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Stepping Forward on the Last Mile

Neural Information Processing Systems

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


Online Composite Optimization Between Stochastic and Adversarial Environments

Neural Information Processing Systems

We study online composite optimization under the Stochastically Extended Adversarial (SEA) model. Specifically, each loss function consists of two parts: a fixed non-smooth and convex regularizer, and a time-varying function which can be chosen either stochastically, adversarially, or in a manner that interpolates between the two extremes. In this setting, we show that for smooth and convex time-varying functions, optimistic composite mirror descent (OptCMD) can obtain an $\mathcal{O}(\sqrt{\sigma_{1:T}^2} + \sqrt{\Sigma_{1:T}^2})$ regret bound, where $\sigma_{1:T}^2$ and $\Sigma_{1:T}^2$ denote the cumulative stochastic variance and the cumulative adversarial variation of time-varying functions, respectively.



Is Cross-validation the Gold Standard to Estimate Out-of-sample Model Performance?

Neural Information Processing Systems

Cross-Validation (CV) is the default choice for estimate the out-of-sample performance of machine learning models. Despite its wide usage, their statistical benefits have remained half-understood, especially in challenging nonparametric regimes. In this paper we fill in this gap and show that, in terms of estimating the out-of-sample performances, for a wide spectrum of models, CV does not statistically outperform the simple ``plug-in'' approach where one reuses training data for testing evaluation. Specifically, in terms of both the asymptotic bias and coverage accuracy of the associated interval for out-of-sample evaluation, $K$-fold CV provably cannot outperform plug-in regardless of the rate at which the parametric or nonparametric models converge. Leave-one-out CV can have a smaller bias as compared to plug-in; however, this bias improvement is negligible compared to the variability of the evaluation, and in some important cases leave-one-out again does not outperform plug-in once this variability is taken into account. We obtain our theoretical comparisons via a novel higher-order Taylor analysis that dissects the limit theorems of testing evaluations, which applies to model classes that are not amenable to previously known sufficient conditions. Our numerical results demonstrate that plug-in performs indeed no worse than CV in estimating model performance across a wide range of examples.


A Nearly Optimal and Low-Switching Algorithm for Reinforcement Learning with General Function Approximation

Neural Information Processing Systems

The exploration-exploitation dilemma has been a central challenge in reinforcement learning (RL) with complex model classes. In this paper, we propose a new algorithm, Monotonic Q-Learning with Upper Confidence Bound (MQL-UCB) for RL with general function approximation. Our key algorithmic design includes (1) a general deterministic policy-switching strategy that achieves low switching cost, (2) a monotonic value function structure with carefully controlled function class complexity, and (3) a variance-weighted regression scheme that exploits historical trajectories with high data efficiency. MQL-UCB achieves minimax optimal regret of $\tilde{O}(d\sqrt{HK})$ when $K$ is sufficiently large and near-optimal policy switching cost of $\tilde{O}(dH)$, with $d$ being the eluder dimension of the function class, $H$ being the planning horizon, and $K$ being the number of episodes.



Accelerating Augmentation Invariance Pretraining

Neural Information Processing Systems

Our work tackles the computational challenges of contrastive learning methods, particularly for the pretraining of Vision Transformers (ViTs). Despite the effectiveness of contrastive learning, the substantial computational resources required for training often hinder their practical application. To mitigate this issue, we propose an acceleration framework, leveraging ViT's unique ability to generalize across inputs of varying sequence lengths. Our method employs a mix of sequence compression strategies, including randomized token dropout and flexible patch scaling, to reduce the cost of gradient estimation and accelerate convergence. We further provide an in-depth analysis of the gradient estimation error of various acceleration strategies as well as their impact on downstream tasks, offering valuable insights into the trade-offs between acceleration and performance. We also propose a novel procedure to identify an optimal acceleration schedule to adjust the sequence compression ratios to the training progress, ensuring efficient training without sacrificing downstream performance. Our approach significantly reduces computational overhead across various self-supervised learning algorithms on large-scale datasets. In ImageNet, our method achieves speedups of 4$\times$ in MoCo, 3.3$\times$ in SimCLR, and 2.5$\times$ in DINO, demonstrating substantial efficiency gains.


Test-time Adaptation in Non-stationary Environments via Adaptive Representation Alignment

Neural Information Processing Systems

Adapting to distribution shifts is a critical challenge in modern machine learning, especially as data in many real-world applications accumulate continuously in the form of streams. We investigate the problem of sequentially adapting a model to non-stationary environments, where the data distribution is continuously shifting and only a small amount of unlabeled data are available each time. Continual test-time adaptation methods have shown promising results by using reliable pseudo-labels, but they still fall short in exploring representation alignment with the source domain in non-stationary environments. In this paper, we propose to leverage non-stationary representation learning to adaptively align the unlabeled data stream, with its changing distributions, to the source data representation using a sketch of the source data. To alleviate the data scarcity in non-stationary representation learning, we propose a novel adaptive representation alignment algorithm called Ada-ReAlign. This approach employs a group of base learners to explore different lengths of the unlabeled data stream, which are adaptively combined by a meta learner to handle unknown and continuously evolving data distributions. The proposed method comes with nice theoretical guarantees under convexity assumptions. Experiments on both benchmark datasets and a real-world application validate the effectiveness and adaptability of our proposed algorithm.


Temporal Graph Neural Tangent Kernel with Graphon-Guaranteed

Neural Information Processing Systems

In practice, graph data carries complex information among entities that inevitably evolves over time, and previous static graph neural tangent kernel methods may be stuck in the sub-optimal solution in terms of both effectiveness and efficiency. As a result, extending the advantage of GNTK to temporal graphs becomes a critical problem. To this end, we propose the temporal graph neural tangent kernel, which not only extends the simplicity and interpretation ability of GNTK to the temporal setting but also leads to rigorous temporal graph classification error bounds. Furthermore, we prove that when the input temporal graph grows over time in the number of nodes, our temporal graph neural tangent kernel will converge in the limit to the _graphon_ NTK value, which implies the transferability and robustness of the proposed kernel method, named **Temp**oral **G**raph **N**eural **T**angent **K**ernel with **G**raphon-**G**uaranteed or **Temp-G$^3$NTK**. In addition to the theoretical analysis, we also perform extensive experiments, not only demonstrating the superiority of Temp-G$^3$NTK in the temporal graph classification task, but also showing that Temp-G^3NTK can achieve very competitive performance in node-level tasks like node classification compared with various SOTA graph kernel and representation learning baselines.


Hypothesis Testing the Circuit Hypothesis in LLMs

Neural Information Processing Systems

Large language models (LLMs) demonstrate surprising capabilities, but we do not understand how they are implemented. One hypothesis suggests that these capabilities are primarily executed by small subnetworks within the LLM, known as circuits. But how can we evaluate this hypothesis?In this paper, we formalize a set of criteria that a circuit is hypothesized to meet and develop a suite of hypothesis tests to evaluate how well circuits satisfy them. The criteria focus on the extent to which the LLM's behavior is preserved, the degree of localization of this behavior, and whether the circuit is minimal.We apply these tests to six circuits described in the research literature. We find that synthetic circuits -- circuits that are hard-coded in the model -- align with the idealized properties. Circuits discovered in Transformer models satisfy the criteria to varying degrees.To facilitate future empirical studies of circuits, we created the \textit{circuitry} package, a wrapper around the \textit{TransformerLens} library, which abstracts away lower-level manipulations of hooks and activations.