. Q-functions and policy networks, usually take elements from the cartesian product of two domains as input. In particular, the input of the Q-function is both the state and the action, and in multi-task problems (Meta-RL) the policy can take a state and a context. Standard architectures tend to ignore these variables' underlying interpretations and simply concatenate their features into a single vector. In this work, we argue that this choice may lead to poor gradient estimation in actor-critic algorithms and high variance learning steps in Meta-RL algorithms. To consider the interaction between the input variables, we suggest using a Hypernetwork architecture where a primary network determines the weights of a conditional dynamic network. We show that this approach improves the gradient approximation and reduces the learning step variance, which both accelerates learning and improves the final performance. We demonstrate a consistent improvement across different locomotion tasks and different algorithms both in RL (TD3 and SAC) and in Meta-RL (MAML and PEARL).

Recent innovations on hardware (e.g. Nvidia A100) have motivated learning N:M structured sparsity masks from scratch for fast model inference. However, state-of-the-art learning recipes in this regime (e.g. SR-STE) are proposed for non-adaptive optimizers like momentum SGD, while incurring non-trivial accuracy drop for Adam-trained models like attention-based LLMs. In this paper, we first demonstrate such gap origins from poorly estimated second moment (i.e. variance) in Adam states given by the masked weights. We conjecture that learning N:M masks with Adam should take the critical regime of variance estimation into account. In light of this, we propose STEP, an Adam-aware recipe that learns N:M masks with two phases: first, STEP calculates a reliable variance estimate (precondition phase) and subsequently, the variance remains fixed and is used as a precondition to learn N:M masks (mask-learning phase). STEP automatically identifies the switching point of two phases by dynamically sampling variance changes over the training trajectory and testing the sample concentration. Empirically, we evaluate STEP and other baselines such as ASP and SR-STE on multiple tasks including CIFAR classification, machine translation and LLM fine-tuning (BERT-Base, GPT-2). We show STEP mitigates the accuracy drop of baseline recipes and is robust to aggressive structured sparsity ratios.

Variance reduction (VR) techniques have contributed significantly to accelerating learning with massive datasets in the smooth and strongly convex setting (Schmidt et al., 2017; Johnson & Zhang, 2013; Roux et al., 2012). However, such techniques have not yet met the same success in the realm of large-scale deep learning due to various factors such as the use of data augmentation or regularization methods like dropout (Defazio & Bottou, 2019). This challenge has recently motivated the design of novel variance reduction techniques tailored explicitly for deep learning (Arnold et al., 2019; Ma & Yarats, 2018). This work is an additional step in this direction. In particular, we exploit the ubiquitous clustering structure of rich datasets used in deep learning to design a family of scalable variance reduced optimization procedures by combining existing optimizers (e.g., SGD+Momentum, Quasi Hyperbolic Momentum, Implicit Gradient Transport) with a multi-momentum strategy (Yuan et al., 2019). Our proposal leads to faster convergence than vanilla methods on standard benchmark datasets (e.g., CIFAR and ImageNet). It is robust to label noise and amenable to distributed optimization. We provide a parallel implementation in JAX.

Diffusion-based imitation learning improves Behavioral Cloning (BC) on multi-modal decision-making, but comes at the cost of significantly slower inference due to the recursion in the diffusion process. It urges us to design efficient policy generators while keeping the ability to generate diverse actions. To address this challenge, we propose AdaFlow, an imitation learning framework based on flow-based generative modeling. AdaFlow represents the policy with state-conditioned ordinary differential equations (ODEs), which are known as probability flows. We reveal an intriguing connection between the conditional variance of their training loss and the discretization error of the ODEs. With this insight, we propose a variance-adaptive ODE solver that can adjust its step size in the inference stage, making AdaFlow an adaptive decision-maker, offering rapid inference without sacrificing diversity. Interestingly, it automatically reduces to a one-step generator when the action distribution is uni-modal. Our comprehensive empirical evaluation shows that AdaFlow achieves high performance with fast inference speed.

Self-tuning algorithms that adapt the learning process online encourage more effective and robust learning. Among all the methods available, meta-gradients have emerged as a promising approach. They leverage the differentiability of the learning rule with respect to some hyper-parameters to adapt them in an online fashion. Although meta-gradients can be accumulated over multiple learning steps to avoid myopic updates, this is rarely used in practice. In this work, we demonstrate that whilst multi-step meta-gradients do provide a better learning signal in expectation, this comes at the cost of a significant increase in variance, hindering performance. In the light of this analysis, we introduce a novel method mixing multiple inner steps that enjoys a more accurate and robust meta-gradient signal, essentially trading off bias and variance in meta-gradient estimation. When applied to the Snake game, the mixing meta-gradient algorithm can cut the variance by a factor of 3 while achieving similar or higher performance.

The vast majority of successful deep neural networks are trained using variants of stochastic gradient descent (SGD) algorithms. Recent attempts to improve SGD can be broadly categorized into two approaches: (1) adaptive learning rate schemes, such as AdaGrad and Adam, and (2) accelerated schemes, such as heavy-ball and Nesterov momentum. In this paper, we propose a new optimization algorithm, Lookahead, that is orthogonal to these previous approaches and iteratively updates two sets of weights. Intuitively, the algorithm chooses a search direction by looking ahead at the sequence of fast weights generated by another optimizer. We show that Lookahead improves the learning stability and lowers the variance of its inner optimizer with negligible computation and memory cost. We empirically demonstrate Lookahead can significantly improve the performance of SGD and Adam, even with their default hyperparameter settings on ImageNet, CIFAR-10/100, neural machine translation, and Penn Treebank.

Despite advances in diffusion-based text-to-music (TTM) methods, efficient, high-quality generation remains a challenge. We introduce Presto!, an approach to inference acceleration for score-based diffusion transformers via reducing both sampling steps and cost per step. To reduce steps, we develop a new score-based distribution matching distillation (DMD) method for the EDM-family of diffusion models, the first GAN-based distillation method for TTM. To reduce the cost per step, we develop a simple, but powerful improvement to a recent layer distillation method that improves learning via better preserving hidden state variance. Finally, we combine our step and layer distillation methods together for a dual-faceted approach. We evaluate our step and layer distillation methods independently and show each yield best-in-class performance. Our combined distillation method can generate high-quality outputs with improved diversity, accelerating our base model by 10-18x (230/435ms latency for 32 second mono/stereo 44.1kHz, 15x faster than comparable SOTA) -- the fastest high-quality TTM to our knowledge. Sound examples can be found at https://presto-music.github.io/web/.

In modern recommendation systems, the standard pipeline involves training machine learning models on historical data to predict user behaviors and improve recommendations continuously. However, these data training loops can introduce interference in A/B tests, where data generated by control and treatment algorithms, potentially with different distributions, are combined. To address these challenges, we introduce a novel approach called weighted training. This approach entails training a model to predict the probability of each data point appearing in either the treatment or control data and subsequently applying weighted losses during model training. We demonstrate that this approach achieves the least variance among all estimators that do not cause shifts in the training distributions. Through simulation studies, we demonstrate the lower bias and variance of our approach compared to other methods.

Typical neural network trainings have substantial variance in test-set performance between repeated runs, impeding hyperparameter comparison and training reproducibility. We present the following results towards understanding this variation. (1) Despite having significant variance on their test-sets, we demonstrate that standard CIFAR-10 and ImageNet trainings have very little variance in their performance on the test-distributions from which those test-sets are sampled, suggesting that variance is less of a practical issue than previously thought. (2) We present a simplifying statistical assumption which closely approximates the structure of the test-set accuracy distribution. (3) We argue that test-set variance is inevitable in the following two senses. First, we show that variance is largely caused by high sensitivity of the training process to initial conditions, rather than by specific sources of randomness like the data order and augmentations. Second, we prove that variance is unavoidable given the observation that ensembles of trained networks are well-calibrated. (4) We conduct preliminary studies of distribution-shift, fine-tuning, data augmentation and learning rate through the lens of variance between runs.

We develop task scaling laws and model ladders to predict the individual task performance of pretrained language models (LMs) in the overtrained setting. Standard power laws for language modeling loss cannot accurately model task performance. Therefore, we leverage a two-step prediction approach: first use model and data size to predict a task-specific loss, and then use this task loss to predict task performance. We train a set of small-scale "ladder" models, collect data points to fit the parameterized functions of the two prediction steps, and make predictions for two target models: a 7B model trained to 4T tokens and a 13B model trained to 5T tokens. Training the ladder models only costs 1% of the compute used for the target models. On four multiple-choice tasks written in ranked classification format, we can predict the accuracy of both target models within 2 points of absolute error. We have higher prediction error on four other tasks (average absolute error 6.9) and find that these are often tasks with higher variance in task metrics. We also find that using less compute to train fewer ladder models tends to deteriorate predictions. Finally, we empirically show that our design choices and the two-step approach lead to superior performance in establishing scaling laws.

Most bandit algorithms assume that the reward variances or their upper bounds are known, and that they are the same for all arms. This naturally leads to suboptimal performance and higher regret due to variance overestimation. On the other hand, underestimated reward variances may lead to linear regret due to committing early to a suboptimal arm. This motivated prior works on variance-adaptive frequentist algorithms, which have strong instance-dependent regret bounds but cannot incorporate prior knowledge on reward variances. We lay foundations for the Bayesian setting, which incorporates prior knowledge. This results in lower regret in practice, due to using the prior in the algorithm design, and also improved regret guarantees. Specifically, we study Gaussian bandits with {unknown heterogeneous reward variances}, and develop a Thompson sampling algorithm with prior-dependent Bayes regret bounds. We achieve lower regret with lower reward variances and more informative priors on them, which is precisely why we pay only for what is uncertain. This is the first result of its kind. Finally, we corroborate our theory with extensive experiments, which show the superiority of our variance-adaptive Bayesian algorithm over prior frequentist approaches. We also show that our approach is robust to model misspecification and can be applied with estimated priors.

Evaluation benchmarks are the cornerstone of measuring capabilities of large language models (LLMs), as well as driving progress in said capabilities. Originally designed to make claims about capabilities (or lack thereof) in fully pretrained models, evaluation benchmarks are now also extensively used to decide between various training choices. Despite this widespread usage, we rarely quantify the variance in our evaluation benchmarks, which dictates whether differences in performance are meaningful. Here, we define and measure a range of metrics geared towards measuring variance in evaluation benchmarks, including seed variance across initialisations, and monotonicity during training. By studying a large number of models -- both openly available and pretrained from scratch -- we provide empirical estimates for a variety of variance metrics, with considerations and recommendations for practitioners. We also evaluate the utility and tradeoffs of continuous versus discrete performance measures and explore options for better understanding and reducing this variance. We find that simple changes, such as framing choice tasks (like MMLU) as completion tasks, can often reduce variance for smaller scale (sim7B) models, while more involved methods inspired from human testing literature (such as item analysis and item response theory) struggle to meaningfully reduce variance. Overall, our work provides insights into variance in evaluation benchmarks, suggests LM-specific techniques to reduce variance, and more generally encourages practitioners to carefully factor in variance when comparing models.

In trajectory forecasting tasks for traffic, future output trajectories can be computed by advancing the ego vehicle's state with predicted actions according to a kinematics model. By unrolling predicted trajectories via time integration and models of kinematic dynamics, predicted trajectories should not only be kinematically feasible but also relate uncertainty from one timestep to the next. While current works in probabilistic prediction do incorporate kinematic priors for mean trajectory prediction, variance is often left as a learnable parameter, despite uncertainty in one time step being inextricably tied to uncertainty in the previous time step. In this paper, we show simple and differentiable analytical approximations describing the relationship between variance at one timestep and that at the next with the kinematic bicycle model. These approximations can be easily incorporated with negligible additional overhead into any existing trajectory forecasting framework utilizing probabilistic predictions, whether it is autoregressive or one-shot prediction. In our results, we find that encoding the relationship between variance across timesteps works especially well in unoptimal settings, such as with small or noisy datasets. We observe up to a 50% performance boost in partial dataset settings and up to an 8% performance boost in large-scale learning compared to previous kinematic prediction methods on SOTA trajectory forecasting architectures out-of-the-box, with no fine-tuning. In this paper, we show four analytical formulations of probabilistic kinematic priors which can be used for any Gaussian Mixture Model (GMM)-based deep learning models, quantify the error bound on linear approximations applied during trajectory unrolling, and show results to evaluate each formulation in trajectory forecasting.

Large reasoning models (LRMs) generate intermediate reasoning traces before producing final answers, yielding strong gains on multi-step and mathematical tasks. Yet aligning LRMs with human preferences, a crucial prerequisite for model deployment, remains underexplored. The statistically correct objective for preference alignment requires marginalizing over reasoning traces, but this computation is intractable in practice. A common workaround optimizes a single sampled trajectory, which introduces substantial gradient variance from stochastic trace sampling. To address this challenge, we frame preference optimization for LRMs through the lens of the bias--variance trade-off and propose Bias--Variance Optimized Preference Optimization (BVPO), a simple, drop-in method that mixes two gradient estimators: a high-variance trace-based estimator and a low-variance empty-trace estimator obtained by disabling reasoning trace generation. Our theory shows that BVPO strictly reduces trace-induced variance for any nontrivial mixture, provides a closed-form choice of the mixing weight that minimizes mean-squared error relative to the true marginal gradient, and under standard smoothness and step-size conditions, tightens classical convergence bounds for stochastic gradient descent. Empirically, BVPO improves alignment over the best baseline by up to 7.8 points on AlpacaEval~2 and 6.8 points on Arena-Hard. Despite being trained only on general conversational data, BVPO also boosts reasoning performance for base models by up to 4.0 points on the average of six math reasoning benchmarks. These results identify variance from trace sampling as a key bottleneck and demonstrate that directly optimizing the bias--variance trade-off yields more stable training and stronger overall performance.

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

Sampling-based algorithms, which eliminate ''unimportant'' computations during forward and/or back propagation (BP), offer potential solutions to accelerate neural network training. However, since sampling introduces approximations to training, such algorithms may not consistently maintain accuracy across various tasks. In this work, we introduce a variance-controlled adaptive sampling (VCAS) method designed to accelerate BP. VCAS computes an unbiased stochastic gradient with fine-grained layerwise importance sampling in data dimension for activation gradient calculation and leverage score sampling in token dimension for weight gradient calculation. To preserve accuracy, we control the additional variance by learning the sample ratio jointly with model parameters during training. We assessed VCAS on multiple fine-tuning and pre-training tasks in both vision and natural language domains. On all the tasks, VCAS can preserve the original training loss trajectory and validation accuracy with an up to 73.87% FLOPs reduction of BP and 49.58% FLOPs reduction of the whole training process. The implementation is available at https://github.com/thu-ml/VCAS .

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 study Stochastic Gradient Descent with AdaGrad stepsizes: a popular adaptive (self-tuning) method for first-order stochastic optimization. Despite being well studied, existing analyses of this method suffer from various shortcomings: they either assume some knowledge of the problem parameters, impose strong global Lipschitz conditions, or fail to give bounds that hold with high probability. We provide a comprehensive analysis of this basic method without any of these limitations, in both the convex and non-convex (smooth) cases, that additionally supports a general ``affine variance'' noise model and provides sharp rates of convergence in both the low-noise and high-noise~regimes.

Understanding the gradient variance of black-box variational inference (BBVI) is a crucial step for establishing its convergence and developing algorithmic improvements. However, existing studies have yet to show that the gradient variance of BBVI satisfies the conditions used to study the convergence of stochastic gradient descent (SGD), the workhorse of BBVI. In this work, we show that BBVI satisfies a matching bound corresponding to the ABC condition used in the SGD literature when applied to smooth and quadratically-growing log-likelihoods. Our results generalize to nonlinear covariance parameterizations widely used in the practice of BBVI. Furthermore, we show that the variance of the mean-field parameterization has provably superior dimensional dependence.

Based on the weight-sharing mechanism, one-shot NAS methods train a supernet and then inherit the pre-trained weights to evaluate sub-models, largely reducing the search cost. However, several works have pointed out that the shared weights suffer from different gradient descent directions during training. And we further find that large gradient variance occurs during supernet training, which degrades the supernet ranking consistency. To mitigate this issue, we propose to explicitly minimize the gradient variance of the supernet training by jointly optimizing the sampling distributions of PAth and DAta (PA&DA). We theoretically derive the relationship between the gradient variance and the sampling distributions, and reveal that the optimal sampling probability is proportional to the normalized gradient norm of path and training data. Hence, we use the normalized gradient norm as the importance indicator for path and training data, and adopt an importance sampling strategy for the supernet training. Our method only requires negligible computation cost for optimizing the sampling distributions of path and data, but achieves lower gradient variance during supernet training and better generalization performance for the supernet, resulting in a more consistent NAS. We conduct comprehensive comparisons with other improved approaches in various search spaces. Results show that our method surpasses others with more reliable ranking performance and higher accuracy of searched architectures, showing the effectiveness of our method. Code is available at https://github.com/ShunLu91/PA-DA.

Policy-based reinforcement learning currently plays an important role in improving LLMs on mathematical reasoning tasks. However, existing rollout-based reinforcement learning methods (GRPO, DAPO, GSPO, etc.) fail to explicitly consider LLMs' learning ability for samples of different difficulty levels, which is contrary to the human cognitive process of mathematical reasoning tasks from easy to difficult. Intuitively, we find that the variance of the rollout group's reward in RLVR partly reflects the difficulty of the current sample for LLMs. Samples that are too easy or too difficult have a lower variance, while samples with moderate difficulty have a higher variance. Based on this, we propose VCRL, a curriculum reinforcement learning framework that dynamically controls the difficulty of training samples based on the variance of group rewards. Experiments on five mathematical benchmarks and two models reveal the advantages of VCRL over the current LLM RL baselines.

Dueling bandits is a prominent framework for decision-making involving preferential feedback, a valuable feature that fits various applications involving human interaction, such as ranking, information retrieval, and recommendation systems. While substantial efforts have been made to minimize the cumulative regret in dueling bandits, a notable gap in the current research is the absence of regret bounds that account for the inherent uncertainty in pairwise comparisons between the dueling arms. Intuitively, greater uncertainty suggests a higher level of difficulty in the problem. To bridge this gap, this paper studies the problem of contextual dueling bandits, where the binary comparison of dueling arms is generated from a generalized linear model (GLM). We propose a new SupLinUCB-type algorithm that enjoys computational efficiency and a variance-aware regret bound tilde Obig(dsum_{t=1^Tsigma_t^2} + dbig), where sigma_t is the variance of the pairwise comparison in round t, d is the dimension of the context vectors, and T is the time horizon. Our regret bound naturally aligns with the intuitive expectation in scenarios where the comparison is deterministic, the algorithm only suffers from an tilde O(d) regret. We perform empirical experiments on synthetic data to confirm the advantage of our method over previous variance-agnostic algorithms.

When training neural networks, it has been widely observed that a large step size is essential in stochastic gradient descent (SGD) for obtaining superior models. However, the effect of large step sizes on the success of SGD is not well understood theoretically. Several previous works have attributed this success to the stochastic noise present in SGD. However, we show through a novel set of experiments that the stochastic noise is not sufficient to explain good non-convex training, and that instead the effect of a large learning rate itself is essential for obtaining best performance.We demonstrate the same effects also in the noise-less case, i.e. for full-batch GD. We formally prove that GD with large step size -- on certain non-convex function classes -- follows a different trajectory than GD with a small step size, which can lead to convergence to a global minimum instead of a local one. Our settings provide a framework for future analysis which allows comparing algorithms based on behaviors that can not be observed in the traditional settings.

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

Prior-data fitted networks (PFNs) were recently proposed as a new paradigm for machine learning. Instead of training the network to an observed training set, a fixed model is pre-trained offline on small, simulated training sets from a variety of tasks. The pre-trained model is then used to infer class probabilities in-context on fresh training sets with arbitrary size and distribution. Empirically, PFNs achieve state-of-the-art performance on tasks with similar size to the ones used in pre-training. Surprisingly, their accuracy further improves when passed larger data sets during inference. This article establishes a theoretical foundation for PFNs and illuminates the statistical mechanisms governing their behavior. While PFNs are motivated by Bayesian ideas, a purely frequentistic interpretation of PFNs as pre-tuned, but untrained predictors explains their behavior. A predictor's variance vanishes if its sensitivity to individual training samples does and the bias vanishes only if it is appropriately localized around the test feature. The transformer architecture used in current PFN implementations ensures only the former. These findings shall prove useful for designing architectures with favorable empirical behavior.

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

Training deep neural networks--and more recently, large models--demands efficient and scalable optimizers. Adaptive gradient algorithms like Adam, AdamW, and their variants have been central to this task. Despite the development of numerous variance reduction algorithms in the past decade aimed at accelerating stochastic optimization in both convex and nonconvex settings, variance reduction has not found widespread success in training deep neural networks or large language models. Consequently, it has remained a less favored approach in modern AI. In this paper, to unleash the power of variance reduction for efficient training of large models, we propose a unified optimization framework, MARS (Make vAriance Reduction Shine), which reconciles preconditioned gradient methods with variance reduction via a scaled stochastic recursive momentum technique. Within our framework, we introduce three instances of MARS that leverage preconditioned gradient updates based on AdamW, Lion, and Shampoo, respectively. We also draw a connection between our algorithms and existing optimizers. Experimental results on training GPT-2 models indicate that MARS consistently outperforms AdamW by a large margin.

In this paper, we propose a dimensionless anomaly detection method for multivariate streams. Our method is independent of the unit of measurement for the different stream channels, therefore dimensionless. We first propose the variance norm, a generalisation of Mahalanobis distance to handle infinite-dimensional feature space and singular empirical covariance matrix rigorously. We then combine the variance norm with the path signature, an infinite collection of iterated integrals that provide global features of streams, to propose SigMahaKNN, a method for anomaly detection on (multivariate) streams. We show that SigMahaKNN is invariant to stream reparametrisation, stream concatenation and has a graded discrimination power depending on the truncation level of the path signature. We implement SigMahaKNN as an open-source software, and perform extensive numerical experiments, showing significantly improved anomaly detection on streams compared to isolation forest and local outlier factors in applications ranging from language analysis, hand-writing analysis, ship movement paths analysis and univariate time-series analysis.

Large multimodal reasoning models have achieved rapid progress, but their advancement is constrained by two major limitations: the absence of open, large-scale, high-quality long chain-of-thought (CoT) data, and the instability of reinforcement learning (RL) algorithms in post-training. Group Relative Policy Optimization (GRPO), the standard framework for RL fine-tuning, is prone to gradient vanishing when reward variance is low, which weakens optimization signals and impairs convergence. This work makes three contributions: (1) We propose Variance-Aware Sampling (VAS), a data selection strategy guided by Variance Promotion Score (VPS) that combines outcome variance and trajectory diversity to promote reward variance and stabilize policy optimization. (2) We release large-scale, carefully curated resources containing ~1.6M long CoT cold-start data and ~15k RL QA pairs, designed to ensure quality, difficulty, and diversity, along with a fully reproducible end-to-end training codebase. (3) We open-source a family of multimodal reasoning models in multiple scales, establishing standardized baselines for the community. Experiments across mathematical reasoning benchmarks demonstrate the effectiveness of both the curated data and the proposed VAS. Comprehensive ablation studies and analyses provide further insight into the contributions of each component. In addition, we theoretically establish that reward variance lower-bounds the expected policy gradient magnitude, with VAS serving as a practical mechanism to realize this guarantee. Our code, data, and checkpoints are available at https://github.com/LengSicong/MMR1.

Variational inference using the reparameterization trick has enabled large-scale approximate Bayesian inference in complex probabilistic models, leveraging stochastic optimization to sidestep intractable expectations. The reparameterization trick is applicable when we can simulate a random variable by applying a differentiable deterministic function on an auxiliary random variable whose distribution is fixed. For many distributions of interest (such as the gamma or Dirichlet), simulation of random variables relies on acceptance-rejection sampling. The discontinuity introduced by the accept-reject step means that standard reparameterization tricks are not applicable. We propose a new method that lets us leverage reparameterization gradients even when variables are outputs of a acceptance-rejection sampling algorithm. Our approach enables reparameterization on a larger class of variational distributions. In several studies of real and synthetic data, we show that the variance of the estimator of the gradient is significantly lower than other state-of-the-art methods. This leads to faster convergence of stochastic gradient variational inference.

Training on model-generated synthetic data is a promising approach for finetuning LLMs, but it remains unclear when it helps or hurts. In this paper, we investigate this question for math reasoning via an empirical study, followed by building a conceptual understanding of our observations. First, we find that while the typical approach of finetuning a model on synthetic correct or positive problem-solution pairs generated by capable models offers modest performance gains, sampling more correct solutions from the finetuned learner itself followed by subsequent fine-tuning on this self-generated data doubles the efficiency of the same synthetic problems. At the same time, training on model-generated positives can amplify various spurious correlations, resulting in flat or even inverse scaling trends as the amount of data increases. Surprisingly, we find that several of these issues can be addressed if we also utilize negative responses, i.e., model-generated responses that are deemed incorrect by a final answer verifier. Crucially, these negatives must be constructed such that the training can appropriately recover the utility or advantage of each intermediate step in the negative response. With this per-step scheme, we are able to attain consistent gains over only positive data, attaining performance similar to amplifying the amount of synthetic data by 8 times. We show that training on per-step negatives can help to unlearn spurious correlations in the positive data, and is equivalent to advantage-weighted reinforcement learning (RL), implying that it inherits robustness benefits of RL over imitating positive data alone.

In modern neural networks like Transformers, linear layers require significant memory to store activations during backward pass. This study proposes a memory reduction approach to perform backpropagation through linear layers. Since the gradients of linear layers are computed by matrix multiplications, we consider methods for randomized matrix multiplications and demonstrate that they require less memory with a moderate decrease of the test accuracy. Also, we investigate the variance of the gradient estimate induced by the randomized matrix multiplication. We compare this variance with the variance coming from gradient estimation based on the batch of samples. We demonstrate the benefits of the proposed method on the fine-tuning of the pre-trained RoBERTa model on GLUE tasks.

Epistemic Uncertainty is a measure of the lack of knowledge of a learner which diminishes with more evidence. While existing work focuses on using the variance of the Bayesian posterior due to parameter uncertainty as a measure of epistemic uncertainty, we argue that this does not capture the part of lack of knowledge induced by model misspecification. We discuss how the excess risk, which is the gap between the generalization error of a predictor and the Bayes predictor, is a sound measure of epistemic uncertainty which captures the effect of model misspecification. We thus propose a principled framework for directly estimating the excess risk by learning a secondary predictor for the generalization error and subtracting an estimate of aleatoric uncertainty, i.e., intrinsic unpredictability. We discuss the merits of this novel measure of epistemic uncertainty, and highlight how it differs from variance-based measures of epistemic uncertainty and addresses its major pitfall. Our framework, Direct Epistemic Uncertainty Prediction (DEUP) is particularly interesting in interactive learning environments, where the learner is allowed to acquire novel examples in each round. Through a wide set of experiments, we illustrate how existing methods in sequential model optimization can be improved with epistemic uncertainty estimates from DEUP, and how DEUP can be used to drive exploration in reinforcement learning. We also evaluate the quality of uncertainty estimates from DEUP for probabilistic image classification and predicting synergies of drug combinations.

Foundation models (FMs) are pre-trained on large-scale datasets and then fine-tuned on a downstream task for a specific application. The most successful and most commonly used fine-tuning method is to update the pre-trained weights via a low-rank adaptation (LoRA). LoRA introduces new weight matrices that are usually initialized at random with a uniform rank distribution across model weights. Recent works focus on weight-driven initialization or learning of adaptive ranks during training. Both approaches have only been investigated in isolation, resulting in slow convergence or a uniform rank distribution, in turn leading to sub-optimal performance. We propose to enhance LoRA by initializing the new weights in a data-driven manner by computing singular value decomposition on minibatches of activation vectors. Then, we initialize the LoRA matrices with the obtained right-singular vectors and re-distribute ranks among all weight matrices to explain the maximal amount of variance and continue the standard LoRA fine-tuning procedure. This results in our new method Explained Variance Adaptation (EVA). We apply EVA to a variety of fine-tuning tasks ranging from language generation and understanding to image classification and reinforcement learning. EVA exhibits faster convergence than competitors and attains the highest average score across a multitude of tasks per domain.

The abundance of instructional videos and their narrations over the Internet offers an exciting avenue for understanding procedural activities. In this work, we propose to learn video representation that encodes both action steps and their temporal ordering, based on a large-scale dataset of web instructional videos and their narrations, without using human annotations. Our method jointly learns a video representation to encode individual step concepts, and a deep probabilistic model to capture both temporal dependencies and immense individual variations in the step ordering. We empirically demonstrate that learning temporal ordering not only enables new capabilities for procedure reasoning, but also reinforces the recognition of individual steps. Our model significantly advances the state-of-the-art results on step classification (+2.8% / +3.3% on COIN / EPIC-Kitchens) and step forecasting (+7.4% on COIN). Moreover, our model attains promising results in zero-shot inference for step classification and forecasting, as well as in predicting diverse and plausible steps for incomplete procedures. Our code is available at https://github.com/facebookresearch/ProcedureVRL.

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

Recent self-supervised methods for image representation learning are based on maximizing the agreement between embedding vectors from different views of the same image. A trivial solution is obtained when the encoder outputs constant vectors. This collapse problem is often avoided through implicit biases in the learning architecture, that often lack a clear justification or interpretation. In this paper, we introduce VICReg (Variance-Invariance-Covariance Regularization), a method that explicitly avoids the collapse problem with a simple regularization term on the variance of the embeddings along each dimension individually. VICReg combines the variance term with a decorrelation mechanism based on redundancy reduction and covariance regularization, and achieves results on par with the state of the art on several downstream tasks. In addition, we show that incorporating our new variance term into other methods helps stabilize the training and leads to performance improvements.

Transfer learning with a small amount of target data is an effective and common approach to adapting a pre-trained model to distribution shifts. In some situations, target data labels may be expensive to obtain, so we may only have access to a limited number of target data points. To make the most of a very small target dataset, we propose a lightweight, sample-efficient approach that learns a diverse set of features and adapts to a target distribution by interpolating these features. Our approach, Project and Probe (Pro^2), first learns a linear projection that maps a pre-trained embedding onto orthogonal directions while being predictive of labels in the source dataset. The goal of this step is to learn a variety of predictive features, so that at least some of them remain useful after distribution shift. Pro^2 then learns a linear classifier on top of these projected features using a small target dataset. Theoretically, we find that Pro^2 results in more sample-efficient generalization by inducing a favorable bias-variance tradeoff. Our experiments on four datasets, with multiple distribution shift settings for each, show that Pro^2 improves performance by 5-15% when given limited target data compared to prior methods such as standard linear probing.

We showcase important features of the dynamics of the Stochastic Gradient Descent (SGD) in the training of neural networks. We present empirical observations that commonly used large step sizes (i) lead the iterates to jump from one side of a valley to the other causing loss stabilization, and (ii) this stabilization induces a hidden stochastic dynamics orthogonal to the bouncing directions that biases it implicitly toward sparse predictors. Furthermore, we show empirically that the longer large step sizes keep SGD high in the loss landscape valleys, the better the implicit regularization can operate and find sparse representations. Notably, no explicit regularization is used so that the regularization effect comes solely from the SGD training dynamics influenced by the step size schedule. Therefore, these observations unveil how, through the step size schedules, both gradient and noise drive together the SGD dynamics through the loss landscape of neural networks. We justify these findings theoretically through the study of simple neural network models as well as qualitative arguments inspired from stochastic processes. Finally, this analysis allows us to shed a new light on some common practice and observed phenomena when training neural networks. The code of our experiments is available at https://github.com/tml-epfl/sgd-sparse-features.

In machine learning applications, it is well known that carefully designed learning rate (step size) schedules can significantly improve the convergence of commonly used first-order optimization algorithms. Therefore how to set step size adaptively becomes an important research question. A popular and effective method is the Polyak step size, which sets step size adaptively for gradient descent or stochastic gradient descent without the need to estimate the smoothness parameter of the objective function. However, there has not been a principled way to generalize the Polyak step size for algorithms with momentum accelerations. This paper presents a general framework to set the learning rate adaptively for first-order optimization methods with momentum, motivated by the derivation of Polyak step size. It is shown that the resulting methods are much less sensitive to the choice of momentum parameter and may avoid the oscillation of the heavy-ball method on ill-conditioned problems. These adaptive step sizes are further extended to the stochastic settings, which are attractive choices for stochastic gradient descent with momentum. Our methods are demonstrated to be more effective for stochastic gradient methods than prior adaptive step size algorithms in large-scale machine learning tasks.

Variational approaches based on neural networks are showing promise for estimating mutual information (MI) between high dimensional variables. However, they can be difficult to use in practice due to poorly understood bias/variance tradeoffs. We theoretically show that, under some conditions, estimators such as MINE exhibit variance that could grow exponentially with the true amount of underlying MI. We also empirically demonstrate that existing estimators fail to satisfy basic self-consistency properties of MI, such as data processing and additivity under independence. Based on a unified perspective of variational approaches, we develop a new estimator that focuses on variance reduction. Empirical results on standard benchmark tasks demonstrate that our proposed estimator exhibits improved bias-variance trade-offs on standard benchmark tasks.

We develop a variant of the stochastic prox-linear method for minimizing the Conditional Value-at-Risk (CVaR) objective. CVaR is a risk measure focused on minimizing worst-case performance, defined as the average of the top quantile of the losses. In machine learning, such a risk measure is useful to train more robust models. Although the stochastic subgradient method (SGM) is a natural choice for minimizing the CVaR objective, we show that our stochastic prox-linear (SPL+) algorithm can better exploit the structure of the objective, while still providing a convenient closed form update. Our SPL+ method also adapts to the scaling of the loss function, which allows for easier tuning. We then specialize a general convergence theorem for SPL+ to our setting, and show that it allows for a wider selection of step sizes compared to SGM. We support this theoretical finding experimentally.

Despite having powerful reasoning and inference capabilities, Large Language Models (LLMs) still need external tools to acquire real-time information retrieval or domain-specific expertise to solve complex tasks, which is referred to as tool learning. Existing tool learning methods primarily rely on tuning with expert trajectories, focusing on token-sequence learning from a linguistic perspective. However, there are several challenges: 1) imitating static trajectories limits their ability to generalize to new tasks. 2) even expert trajectories can be suboptimal, and better solution paths may exist. In this work, we introduce StepTool, a novel step-grained reinforcement learning framework to improve tool learning in LLMs. It consists of two components: Step-grained Reward Shaping, which assigns rewards at each tool interaction based on tool invocation success and its contribution to the task, and Step-grained Optimization, which uses policy gradient methods to optimize the model in a multi-step manner. Experimental results demonstrate that StepTool significantly outperforms existing methods in multi-step, tool-based tasks, providing a robust solution for complex task environments. Codes are available at https://github.com/yuyq18/StepTool.

We study the problem of online generalized linear regression in the stochastic setting, where the label is generated from a generalized linear model with possibly unbounded additive noise. We provide a sharp analysis of the classical follow-the-regularized-leader (FTRL) algorithm to cope with the label noise. More specifically, for sigma-sub-Gaussian label noise, our analysis provides a regret upper bound of O(sigma^2 d log T) + o(log T), where d is the dimension of the input vector, T is the total number of rounds. We also prove a Omega(sigma^2dlog(T/d)) lower bound for stochastic online linear regression, which indicates that our upper bound is nearly optimal. In addition, we extend our analysis to a more refined Bernstein noise condition. As an application, we study generalized linear bandits with heteroscedastic noise and propose an algorithm based on FTRL to achieve the first variance-aware regret bound.

Scaling visual generation models is essential for real-world content creation, yet requires substantial training and computational expenses. Alternatively, test-time scaling has garnered growing attention due to resource efficiency and promising performance. In this work, we present TTS-VAR, the first general test-time scaling framework for visual auto-regressive (VAR) models, modeling the generation process as a path searching problem. To dynamically balance computational efficiency with exploration capacity, we first introduce an adaptive descending batch size schedule throughout the causal generation process. Besides, inspired by VAR's hierarchical coarse-to-fine multi-scale generation, our framework integrates two key components: (i) At coarse scales, we observe that generated tokens are hard for evaluation, possibly leading to erroneous acceptance of inferior samples or rejection of superior samples. Noticing that the coarse scales contain sufficient structural information, we propose clustering-based diversity search. It preserves structural variety through semantic feature clustering, enabling later selection on samples with higher potential. (ii) In fine scales, resampling-based potential selection prioritizes promising candidates using potential scores, which are defined as reward functions incorporating multi-scale generation history. Experiments on the powerful VAR model Infinity show a notable 8.7% GenEval score improvement (from 0.69 to 0.75). Key insights reveal that early-stage structural features effectively influence final quality, and resampling efficacy varies across generation scales. Code is available at https://github.com/ali-vilab/TTS-VAR.

Mirror descent value iteration (MDVI), an abstraction of Kullback-Leibler (KL) and entropy-regularized reinforcement learning (RL), has served as the basis for recent high-performing practical RL algorithms. However, despite the use of function approximation in practice, the theoretical understanding of MDVI has been limited to tabular Markov decision processes (MDPs). We study MDVI with linear function approximation through its sample complexity required to identify an varepsilon-optimal policy with probability 1-delta under the settings of an infinite-horizon linear MDP, generative model, and G-optimal design. We demonstrate that least-squares regression weighted by the variance of an estimated optimal value function of the next state is crucial to achieving minimax optimality. Based on this observation, we present Variance-Weighted Least-Squares MDVI (VWLS-MDVI), the first theoretical algorithm that achieves nearly minimax optimal sample complexity for infinite-horizon linear MDPs. Furthermore, we propose a practical VWLS algorithm for value-based deep RL, Deep Variance Weighting (DVW). Our experiments demonstrate that DVW improves the performance of popular value-based deep RL algorithms on a set of MinAtar benchmarks.

One technique to visualize the training of neural networks is to perform PCA on the parameters over the course of training and to project to the subspace spanned by the first few PCA components. In this paper we compare this technique to the PCA of a high dimensional random walk. We compute the eigenvalues and eigenvectors of the covariance of the trajectory and prove that in the long trajectory and high dimensional limit most of the variance is in the first few PCA components, and that the projection of the trajectory onto any subspace spanned by PCA components is a Lissajous curve. We generalize these results to a random walk with momentum and to an Ornstein-Uhlenbeck processes (i.e., a random walk in a quadratic potential) and show that in high dimensions the walk is not mean reverting, but will instead be trapped at a fixed distance from the minimum. We finally compare the distribution of PCA variances and the PCA projected training trajectories of a linear model trained on CIFAR-10 and ResNet-50-v2 trained on Imagenet and find that the distribution of PCA variances resembles a random walk with drift.

We propose a tuning-free dynamic SGD step size formula, which we call Distance over Gradients (DoG). The DoG step sizes depend on simple empirical quantities (distance from the initial point and norms of gradients) and have no ``learning rate'' parameter. Theoretically, we show that a slight variation of the DoG formula enjoys strong parameter-free convergence guarantees for stochastic convex optimization assuming only locally bounded stochastic gradients. Empirically, we consider a broad range of vision and language transfer learning tasks, and show that DoG's performance is close to that of SGD with tuned learning rate. We also propose a per-layer variant of DoG that generally outperforms tuned SGD, approaching the performance of tuned Adam. A PyTorch implementation is available at https://github.com/formll/dog

Modern ML systems ingest data aggregated from diverse sources, such as synthetic, human-annotated, and live customer traffic. Understanding which examples are important to the performance of a learning algorithm is crucial for efficient model training. Recently, a growing body of literature has given rise to various "influence scores," which use training artifacts such as model confidence or checkpointed gradients to identify important subsets of data. However, these methods have primarily been developed in computer vision settings, and it remains unclear how well they generalize to language-based tasks using pretrained models. In this paper, we explore the applicability of influence scores in language classification tasks. We evaluate a diverse subset of these scores on the SNLI dataset by quantifying accuracy changes in response to pruning training data through random and influence-score-based sampling. We then stress-test one of the scores -- "variance of gradients" (VoG) from Agarwal et al. (2022) -- in an NLU model stack that was exposed to dynamic user speech patterns in a voice assistant type of setting. Our experiments demonstrate that in many cases, encoder-based language models can be finetuned on roughly 50% of the original data without degradation in performance metrics. Along the way, we summarize lessons learned from applying out-of-the-box implementations of influence scores, quantify the effects of noisy and class-imbalanced data, and offer recommendations on score-based sampling for better accuracy and training efficiency.

As hyperparameter tuning becomes increasingly costly at scale, efficient tuning methods are essential. Yet principles for guiding hyperparameter tuning remain limited. In this work, we seek to establish such principles by considering a broad range of hyperparameters, including batch size, learning rate, and weight decay. We identify a phenomenon we call trajectory invariance, where pre-training loss curves, gradient noise, and gradient norm exhibit invariance--closely overlapping--with respect to a quantity that combines learning rate and weight decay. This phenomenon effectively reduces the original two-dimensional hyperparameter space to one dimension, yielding an efficient tuning rule: follow the salient direction revealed by trajectory invariance. Furthermore, we refine previous scaling laws and challenge several existing viewpoints. Overall, our work proposes new principles for efficient tuning and inspires future research on scaling laws.

We study variance-dependent regret bounds for Markov decision processes (MDPs). Algorithms with variance-dependent regret guarantees can automatically exploit environments with low variance (e.g., enjoying constant regret on deterministic MDPs). The existing algorithms are either variance-independent or suboptimal. We first propose two new environment norms to characterize the fine-grained variance properties of the environment. For model-based methods, we design a variant of the MVP algorithm (Zhang et al., 2021a). We apply new analysis techniques to demonstrate that this algorithm enjoys variance-dependent bounds with respect to the norms we propose. In particular, this bound is simultaneously minimax optimal for both stochastic and deterministic MDPs, the first result of its kind. We further initiate the study on model-free algorithms with variance-dependent regret bounds by designing a reference-function-based algorithm with a novel capped-doubling reference update schedule. Lastly, we also provide lower bounds to complement our upper bounds.

Given a set of pre-trained models, how can we quickly and accurately find the most useful pre-trained model for a downstream task? Transferability measurement is to quantify how transferable is a pre-trained model learned on a source task to a target task. It is used for quickly ranking pre-trained models for a given task and thus becomes a crucial step for transfer learning. Existing methods measure transferability as the discrimination ability of a source model for a target data before transfer learning, which cannot accurately estimate the fine-tuning performance. Some of them restrict the application of transferability measurement in selecting the best supervised pre-trained models that have classifiers. It is important to have a general method for measuring transferability that can be applied in a variety of situations, such as selecting the best self-supervised pre-trained models that do not have classifiers, and selecting the best transferring layer for a target task. In this work, we propose TMI (TRANSFERABILITY MEASUREMENT WITH INTRA-CLASS FEATURE VARIANCE), a fast and accurate algorithm to measure transferability. We view transferability as the generalization of a pre-trained model on a target task by measuring intra-class feature variance. Intra-class variance evaluates the adaptability of the model to a new task, which measures how transferable the model is. Compared to previous studies that estimate how discriminative the models are, intra-class variance is more accurate than those as it does not require an optimal feature extractor and classifier. Extensive experiments on real-world datasets show that TMI outperforms competitors for selecting the top-5 best models, and exhibits consistently better correlation in 13 out of 17 cases.

In this paper we investigate learning visual models for the steps of ordinary tasks using weak supervision via instructional narrations and an ordered list of steps instead of strong supervision via temporal annotations. At the heart of our approach is the observation that weakly supervised learning may be easier if a model shares components while learning different steps: `pour egg' should be trained jointly with other tasks involving `pour' and `egg'. We formalize this in a component model for recognizing steps and a weakly supervised learning framework that can learn this model under temporal constraints from narration and the list of steps. Past data does not permit systematic studying of sharing and so we also gather a new dataset, CrossTask, aimed at assessing cross-task sharing. Our experiments demonstrate that sharing across tasks improves performance, especially when done at the component level and that our component model can parse previously unseen tasks by virtue of its compositionality.

Recent advances in one-step generative models typically follow a two-stage process: first training a teacher diffusion model and then distilling it into a one-step student model. This distillation process traditionally relies on both the teacher model's score function to compute the distillation loss and its weights for student initialization. In this paper, we explore whether one-step generative models can be trained directly without this distillation process. First, we show that the teacher's score function is not essential and propose a family of distillation methods that achieve competitive results without relying on score estimation. Next, we demonstrate that initialization from teacher weights is indispensable in successful training. Surprisingly, we find that this benefit is not due to improved ``input-output" mapping but rather the learned feature representations, which dominate distillation quality. Our findings provide a better understanding of the role of initialization in one-step model training and its impact on distillation quality.

In theoretical neuroscience, recent work leverages deep learning tools to explore how some network attributes critically influence its learning dynamics. Notably, initial weight distributions with small (resp. large) variance may yield a rich (resp. lazy) regime, where significant (resp. minor) changes to network states and representation are observed over the course of learning. However, in biology, neural circuit connectivity could exhibit a low-rank structure and therefore differs markedly from the random initializations generally used for these studies. As such, here we investigate how the structure of the initial weights -- in particular their effective rank -- influences the network learning regime. Through both empirical and theoretical analyses, we discover that high-rank initializations typically yield smaller network changes indicative of lazier learning, a finding we also confirm with experimentally-driven initial connectivity in recurrent neural networks. Conversely, low-rank initialization biases learning towards richer learning. Importantly, however, as an exception to this rule, we find lazier learning can still occur with a low-rank initialization that aligns with task and data statistics. Our research highlights the pivotal role of initial weight structures in shaping learning regimes, with implications for metabolic costs of plasticity and risks of catastrophic forgetting.

This work studies training instabilities of behavior cloning with deep neural networks. We observe that minibatch SGD updates to the policy network during training result in sharp oscillations in long-horizon rewards, despite negligibly affecting the behavior cloning loss. We empirically disentangle the statistical and computational causes of these oscillations, and find them to stem from the chaotic propagation of minibatch SGD noise through unstable closed-loop dynamics. While SGD noise is benign in the single-step action prediction objective, it results in catastrophic error accumulation over long horizons, an effect we term gradient variance amplification (GVA). We show that many standard mitigation techniques do not alleviate GVA, but find an exponential moving average (EMA) of iterates to be surprisingly effective at doing so. We illustrate the generality of this phenomenon by showing the existence of GVA and its amelioration by EMA in both continuous control and autoregressive language generation. Finally, we provide theoretical vignettes that highlight the benefits of EMA in alleviating GVA and shed light on the extent to which classical convex models can help in understanding the benefits of iterate averaging in deep learning.

Training deep generative models like Variational Autoencoders (VAEs) is often hindered by the need to backpropagate gradients through the stochastic sampling of their latent variables, a process that inherently introduces estimation variance, which can slow convergence and degrade performance. In this paper, we propose a new perspective that sidesteps this problem, which we call Silent Gradients. Instead of improving stochastic estimators, we leverage specific decoder architectures to analytically compute the expected ELBO, yielding a gradient with zero variance. We first provide a theoretical foundation for this method and demonstrate its superiority over existing estimators in a controlled setting with a linear decoder. To generalize our approach for practical use with complex, expressive decoders, we introduce a novel training dynamic that uses the exact, zero-variance gradient to guide the early stages of encoder training before annealing to a standard stochastic estimator. Our experiments show that this technique consistently improves the performance of established baselines, including reparameterization, Gumbel-Softmax, and REINFORCE, across multiple datasets. This work opens a new direction for training generative models by combining the stability of analytical computation with the expressiveness of deep, nonlinear architecture.

We present Visual AutoRegressive modeling (VAR), a new generation paradigm that redefines the autoregressive learning on images as coarse-to-fine "next-scale prediction" or "next-resolution prediction", diverging from the standard raster-scan "next-token prediction". This simple, intuitive methodology allows autoregressive (AR) transformers to learn visual distributions fast and generalize well: VAR, for the first time, makes AR models surpass diffusion transformers in image generation. On ImageNet 256x256 benchmark, VAR significantly improve AR baseline by improving Frechet inception distance (FID) from 18.65 to 1.80, inception score (IS) from 80.4 to 356.4, with around 20x faster inference speed. It is also empirically verified that VAR outperforms the Diffusion Transformer (DiT) in multiple dimensions including image quality, inference speed, data efficiency, and scalability. Scaling up VAR models exhibits clear power-law scaling laws similar to those observed in LLMs, with linear correlation coefficients near -0.998 as solid evidence. VAR further showcases zero-shot generalization ability in downstream tasks including image in-painting, out-painting, and editing. These results suggest VAR has initially emulated the two important properties of LLMs: Scaling Laws and zero-shot task generalization. We have released all models and codes to promote the exploration of AR/VAR models for visual generation and unified learning.

Visual Auto-Regressive modeling (VAR) has shown promise in bridging the speed and quality gap between autoregressive image models and diffusion models. VAR reformulates autoregressive modeling by decomposing an image into successive resolution scales. During inference, an image is generated by predicting all the tokens in the next (higher-resolution) scale, conditioned on all tokens in all previous (lower-resolution) scales. However, this formulation suffers from reduced image quality due to the parallel generation of all tokens in a resolution scale; has sequence lengths scaling superlinearly in image resolution; and requires retraining to change the sampling schedule. We introduce Hierarchical Masked Auto-Regressive modeling (HMAR), a new image generation algorithm that alleviates these issues using next-scale prediction and masked prediction to generate high-quality images with fast sampling. HMAR reformulates next-scale prediction as a Markovian process, wherein the prediction of each resolution scale is conditioned only on tokens in its immediate predecessor instead of the tokens in all predecessor resolutions. When predicting a resolution scale, HMAR uses a controllable multi-step masked generation procedure to generate a subset of the tokens in each step. On ImageNet 256x256 and 512x512 benchmarks, HMAR models match or outperform parameter-matched VAR, diffusion, and autoregressive baselines. We develop efficient IO-aware block-sparse attention kernels that allow HMAR to achieve faster training and inference times over VAR by over 2.5x and 1.75x respectively, as well as over 3x lower inference memory footprint. Finally, HMAR yields additional flexibility over VAR; its sampling schedule can be changed without further training, and it can be applied to image editing tasks in a zero-shot manner.

Real-world data tends to follow a long-tailed distribution, where the class imbalance results in dominance of the head classes during training. In this paper, we propose a frustratingly simple but effective step-wise learning framework to gradually enhance the capability of the model in detecting all categories of long-tailed datasets. Specifically, we build smooth-tail data where the long-tailed distribution of categories decays smoothly to correct the bias towards head classes. We pre-train a model on the whole long-tailed data to preserve discriminability between all categories. We then fine-tune the class-agnostic modules of the pre-trained model on the head class dominant replay data to get a head class expert model with improved decision boundaries from all categories. Finally, we train a unified model on the tail class dominant replay data while transferring knowledge from the head class expert model to ensure accurate detection of all categories. Extensive experiments on long-tailed datasets LVIS v0.5 and LVIS v1.0 demonstrate the superior performance of our method, where we can improve the AP with ResNet-50 backbone from 27.0% to 30.3% AP, and especially for the rare categories from 15.5% to 24.9% AP. Our best model using ResNet-101 backbone can achieve 30.7% AP, which suppresses all existing detectors using the same backbone.

Machine learning for time-series forecasting remains a key area of research. Despite successful application of many machine learning techniques, relating computational efficiency to forecast error remains an under-explored domain. This paper addresses this topic through a series of real-time experiments to quantify the relationship between computational cost and forecast error using meteorological nowcasting as an example use-case. We employ a variety of popular regression techniques (XGBoost, FC-MLP, Transformer, and LSTM) for multi-horizon, short-term forecasting of three variables (temperature, wind speed, and cloud cover) for multiple locations. During a 5-day live experiment, 4000 data sources were streamed for training and inferencing 144 models per hour. These models were parameterized to explore forecast error for two computational cost minimization methods: a novel auto-adaptive data reduction technique (Variance Horizon) and a performance-based concept drift-detection mechanism. Forecast error of all model variations were benchmarked in real-time against a state-of-the-art numerical weather prediction model. Performance was assessed using classical and novel evaluation metrics. Results indicate that using the Variance Horizon reduced computational usage by more than 50\%, while increasing between 0-15\% in error. Meanwhile, performance-based retraining reduced computational usage by up to 90\% while also improving forecast error by up to 10\%. Finally, the combination of both the Variance Horizon and performance-based retraining outperformed other model configurations by up to 99.7\% when considering error normalized to computational usage.

Existing neural active learning algorithms have aimed to optimize the predictive performance of neural networks (NNs) by selecting data for labelling. However, other than a good predictive performance, being robust against random parameter initializations is also a crucial requirement in safety-critical applications. To this end, we introduce our expected variance with Gaussian processes (EV-GP) criterion for neural active learning, which is theoretically guaranteed to select data points which lead to trained NNs with both (a) good predictive performances and (b) initialization robustness. Importantly, our EV-GP criterion is training-free, i.e., it does not require any training of the NN during data selection, which makes it computationally efficient. We empirically demonstrate that our EV-GP criterion is highly correlated with both initialization robustness and generalization performance, and show that it consistently outperforms baseline methods in terms of both desiderata, especially in situations with limited initial data or large batch sizes.

Off-policy learning from multistep returns is crucial for sample-efficient reinforcement learning, but counteracting off-policy bias without exacerbating variance is challenging. Classically, off-policy bias is corrected in a per-decision manner: past temporal-difference errors are re-weighted by the instantaneous Importance Sampling (IS) ratio after each action via eligibility traces. Many off-policy algorithms rely on this mechanism, along with differing protocols for cutting the IS ratios to combat the variance of the IS estimator. Unfortunately, once a trace has been fully cut, the effect cannot be reversed. This has led to the development of credit-assignment strategies that account for multiple past experiences at a time. These trajectory-aware methods have not been extensively analyzed, and their theoretical justification remains uncertain. In this paper, we propose a multistep operator that can express both per-decision and trajectory-aware methods. We prove convergence conditions for our operator in the tabular setting, establishing the first guarantees for several existing methods as well as many new ones. Finally, we introduce Recency-Bounded Importance Sampling (RBIS), which leverages trajectory awareness to perform robustly across lambda-values in an off-policy control task.

Stepwise inference protocols, such as scratchpads and chain-of-thought, help language models solve complex problems by decomposing them into a sequence of simpler subproblems. Despite the significant gain in performance achieved via these protocols, the underlying mechanisms of stepwise inference have remained elusive. To address this, we propose to study autoregressive Transformer models on a synthetic task that embodies the multi-step nature of problems where stepwise inference is generally most useful. Specifically, we define a graph navigation problem wherein a model is tasked with traversing a path from a start to a goal node on the graph. Despite is simplicity, we find we can empirically reproduce and analyze several phenomena observed at scale: (i) the stepwise inference reasoning gap, the cause of which we find in the structure of the training data; (ii) a diversity-accuracy tradeoff in model generations as sampling temperature varies; (iii) a simplicity bias in the model's output; and (iv) compositional generalization and a primacy bias with in-context exemplars. Overall, our work introduces a grounded, synthetic framework for studying stepwise inference and offers mechanistic hypotheses that can lay the foundation for a deeper understanding of this phenomenon.

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

Federated learning and gossip learning are emerging methodologies designed to mitigate data privacy concerns by retaining training data on client devices and exclusively sharing locally-trained machine learning (ML) models with others. The primary distinction between the two lies in their approach to model aggregation: federated learning employs a centralized parameter server, whereas gossip learning adopts a fully decentralized mechanism, enabling direct model exchanges among nodes. This decentralized nature often positions gossip learning as less efficient compared to federated learning. Both methodologies involve a critical step: computing a representation of received ML models and integrating this representation into the existing model. Conventionally, this representation is derived by averaging the received models, exemplified by the FedAVG algorithm. Our findings suggest that this averaging approach inherently introduces a potential delay in model convergence. We identify the underlying cause and refer to it as the "vanishing variance" problem, where averaging across uncorrelated ML models undermines the optimal variance established by the Xavier weight initialization. Unlike federated learning where the central server ensures model correlation, and unlike traditional gossip learning which circumvents this problem through model partitioning and sampling, our research introduces a variance-corrected model averaging algorithm. This novel algorithm preserves the optimal variance needed during model averaging, irrespective of network topology or non-IID data distributions. Our extensive simulation results demonstrate that our approach enables gossip learning to achieve convergence efficiency comparable to that of federated learning.

We study contextual combinatorial bandits with probabilistically triggered arms (C^2MAB-T) under a variety of smoothness conditions that capture a wide range of applications, such as contextual cascading bandits and contextual influence maximization bandits. Under the triggering probability modulated (TPM) condition, we devise the C^2-UCB-T algorithm and propose a novel analysis that achieves an O(dKT) regret bound, removing a potentially exponentially large factor O(1/p_{min}), where d is the dimension of contexts, p_{min} is the minimum positive probability that any arm can be triggered, and batch-size K is the maximum number of arms that can be triggered per round. Under the variance modulated (VM) or triggering probability and variance modulated (TPVM) conditions, we propose a new variance-adaptive algorithm VAC^2-UCB and derive a regret bound O(dT), which is independent of the batch-size K. As a valuable by-product, our analysis technique and variance-adaptive algorithm can be applied to the CMAB-T and C^2MAB setting, improving existing results there as well. We also include experiments that demonstrate the improved performance of our algorithms compared with benchmark algorithms on synthetic and real-world datasets.

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

Deep neural networks are powerful predictors for a variety of tasks. However, they do not capture uncertainty directly. Using neural network ensembles to quantify uncertainty is competitive with approaches based on Bayesian neural networks while benefiting from better computational scalability. However, building ensembles of neural networks is a challenging task because, in addition to choosing the right neural architecture or hyperparameters for each member of the ensemble, there is an added cost of training each model. We propose AutoDEUQ, an automated approach for generating an ensemble of deep neural networks. Our approach leverages joint neural architecture and hyperparameter search to generate ensembles. We use the law of total variance to decompose the predictive variance of deep ensembles into aleatoric (data) and epistemic (model) uncertainties. We show that AutoDEUQ outperforms probabilistic backpropagation, Monte Carlo dropout, deep ensemble, distribution-free ensembles, and hyper ensemble methods on a number of regression benchmarks.

Recently, Direct Preference Optimization (DPO) has extended its success from aligning large language models (LLMs) to aligning text-to-image diffusion models with human preferences. Unlike most existing DPO methods that assume all diffusion steps share a consistent preference order with the final generated images, we argue that this assumption neglects step-specific denoising performance and that preference labels should be tailored to each step's contribution. To address this limitation, we propose Step-aware Preference Optimization (SPO), a novel post-training approach that independently evaluates and adjusts the denoising performance at each step, using a step-aware preference model and a step-wise resampler to ensure accurate step-aware supervision. Specifically, at each denoising step, we sample a pool of images, find a suitable win-lose pair, and, most importantly, randomly select a single image from the pool to initialize the next denoising step. This step-wise resampler process ensures the next win-lose image pair comes from the same image, making the win-lose comparison independent of the previous step. To assess the preferences at each step, we train a separate step-aware preference model that can be applied to both noisy and clean images. Our experiments with Stable Diffusion v1.5 and SDXL demonstrate that SPO significantly outperforms the latest Diffusion-DPO in aligning generated images with complex, detailed prompts and enhancing aesthetics, while also achieving more than 20x times faster in training efficiency. Code and model: https://rockeycoss.github.io/spo.github.io/

Diffusion-based generative models have emerged as powerful tools in the realm of generative modeling. Despite extensive research on denoising across various timesteps and noise levels, a conflict persists regarding the relative difficulties of the denoising tasks. While various studies argue that lower timesteps present more challenging tasks, others contend that higher timesteps are more difficult. To address this conflict, our study undertakes a comprehensive examination of task difficulties, focusing on convergence behavior and changes in relative entropy between consecutive probability distributions across timesteps. Our observational study reveals that denoising at earlier timesteps poses challenges characterized by slower convergence and higher relative entropy, indicating increased task difficulty at these lower timesteps. Building on these observations, we introduce an easy-to-hard learning scheme, drawing from curriculum learning, to enhance the training process of diffusion models. By organizing timesteps or noise levels into clusters and training models with ascending orders of difficulty, we facilitate an order-aware training regime, progressing from easier to harder denoising tasks, thereby deviating from the conventional approach of training diffusion models simultaneously across all timesteps. Our approach leads to improved performance and faster convergence by leveraging benefits of curriculum learning, while maintaining orthogonality with existing improvements in diffusion training techniques. We validate these advantages through comprehensive experiments in image generation tasks, including unconditional, class-conditional, and text-to-image generation.

This paper discusses the weight parametrization of two standard 1-Lipschitz network architectures, the Almost-Orthogonal-Layers (AOL) and the SDP-based Lipschitz Layers (SLL). It examines their impact on initialization for deep 1-Lipschitz feedforward networks, and discusses underlying issues surrounding this initialization. These networks are mainly used in certifiably robust classification applications to combat adversarial attacks by limiting the impact of perturbations on the classification output. Exact and upper bounds for the parameterized weight variance were calculated assuming a standard Normal distribution initialization; additionally, an upper bound was computed assuming a Generalized Normal Distribution, generalizing the proof for Uniform, Laplace, and Normal distribution weight initializations. It is demonstrated that the weight variance holds no bearing on the output variance distribution and that only the dimension of the weight matrices matters. Additionally, this paper demonstrates that the weight initialization always causes deep 1-Lipschitz networks to decay to zero.

Text generation with Large Language Models (LLMs) is known to be memory bound due to the combination of their auto-regressive nature, huge parameter counts, and limited memory bandwidths, often resulting in low token rates. Speculative decoding has been proposed as a solution for LLM inference acceleration. However, since draft models are often unavailable in the modern open-source LLM families, e.g., for Llama 2 7B, training a high-quality draft model is required to enable inference acceleration via speculative decoding. In this paper, we propose a simple draft model training framework for direct alignment to chat-capable target models. With the proposed framework, we train Llama 2 Chat Drafter 115M, a draft model for Llama 2 Chat 7B or larger, with only 1.64\% of the original size. Our training framework only consists of pretraining, distillation dataset generation, and finetuning with knowledge distillation, with no additional alignment procedure. For the finetuning step, we use instruction-response pairs generated by target model for distillation in plausible data distribution, and propose a new Total Variation Distance++ (TVD++) loss that incorporates variance reduction techniques inspired from the policy gradient method in reinforcement learning. Our empirical results show that Llama 2 Chat Drafter 115M with speculative decoding achieves up to 2.3 block efficiency and 2.4times speed-up relative to autoregressive decoding on various tasks with no further task-specific fine-tuning.

Cascades are a classical strategy to enable inference cost to vary adaptively across samples, wherein a sequence of classifiers are invoked in turn. A deferral rule determines whether to invoke the next classifier in the sequence, or to terminate prediction. One simple deferral rule employs the confidence of the current classifier, e.g., based on the maximum predicted softmax probability. Despite being oblivious to the structure of the cascade -- e.g., not modelling the errors of downstream models -- such confidence-based deferral often works remarkably well in practice. In this paper, we seek to better understand the conditions under which confidence-based deferral may fail, and when alternate deferral strategies can perform better. We first present a theoretical characterisation of the optimal deferral rule, which precisely characterises settings under which confidence-based deferral may suffer. We then study post-hoc deferral mechanisms, and demonstrate they can significantly improve upon confidence-based deferral in settings where (i) downstream models are specialists that only work well on a subset of inputs, (ii) samples are subject to label noise, and (iii) there is distribution shift between the train and test set.

We introduce HRMCR (HAE-RAE Multi-Step Commonsense Reasoning), a benchmark designed to evaluate large language models' ability to perform multi-step reasoning in culturally specific contexts, focusing on Korean. The questions are automatically generated via templates and algorithms, requiring LLMs to integrate Korean cultural knowledge into sequential reasoning steps. Consistent with prior observations on emergent abilities, our experiments reveal that models trained on fewer than \(2 \cdot 10^{25}\) training FLOPs struggle to solve any questions, showing near-zero performance. Beyond this threshold, performance improves sharply. State-of-the-art models (e.g., O1) still score under 50\%, underscoring the difficulty of our tasks. Notably, stepwise analysis suggests the observed emergent behavior may stem from compounding errors across multiple steps rather than reflecting a genuinely new capability. We publicly release the benchmark and commit to regularly updating the dataset to prevent contamination.

Fast changing states or volatile environments pose a significant challenge to online optimization, which needs to perform rapid adaptation under limited observation. In this paper, we give query and regret optimal bandit algorithms under the strict notion of strongly adaptive regret, which measures the maximum regret over any contiguous interval I. Due to its worst-case nature, there is an almost-linear Omega(|I|^{1-epsilon}) regret lower bound, when only one query per round is allowed [Daniely el al, ICML 2015]. Surprisingly, with just two queries per round, we give Strongly Adaptive Bandit Learner (StABL) that achieves O(n|I|) adaptive regret for multi-armed bandits with n arms. The bound is tight and cannot be improved in general. Our algorithm leverages a multiplicative update scheme of varying stepsizes and a carefully chosen observation distribution to control the variance. Furthermore, we extend our results and provide optimal algorithms in the bandit convex optimization setting. Finally, we empirically demonstrate the superior performance of our algorithms under volatile environments and for downstream tasks, such as algorithm selection for hyperparameter optimization.

Exponential moving average (EMA) has recently gained significant popularity in training modern deep learning models, especially diffusion-based generative models. However, there have been few theoretical results explaining the effectiveness of EMA. In this paper, to better understand EMA, we establish the risk bound of online SGD with EMA for high-dimensional linear regression, one of the simplest overparameterized learning tasks that shares similarities with neural networks. Our results indicate that (i) the variance error of SGD with EMA is always smaller than that of SGD without averaging, and (ii) unlike SGD with iterate averaging from the beginning, the bias error of SGD with EMA decays exponentially in every eigen-subspace of the data covariance matrix. Additionally, we develop proof techniques applicable to the analysis of a broad class of averaging schemes.

Layer-sequential unit-variance (LSUV) initialization - a simple method for weight initialization for deep net learning - is proposed. The method consists of the two steps. First, pre-initialize weights of each convolution or inner-product layer with orthonormal matrices. Second, proceed from the first to the final layer, normalizing the variance of the output of each layer to be equal to one. Experiment with different activation functions (maxout, ReLU-family, tanh) show that the proposed initialization leads to learning of very deep nets that (i) produces networks with test accuracy better or equal to standard methods and (ii) is at least as fast as the complex schemes proposed specifically for very deep nets such as FitNets (Romero et al. (2015)) and Highway (Srivastava et al. (2015)). Performance is evaluated on GoogLeNet, CaffeNet, FitNets and Residual nets and the state-of-the-art, or very close to it, is achieved on the MNIST, CIFAR-10/100 and ImageNet datasets.

Machine unlearning methods seek to revise pretrained models such that effects of certain training samples can be removed. In addition to effective erasure, low computational cost and general utility retention are also highly desirable. Existing unlearning methods usually involve iterative updates over the model parameters, which incurs a high computational cost. In this work, we propose an efficient method that only requires a one-time gradient computation, with which we modify only a single layer of model parameters. Specifically, we first identify a small number of model layers that lie on the Pareto front of high forget importance and low retain influence as critical layers. Then we search for a suitable step size and take a step along the gradient direction of a single critical layer while keeping other layers frozen. This method is highly modular and can be used to unlearn multiple concepts simultaneously in a controllable manner. We demonstrate the effectiveness and efficiency of this method on various models including CLIP, stable diffusion, and VLMs, surpassing other state-of-the-art methods.

Activation functions are fundamental in deep neural networks and directly impact gradient flow, optimization stability, and generalization. Although ReLU remains standard because of its simplicity, it suffers from vanishing gradients and lacks adaptability. Alternatives like Swish and GELU introduce smooth transitions, but fail to dynamically adjust to input statistics. We propose VeLU, a Variance-enhanced Learning Unit as an activation function that dynamically scales based on input variance by integrating ArcTan-Sin transformations and Wasserstein-2 regularization, effectively mitigating covariate shifts and stabilizing optimization. Extensive experiments on ViT_B16, VGG19, ResNet50, DenseNet121, MobileNetV2, and EfficientNetB3 confirm VeLU's superiority over ReLU, ReLU6, Swish, and GELU on six vision benchmarks. The codes of VeLU are publicly available on GitHub.

Catastrophic overfitting (CO) in single-step adversarial training (AT) results in abrupt drops in the adversarial test accuracy (even down to 0%). For models trained with multi-step AT, it has been observed that the loss function behaves locally linearly with respect to the input, this is however lost in single-step AT. To address CO in single-step AT, several methods have been proposed to enforce local linearity of the loss via regularization. However, these regularization terms considerably slow down training due to Double Backpropagation. Instead, in this work, we introduce a regularization term, called ELLE, to mitigate CO effectively and efficiently in classical AT evaluations, as well as some more difficult regimes, e.g., large adversarial perturbations and long training schedules. Our regularization term can be theoretically linked to curvature of the loss function and is computationally cheaper than previous methods by avoiding Double Backpropagation. Our thorough experimental validation demonstrates that our work does not suffer from CO, even in challenging settings where previous works suffer from it. We also notice that adapting our regularization parameter during training (ELLE-A) greatly improves the performance, specially in large epsilon setups. Our implementation is available in https://github.com/LIONS-EPFL/ELLE .

Comparing a user video to a reference how-to video is a key requirement for AR/VR technology delivering personalized assistance tailored to the user's progress. However, current approaches for language-based assistance can only answer questions about a single video. We propose an approach that first automatically generates large amounts of visual instruction tuning data involving pairs of videos from HowTo100M by leveraging existing step annotations and accompanying narrations, and then trains a video-conditioned language model to jointly reason across multiple raw videos. Our model achieves state-of-the-art performance at identifying differences between video pairs and ranking videos based on the severity of these differences, and shows promising ability to perform general reasoning over multiple videos. Project page: https://github.com/facebookresearch/stepdiff

Accurate uncertainty measurement is a key step to building robust and reliable machine learning systems. Conformal prediction is a distribution-free uncertainty quantification algorithm popular for its ease of implementation, statistical coverage guarantees, and versatility for underlying forecasters. However, existing conformal prediction algorithms for time series are limited to single-step prediction without considering the temporal dependency. In this paper, we propose a Copula Conformal Prediction algorithm for multivariate, multi-step Time Series forecasting, CopulaCPTS. We prove that CopulaCPTS has finite sample validity guarantee. On several synthetic and real-world multivariate time series datasets, we show that CopulaCPTS produces more calibrated and sharp confidence intervals for multi-step prediction tasks than existing techniques.

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.

Identifying how much a model {p}_{theta}(Y|X) knows about the stochastic real-world process p(Y|X) it was trained on is important to ensure it avoids producing incorrect or "hallucinated" answers or taking unsafe actions. But this is difficult for generative models because probabilistic predictions do not distinguish between per-response noise (aleatoric uncertainty) and lack of knowledge about the process (epistemic uncertainty), and existing epistemic uncertainty quantification techniques tend to be overconfident when the model underfits. We propose a general strategy for teaching a model to both approximate p(Y|X) and also estimate the remaining gaps between {p}_{theta}(Y|X) and p(Y|X): train it to predict pairs of independent responses drawn from the true conditional distribution, allow it to "cheat" by observing one response while predicting the other, then measure how much it cheats. Remarkably, we prove that being good at cheating (i.e. cheating whenever it improves your prediction) is equivalent to being second-order calibrated, a principled extension of ordinary calibration that allows us to construct provably-correct frequentist confidence intervals for p(Y|X) and detect incorrect responses with high probability. We demonstrate empirically that our approach accurately estimates how much models don't know across ambiguous image classification, (synthetic) language modeling, and partially-observable navigation tasks, outperforming existing techniques.

Few-shot learning aims to transfer the knowledge acquired from training on a diverse set of tasks to unseen tasks from the same task distribution with a limited amount of labeled data. The underlying requirement for effective few-shot generalization is to learn a good representation of the task manifold. This becomes more difficult when only a limited number of tasks are available for training. In such a few-task few-shot setting, it is beneficial to explicitly preserve the local neighborhoods from the task manifold and exploit this to generate artificial tasks for training. To this end, we introduce the notion of interval bounds from the provably robust training literature to few-shot learning. The interval bounds are used to characterize neighborhoods around the training tasks. These neighborhoods can then be preserved by minimizing the distance between a task and its respective bounds. We then use a novel strategy to artificially form new tasks for training by interpolating between the available tasks and their respective interval bounds. We apply our framework to both model-agnostic meta-learning as well as prototype-based metric-learning paradigms. The efficacy of our proposed approach is evident from the improved performance on several datasets from diverse domains compared to current methods.

Conventional uncertainty-aware temporal difference (TD) learning methods often rely on simplistic assumptions, typically including a zero-mean Gaussian distribution for TD errors. Such oversimplification can lead to inaccurate error representations and compromised uncertainty estimation. In this paper, we introduce a novel framework for generalized Gaussian error modeling in deep reinforcement learning, applicable to both discrete and continuous control settings. Our framework enhances the flexibility of error distribution modeling by incorporating additional higher-order moment, particularly kurtosis, thereby improving the estimation and mitigation of data-dependent noise, i.e., aleatoric uncertainty. We examine the influence of the shape parameter of the generalized Gaussian distribution (GGD) on aleatoric uncertainty and provide a closed-form expression that demonstrates an inverse relationship between uncertainty and the shape parameter. Additionally, we propose a theoretically grounded weighting scheme to fully leverage the GGD. To address epistemic uncertainty, we enhance the batch inverse variance weighting by incorporating bias reduction and kurtosis considerations, resulting in improved robustness. Extensive experimental evaluations using policy gradient algorithms demonstrate the consistent efficacy of our method, showcasing significant performance improvements.

We study the variance of stochastic policy gradients (SPGs) with many action samples per state. We derive a many-actions optimality condition, which determines when many-actions SPG yields lower variance as compared to a single-action agent with proportionally extended trajectory. We propose Model-Based Many-Actions (MBMA), an approach leveraging dynamics models for many-actions sampling in the context of SPG. MBMA addresses issues associated with existing implementations of many-actions SPG and yields lower bias and comparable variance to SPG estimated from states in model-simulated rollouts. We find that MBMA bias and variance structure matches that predicted by theory. As a result, MBMA achieves improved sample efficiency and higher returns on a range of continuous action environments as compared to model-free, many-actions, and model-based on-policy SPG baselines.

This study introduces PV-RNN, a novel variational RNN inspired by the predictive-coding ideas. The model learns to extract the probabilistic structures hidden in fluctuating temporal patterns by dynamically changing the stochasticity of its latent states. Its architecture attempts to address two major concerns of variational Bayes RNNs: how can latent variables learn meaningful representations and how can the inference model transfer future observations to the latent variables. PV-RNN does both by introducing adaptive vectors mirroring the training data, whose values can then be adapted differently during evaluation. Moreover, prediction errors during backpropagation, rather than external inputs during the forward computation, are used to convey information to the network about the external data. For testing, we introduce error regression for predicting unseen sequences as inspired by predictive coding that leverages those mechanisms. The model introduces a weighting parameter, the meta-prior, to balance the optimization pressure placed on two terms of a lower bound on the marginal likelihood of the sequential data. We test the model on two datasets with probabilistic structures and show that with high values of the meta-prior the network develops deterministic chaos through which the data's randomness is imitated. For low values, the model behaves as a random process. The network performs best on intermediate values, and is able to capture the latent probabilistic structure with good generalization. Analyzing the meta-prior's impact on the network allows to precisely study the theoretical value and practical benefits of incorporating stochastic dynamics in our model. We demonstrate better prediction performance on a robot imitation task with our model using error regression compared to a standard variational Bayes model lacking such a procedure.

We examine a simple stochastic strategy for adapting well-known single-point acquisition functions to allow batch active learning. Unlike acquiring the top-K points from the pool set, score- or rank-based sampling takes into account that acquisition scores change as new data are acquired. This simple strategy for adapting standard single-sample acquisition strategies can even perform just as well as compute-intensive state-of-the-art batch acquisition functions, like BatchBALD or BADGE, while using orders of magnitude less compute. In addition to providing a practical option for machine learning practitioners, the surprising success of the proposed method in a wide range of experimental settings raises a difficult question for the field: when are these expensive batch acquisition methods pulling their weight?

Efficient multi-hop reasoning requires Large Language Models (LLMs) based agents to acquire high-value external knowledge iteratively. Previous work has explored reinforcement learning (RL) to train LLMs to perform search-based document retrieval, achieving notable improvements in QA performance, but underperform on complex, multi-hop QA resulting from the sparse rewards from global signal only. To address this gap in existing research, we introduce StepSearch, a framework for search LLMs that trained with step-wise proximal policy optimization method. It consists of richer and more detailed intermediate search rewards and token-level process supervision based on information gain and redundancy penalties to better guide each search step. We constructed a fine-grained question-answering dataset containing sub-question-level search trajectories based on open source datasets through a set of data pipeline method. On standard multi-hop QA benchmarks, it significantly outperforms global-reward baselines, achieving 11.2% and 4.2% absolute improvements for 3B and 7B models over various search with RL baselines using only 19k training data, demonstrating the effectiveness of fine-grained, stepwise supervision in optimizing deep search LLMs. Our code will be released on https://github.com/Zillwang/StepSearch.

Diffusion models have demonstrated impressive generative capabilities, but their exposure bias problem, described as the input mismatch between training and sampling, lacks in-depth exploration. In this paper, we systematically investigate the exposure bias problem in diffusion models by first analytically modelling the sampling distribution, based on which we then attribute the prediction error at each sampling step as the root cause of the exposure bias issue. Furthermore, we discuss potential solutions to this issue and propose an intuitive metric for it. Along with the elucidation of exposure bias, we propose a simple, yet effective, training-free method called Epsilon Scaling to alleviate the exposure bias. We show that Epsilon Scaling explicitly moves the sampling trajectory closer to the vector field learned in the training phase by scaling down the network output (Epsilon), mitigating the input mismatch between training and sampling. Experiments on various diffusion frameworks (ADM, DDPM/DDIM, EDM, LDM), unconditional and conditional settings, and deterministic vs. stochastic sampling verify the effectiveness of our method. Remarkably, our ADM-ES, as a SOTA stochastic sampler, obtains 2.17 FID on CIFAR-10 under 100-step unconditional generation. The code is available at https://github.com/forever208/ADM-ES and https://github.com/forever208/EDM-ES.

Scale has become a main ingredient in obtaining strong machine learning models. As a result, understanding a model's scaling properties is key to effectively designing both the right training setup as well as future generations of architectures. In this work, we argue that scale and training research has been needlessly complex due to reliance on the cosine schedule, which prevents training across different lengths for the same model size. We investigate the training behavior of a direct alternative - constant learning rate and cooldowns - and find that it scales predictably and reliably similar to cosine. Additionally, we show that stochastic weight averaging yields improved performance along the training trajectory, without additional training costs, across different scales. Importantly, with these findings we demonstrate that scaling experiments can be performed with significantly reduced compute and GPU hours by utilizing fewer but reusable training runs.

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

The quality of many modern machine learning models improves as model complexity increases, an effect that has been quantified, for predictive performance, with the non-monotonic double descent learning curve. Here, we address the overarching question: is there an analogous theory of double descent for models which estimate uncertainty? We provide a partially affirmative and partially negative answer in the setting of Gaussian processes (GP). Under standard assumptions, we prove that higher model quality for optimally-tuned GPs (including uncertainty prediction) under marginal likelihood is realized for larger input dimensions, and therefore exhibits a monotone error curve. After showing that marginal likelihood does not naturally exhibit double descent in the input dimension, we highlight related forms of posterior predictive loss that do exhibit non-monotonicity. Finally, we verify empirically that our results hold for real data, beyond our considered assumptions, and we explore consequences involving synthetic covariates.

Visual Auto-Regressive (VAR) models significantly reduce inference steps through the "next-scale" prediction paradigm. However, progressive multi-scale generation incurs substantial memory overhead due to cumulative KV caching, limiting practical deployment. We observe a scale-depth asymmetric dependency in VAR: early scales exhibit extreme sensitivity to network depth, while later scales remain robust to depth reduction. Inspired by this, we propose VARiant: by equidistant sampling, we select multiple subnets ranging from 16 to 2 layers from the original 30-layer VAR-d30 network. Early scales are processed by the full network, while later scales utilize subnet. Subnet and the full network share weights, enabling flexible depth adjustment within a single model. However, weight sharing between subnet and the entire network can lead to optimization conflicts. To address this, we propose a progressive training strategy that breaks through the Pareto frontier of generation quality for both subnets and the full network under fixed-ratio training, achieving joint optimality. Experiments on ImageNet demonstrate that, compared to the pretrained VAR-d30 (FID 1.95), VARiant-d16 and VARiant-d8 achieve nearly equivalent quality (FID 2.05/2.12) while reducing memory consumption by 40-65%. VARiant-d2 achieves 3.5 times speedup and 80% memory reduction at moderate quality cost (FID 2.97). In terms of deployment, VARiant's single-model architecture supports zero-cost runtime depth switching and provides flexible deployment options from high quality to extreme efficiency, catering to diverse application scenarios.

In this paper we present an approach for localizing steps of procedural activities in narrated how-to videos. To deal with the scarcity of labeled data at scale, we source the step descriptions from a language knowledge base (wikiHow) containing instructional articles for a large variety of procedural tasks. Without any form of manual supervision, our model learns to temporally ground the steps of procedural articles in how-to videos by matching three modalities: frames, narrations, and step descriptions. Specifically, our method aligns steps to video by fusing information from two distinct pathways: i) {\em direct} alignment of step descriptions to frames, ii) {\em indirect} alignment obtained by composing steps-to-narrations with narrations-to-video correspondences. Notably, our approach performs global temporal grounding of all steps in an article at once by exploiting order information, and is trained with step pseudo-labels which are iteratively refined and aggressively filtered. In order to validate our model we introduce a new evaluation benchmark -- HT-Step -- obtained by manually annotating a 124-hour subset of HowTo100MA test server is accessible at \url{https://eval.ai/web/challenges/challenge-page/2082.} with steps sourced from wikiHow articles. Experiments on this benchmark as well as zero-shot evaluations on CrossTask demonstrate that our multi-modality alignment yields dramatic gains over several baselines and prior works. Finally, we show that our inner module for matching narration-to-video outperforms by a large margin the state of the art on the HTM-Align narration-video alignment benchmark.

Deep Learning has revolutionized vision via convolutional neural networks (CNNs) and natural language processing via recurrent neural networks (RNNs). However, success stories of Deep Learning with standard feed-forward neural networks (FNNs) are rare. FNNs that perform well are typically shallow and, therefore cannot exploit many levels of abstract representations. We introduce self-normalizing neural networks (SNNs) to enable high-level abstract representations. While batch normalization requires explicit normalization, neuron activations of SNNs automatically converge towards zero mean and unit variance. The activation function of SNNs are "scaled exponential linear units" (SELUs), which induce self-normalizing properties. Using the Banach fixed-point theorem, we prove that activations close to zero mean and unit variance that are propagated through many network layers will converge towards zero mean and unit variance -- even under the presence of noise and perturbations. This convergence property of SNNs allows to (1) train deep networks with many layers, (2) employ strong regularization, and (3) to make learning highly robust. Furthermore, for activations not close to unit variance, we prove an upper and lower bound on the variance, thus, vanishing and exploding gradients are impossible. We compared SNNs on (a) 121 tasks from the UCI machine learning repository, on (b) drug discovery benchmarks, and on (c) astronomy tasks with standard FNNs and other machine learning methods such as random forests and support vector machines. SNNs significantly outperformed all competing FNN methods at 121 UCI tasks, outperformed all competing methods at the Tox21 dataset, and set a new record at an astronomy data set. The winning SNN architectures are often very deep. Implementations are available at: github.com/bioinf-jku/SNNs.

Learning to denoise has emerged as a prominent paradigm to design state-of-the-art deep generative models for natural images. How to use it to model the distributions of both continuous real-valued data and categorical data has been well studied in recently proposed diffusion models. However, it is found in this paper to have limited ability in modeling some other types of data, such as count and non-negative continuous data, that are often highly sparse, skewed, heavy-tailed, and/or overdispersed. To this end, we propose learning to jump as a general recipe for generative modeling of various types of data. Using a forward count thinning process to construct learning objectives to train a deep neural network, it employs a reverse count thickening process to iteratively refine its generation through that network. We demonstrate when learning to jump is expected to perform comparably to learning to denoise, and when it is expected to perform better. For example, learning to jump is recommended when the training data is non-negative and exhibits strong sparsity, skewness, heavy-tailedness, and/or heterogeneity.

Most offline reinforcement learning (RL) algorithms return a target policy maximizing a trade-off between (1) the expected performance gain over the behavior policy that collected the dataset, and (2) the risk stemming from the out-of-distribution-ness of the induced state-action occupancy. It follows that the performance of the target policy is strongly related to the performance of the behavior policy and, thus, the trajectory return distribution of the dataset. We show that in mixed datasets consisting of mostly low-return trajectories and minor high-return trajectories, state-of-the-art offline RL algorithms are overly restrained by low-return trajectories and fail to exploit high-performing trajectories to the fullest. To overcome this issue, we show that, in deterministic MDPs with stochastic initial states, the dataset sampling can be re-weighted to induce an artificial dataset whose behavior policy has a higher return. This re-weighted sampling strategy may be combined with any offline RL algorithm. We further analyze that the opportunity for performance improvement over the behavior policy correlates with the positive-sided variance of the returns of the trajectories in the dataset. We empirically show that while CQL, IQL, and TD3+BC achieve only a part of this potential policy improvement, these same algorithms combined with our reweighted sampling strategy fully exploit the dataset. Furthermore, we empirically demonstrate that, despite its theoretical limitation, the approach may still be efficient in stochastic environments. The code is available at https://github.com/Improbable-AI/harness-offline-rl.

Latent variable models (LVMs) with discrete compositional latents are an important but challenging setting due to a combinatorially large number of possible configurations of the latents. A key tradeoff in modeling the posteriors over latents is between expressivity and tractable optimization. For algorithms based on expectation-maximization (EM), the E-step is often intractable without restrictive approximations to the posterior. We propose the use of GFlowNets, algorithms for sampling from an unnormalized density by learning a stochastic policy for sequential construction of samples, for this intractable E-step. By training GFlowNets to sample from the posterior over latents, we take advantage of their strengths as amortized variational inference algorithms for complex distributions over discrete structures. Our approach, GFlowNet-EM, enables the training of expressive LVMs with discrete compositional latents, as shown by experiments on non-context-free grammar induction and on images using discrete variational autoencoders (VAEs) without conditional independence enforced in the encoder.

We propose Delta L Normalization, a simple yet effective loss aggregation method tailored to the characteristic of dynamic generation lengths in Reinforcement Learning with Verifiable Rewards (RLVR). Recently, RLVR has demonstrated strong potential in improving the reasoning capabilities of large language models (LLMs), but a major challenge lies in the large variability of response lengths during training, which leads to high gradient variance and unstable optimization. Although previous methods such as GRPO, DAPO, and Dr. GRPO introduce different loss normalization terms to address this issue, they either produce biased estimates or still suffer from high gradient variance. By analyzing the effect of varying lengths on policy loss both theoretically and empirically, we reformulate the problem as finding a minimum-variance unbiased estimator. Our proposed Delta L Normalization not only provides an unbiased estimate of the true policy loss but also minimizes gradient variance in theory. Extensive experiments show that it consistently achieves superior results across different model sizes, maximum lengths, and tasks. Our code will be made public at https://github.com/zerolllin/Delta-L-Normalization.

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

Diffusion models deliver high-fidelity synthesis but remain slow due to iterative sampling. We empirically observe there exists feature invariance in deterministic sampling, and present InvarDiff, a training-free acceleration method that exploits the relative temporal invariance across timestep-scale and layer-scale. From a few deterministic runs, we compute a per-timestep, per-layer, per-module binary cache plan matrix and use a re-sampling correction to avoid drift when consecutive caches occur. Using quantile-based change metrics, this matrix specifies which module at which step is reused rather than recomputed. The same invariance criterion is applied at the step scale to enable cross-timestep caching, deciding whether an entire step can reuse cached results. During inference, InvarDiff performs step-first and layer-wise caching guided by this matrix. When applied to DiT and FLUX, our approach reduces redundant compute while preserving fidelity. Experiments show that InvarDiff achieves 2-3times end-to-end speed-ups with minimal impact on standard quality metrics. Qualitatively, we observe almost no degradation in visual quality compared with full computations.

Uniform-state discrete diffusion models hold the promise of fast text generation due to their inherent ability to self-correct. However, they are typically outperformed by autoregressive models and masked diffusion models. In this work, we narrow this performance gap by leveraging a key insight: Uniform-state diffusion processes naturally emerge from an underlying Gaussian diffusion. Our method, Duo, transfers powerful techniques from Gaussian diffusion to improve both training and sampling. First, we introduce a curriculum learning strategy guided by the Gaussian process, doubling training speed by reducing variance. Models trained with curriculum learning surpass autoregressive models in zero-shot perplexity on 3 of 7 benchmarks. Second, we present Discrete Consistency Distillation, which adapts consistency distillation from the continuous to the discrete setting. This algorithm unlocks few-step generation in diffusion language models by accelerating sampling by two orders of magnitude. We provide the code and model checkpoints on the project page: http://s-sahoo.github.io/duo

The outcome of Large Language Model (LLM) pre-training strongly depends on weight initialization and variance control strategies. Although the importance of initial variance control has been well documented in neural networks in general, the literature on initialization and management of its growth during LLM pre-training, specifically, is somewhat sparse. In this paper, we introduce the Layer Index Rescaling (LIR) weight initialization scheme, and the Target Variance Rescaling (TVR) variance control strategy. Experiments on a 1B parameter LLaMA model demonstrate that better variance management using these techniques yields substantial improvements in downstream task performance (up to 4.6% on common pre-training benchmarks) and reduces extreme activation values, thus mitigating challenges associated with quantization and low-precision training. Our code is available at: https://github.com/bluorion-com/weight_rescaling.

Best-of-N decoding methods instruct large language models (LLMs) to generate multiple solutions, score each using a scoring function, and select the highest scored as the final answer to mathematical reasoning problems. However, this repeated independent process often leads to the same mistakes, making the selected solution still incorrect. We propose a novel prompting method named Stepwise Correction (StepCo) that helps LLMs identify and revise incorrect steps in their generated reasoning paths. It iterates verification and revision phases that employ a process-supervised verifier. The verify-then-revise process not only improves answer correctness but also reduces token consumption with fewer paths needed to generate. With StepCo, a series of LLMs demonstrate exceptional performance. Notably, using GPT-4o as the backend LLM, StepCo achieves an average accuracy of 94.1 across eight datasets, significantly outperforming the state-of-the-art Best-of-N method by +2.4, while reducing token consumption by 77.8%.

Conventional wisdom suggests that autoregressive models are used to process discrete data. When applied to continuous modalities such as visual data, Visual AutoRegressive modeling (VAR) typically resorts to quantization-based approaches to cast the data into a discrete space, which can introduce significant information loss. To tackle this issue, we introduce a Continuous VAR framework that enables direct visual autoregressive generation without vector quantization. The underlying theoretical foundation is strictly proper scoring rules, which provide powerful statistical tools capable of evaluating how well a generative model approximates the true distribution. Within this framework, all we need is to select a strictly proper score and set it as the training objective to optimize. We primarily explore a class of training objectives based on the energy score, which is likelihood-free and thus overcomes the difficulty of making probabilistic predictions in the continuous space. Previous efforts on continuous autoregressive generation, such as GIVT and diffusion loss, can also be derived from our framework using other strictly proper scores. Source code: https://github.com/shaochenze/EAR.

We introduce an approach aimed at enhancing the reasoning capabilities of Large Language Models (LLMs) through an iterative preference learning process inspired by the successful strategy employed by AlphaZero. Our work leverages Monte Carlo Tree Search (MCTS) to iteratively collect preference data, utilizing its look-ahead ability to break down instance-level rewards into more granular step-level signals. To enhance consistency in intermediate steps, we combine outcome validation and stepwise self-evaluation, continually updating the quality assessment of newly generated data. The proposed algorithm employs Direct Preference Optimization (DPO) to update the LLM policy using this newly generated step-level preference data. Theoretical analysis reveals the importance of using on-policy sampled data for successful self-improving. Extensive evaluations on various arithmetic and commonsense reasoning tasks demonstrate remarkable performance improvements over existing models. For instance, our approach outperforms the Mistral-7B Supervised Fine-Tuning (SFT) baseline on GSM8K, MATH, and ARC-C, with substantial increases in accuracy to 81.8% (+5.9%), 34.7% (+5.8%), and 76.4% (+15.8%), respectively. Additionally, our research delves into the training and inference compute tradeoff, providing insights into how our method effectively maximizes performance gains. Our code is publicly available at https://github.com/YuxiXie/MCTS-DPO.

Federated learning algorithms, such as FedAvg, are negatively affected by data heterogeneity and partial client participation. To mitigate the latter problem, global variance reduction methods, like FedVARP, leverage stale model updates for non-participating clients. These methods are effective under homogeneous client participation. Yet, this paper shows that, when some clients participate much less than others, aggregating updates with different levels of staleness can detrimentally affect the training process. Motivated by this observation, we introduce FedStale, a novel algorithm that updates the global model in each round through a convex combination of "fresh" updates from participating clients and "stale" updates from non-participating ones. By adjusting the weight in the convex combination, FedStale interpolates between FedAvg, which only uses fresh updates, and FedVARP, which treats fresh and stale updates equally. Our analysis of FedStale convergence yields the following novel findings: i) it integrates and extends previous FedAvg and FedVARP analyses to heterogeneous client participation; ii) it underscores how the least participating client influences convergence error; iii) it provides practical guidelines to best exploit stale updates, showing that their usefulness diminishes as data heterogeneity decreases and participation heterogeneity increases. Extensive experiments featuring diverse levels of client data and participation heterogeneity not only confirm these findings but also show that FedStale outperforms both FedAvg and FedVARP in many settings.

The learning rate warmup heuristic achieves remarkable success in stabilizing training, accelerating convergence and improving generalization for adaptive stochastic optimization algorithms like RMSprop and Adam. Here, we study its mechanism in details. Pursuing the theory behind warmup, we identify a problem of the adaptive learning rate (i.e., it has problematically large variance in the early stage), suggest warmup works as a variance reduction technique, and provide both empirical and theoretical evidence to verify our hypothesis. We further propose RAdam, a new variant of Adam, by introducing a term to rectify the variance of the adaptive learning rate. Extensive experimental results on image classification, language modeling, and neural machine translation verify our intuition and demonstrate the effectiveness and robustness of our proposed method. All implementations are available at: https://github.com/LiyuanLucasLiu/RAdam.

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

Language models are often trained to maximize the likelihood of the next token given past tokens in the training dataset. However, during inference time, they are utilized differently, generating text sequentially and auto-regressively by using previously generated tokens as input to predict the next one. Marginal differences in predictions at each step can cascade over successive steps, resulting in different distributions from what the models were trained for and potentially leading to unpredictable behavior. This paper proposes two simple approaches based on model own generation to address this discrepancy between the training and inference time. Our first approach is Batch-Scheduled Sampling, where, during training, we stochastically choose between the ground-truth token from the dataset and the model's own generated token as input to predict the next token. This is done in an offline manner, modifying the context window by interleaving ground-truth tokens with those generated by the model. Our second approach is Reference-Answer-based Correction, where we explicitly incorporate a self-correction capability into the model during training. This enables the model to effectively self-correct the gaps between the generated sequences and the ground truth data without relying on an external oracle model. By incorporating our proposed strategies during training, we have observed an overall improvement in performance compared to baseline methods, as demonstrated by our extensive experiments using summarization, general question-answering, and math question-answering tasks.

Ensembling is among the most popular tools in machine learning (ML) due to its effectiveness in minimizing variance and thus improving generalization. Most ensembling methods for black-box base learners fall under the umbrella of "stacked generalization," namely training an ML algorithm that takes the inferences from the base learners as input. While stacking has been widely applied in practice, its theoretical properties are poorly understood. In this paper, we prove a novel result, showing that choosing the best stacked generalization from a (finite or finite-dimensional) family of stacked generalizations based on cross-validated performance does not perform "much worse" than the oracle best. Our result strengthens and significantly extends the results in Van der Laan et al. (2007). Inspired by the theoretical analysis, we further propose a particular family of stacked generalizations in the context of probabilistic forecasting, each one with a different sensitivity for how much the ensemble weights are allowed to vary across items, timestamps in the forecast horizon, and quantiles. Experimental results demonstrate the performance gain of the proposed method.

We consider the problem of Learning from Label Proportions (LLP), a weakly supervised classification setup where instances are grouped into "bags", and only the frequency of class labels at each bag is available. Albeit, the objective of the learner is to achieve low task loss at an individual instance level. Here we propose Easyllp: a flexible and simple-to-implement debiasing approach based on aggregate labels, which operates on arbitrary loss functions. Our technique allows us to accurately estimate the expected loss of an arbitrary model at an individual level. We showcase the flexibility of our approach by applying it to popular learning frameworks, like Empirical Risk Minimization (ERM) and Stochastic Gradient Descent (SGD) with provable guarantees on instance level performance. More concretely, we exhibit a variance reduction technique that makes the quality of LLP learning deteriorate only by a factor of k (k being bag size) in both ERM and SGD setups, as compared to full supervision. Finally, we validate our theoretical results on multiple datasets demonstrating our algorithm performs as well or better than previous LLP approaches in spite of its simplicity.

Deep neural networks are usually initialized with random weights, with adequately selected initial variance to ensure stable signal propagation during training. However, selecting the appropriate variance becomes challenging especially as the number of layers grows. In this work, we replace random weight initialization with a fully deterministic initialization scheme, viz., ZerO, which initializes the weights of networks with only zeros and ones (up to a normalization factor), based on identity and Hadamard transforms. Through both theoretical and empirical studies, we demonstrate that ZerO is able to train networks without damaging their expressivity. Applying ZerO on ResNet achieves state-of-the-art performance on various datasets, including ImageNet, which suggests random weights may be unnecessary for network initialization. In addition, ZerO has many benefits, such as training ultra deep networks (without batch-normalization), exhibiting low-rank learning trajectories that result in low-rank and sparse solutions, and improving training reproducibility.

The use of positional embeddings in transformer language models is widely accepted. However, recent research has called into question the necessity of such embeddings. We further extend this inquiry by demonstrating that a randomly initialized and frozen transformer language model, devoid of positional embeddings, inherently encodes strong positional information through the shrinkage of self-attention variance. To quantify this variance, we derive the underlying distribution of each step within a transformer layer. Through empirical validation using a fully pretrained model, we show that the variance shrinkage effect still persists after extensive gradient updates. Our findings serve to justify the decision to discard positional embeddings and thus facilitate more efficient pretraining of transformer language models.

Real-life applications of deep neural networks are hindered by their unsteady predictions when faced with noisy inputs and adversarial attacks. The certified radius in this context is a crucial indicator of the robustness of models. However how to design an efficient classifier with an associated certified radius? Randomized smoothing provides a promising framework by relying on noise injection into the inputs to obtain a smoothed and robust classifier. In this paper, we first show that the variance introduced by the Monte-Carlo sampling in the randomized smoothing procedure estimate closely interacts with two other important properties of the classifier, i.e. its Lipschitz constant and margin. More precisely, our work emphasizes the dual impact of the Lipschitz constant of the base classifier, on both the smoothed classifier and the empirical variance. To increase the certified robust radius, we introduce a different way to convert logits to probability vectors for the base classifier to leverage the variance-margin trade-off. We leverage the use of Bernstein's concentration inequality along with enhanced Lipschitz bounds for randomized smoothing. Experimental results show a significant improvement in certified accuracy compared to current state-of-the-art methods. Our novel certification procedure allows us to use pre-trained models with randomized smoothing, effectively improving the current certification radius in a zero-shot manner.

Large language models (LLMs) solve problems more accurately and interpretably when instructed to work out the answer step by step using a ``chain-of-thought'' (CoT) prompt. One can also improve LLMs' performance on a specific task by supervised fine-tuning, i.e., by using gradient ascent on some tunable parameters to maximize the average log-likelihood of correct answers from a labeled training set. Naively combining CoT with supervised tuning requires supervision not just of the correct answers, but also of detailed rationales that lead to those answers; these rationales are expensive to produce by hand. Instead, we propose a fine-tuning strategy that tries to maximize the marginal log-likelihood of generating a correct answer using CoT prompting, approximately averaging over all possible rationales. The core challenge is sampling from the posterior over rationales conditioned on the correct answer; we address it using a simple Markov-chain Monte Carlo (MCMC) expectation-maximization (EM) algorithm inspired by the self-taught reasoner (STaR), memoized wake-sleep, Markovian score climbing, and persistent contrastive divergence. This algorithm also admits a novel control-variate technique that drives the variance of our gradient estimates to zero as the model improves. Applying our technique to GSM8K and the tasks in BIG-Bench Hard, we find that this MCMC-EM fine-tuning technique typically improves the model's accuracy on held-out examples more than STaR or prompt-tuning with or without CoT.

We consider the problem of how a teacher algorithm can enable an unknown Deep Reinforcement Learning (DRL) student to become good at a skill over a wide range of diverse environments. To do so, we study how a teacher algorithm can learn to generate a learning curriculum, whereby it sequentially samples parameters controlling a stochastic procedural generation of environments. Because it does not initially know the capacities of its student, a key challenge for the teacher is to discover which environments are easy, difficult or unlearnable, and in what order to propose them to maximize the efficiency of learning over the learnable ones. To achieve this, this problem is transformed into a surrogate continuous bandit problem where the teacher samples environments in order to maximize absolute learning progress of its student. We present a new algorithm modeling absolute learning progress with Gaussian mixture models (ALP-GMM). We also adapt existing algorithms and provide a complete study in the context of DRL. Using parameterized variants of the BipedalWalker environment, we study their efficiency to personalize a learning curriculum for different learners (embodiments), their robustness to the ratio of learnable/unlearnable environments, and their scalability to non-linear and high-dimensional parameter spaces. Videos and code are available at https://github.com/flowersteam/teachDeepRL.