cs.LGMay 20, 2025

KO: Kinetics-inspired Neural Optimizer with PDE Simulation Approaches

Authors: Mingquan Feng, Yixin Huang, Yifan Fu, Shaobo Wang, Junchi Yan

Organizations: Shanghai Jiao Tong University

Abstract

The design of effective optimization algorithms for neural networks remains a fundamental challenge, and most existing methods rely on heuristic extensions of gradient-based updates. We introduce KO (Kinetics-inspired Optimizer), a plug-and-play optimization module grounded in kinetic theory and partial differential equations. KO models parameter dynamics as a particle system, augmenting standard gradient updates with stochastic interactions induced by a discretization of the Boltzmann transport equation. This mechanism naturally promotes parameter diversity and mitigates weight condensation, the tendency of parameters to collapse into low-dimensional subspaces, a phenomenon closely associated with degraded generalization. We provide both a rigorous theoretical analysis and a physical interpretation, showing that KO provably increases parameter diversity while preserving convergence guarantees. Extensive experiments on image classification benchmarks (CIFAR-10/100, ImageNet) and large-scale language model pretraining demonstrate that KO consistently improves accuracy over competitive baselines with negligible additional computational cost.

Figures & tables

Appendix figures & tables8 assets

Supplementary material from the paper’s appendix.

Appendix

Explore similar work

Jul 8, 2026cs.LG

The Anatomy of Implicit Bias: Information Allocation in Neural Network Training

Implicit bias is usually explained as the preference of an optimization process for certain final solutions and their geometry. This view helps explain where a model finally stops. It gives less direct explanation of how this bias is formed during training. This paper proposes a training-time information allocation view. Under this view, optimization forms a writing pattern for error signals across parameter paths, coordinate channels, and sample regions. This paper builds a set of observable allocation diagnostics. These diagnostics include gradient demand, actual update injection, coordinate gain induced by exponential moving averages, channel-level update ratios, and sample-wise loss distributions. To separate training progress from internal allocation, this paper introduces a collapse--persistence analysis. Under matched training loss, if external loss statistics collapse but internal allocation ratios remain separated, then the factor changes the internal allocation of the training signal. Overall, this paper extends the analysis of implicit bias from final-solution geometry to training-time signal allocation. The main claim is that implicit bias is not only reflected by the final solution. It is also reflected by which parameter paths, coordinate channels, and sample regions receive the error signal first and more strongly during training. Based on this view, this paper places different training factors into a unified information-allocation diagnostic framework. The framework gives a mechanism-level explanation of training-time implicit bias. It also provides a basis for future optimization methods that control training progress and signal allocation separately.
Sep 3, 2025stat.ML

Understanding and Improving Shampoo and SOAP via Kullback-Leibler Minimization

Shampoo and its efficient variant, SOAP, employ structured second-moment estimations and have shown strong performance for training neural networks (NNs). In practice, however, Shampoo typically requires step-size grafting with Adam to be competitive, and SOAP mitigates this by applying Adam in Shampoo's eigenbasis -- at the cost of additional memory overhead from Adam in both methods. Prior analyses have largely relied on the Frobenius norm to motivate these estimation schemes. We instead recast their estimation procedures as covariance estimation under Kullback-Leibler (KL) divergence minimization, revealing a previously overlooked theoretical limitation and motivating principled redesigns. Building on this perspective, we develop KL-Shampoo\textbf{KL-Shampoo} and KL-SOAP\textbf{KL-SOAP}, practical schemes that match or exceed the performance of Shampoo and SOAP in NN pre-training while achieving SOAP-level per-iteration runtime. Notably, KL-Shampoo does not rely on Adam to attain competitive performance, eliminating the memory overhead introduced by Adam. Across our experiments, KL-Shampoo consistently outperforms SOAP, Shampoo, and even KL-SOAP, establishing the KL-based approach as a promising foundation for designing structured methods in NN optimization. An implementation of KL-Shampoo/KL-SOAP is available at https://github.com/yorkerlin/KL-Methods
May 14, 2026cs.LG

Turning Stale Gradients into Stable Gradients: Coherent Coordinate Descent with Implicit Landscape Smoothing for Lightweight Zeroth-Order Optimization

Zeroth-Order (ZO) optimization is pivotal for scenarios where backpropagation is unavailable, such as memory-constrained on-device learning and black-box optimization. However, existing methods face a stark trade-off: they are either sample-inefficient (e.g., standard finite differences) or suffer from high variance due to randomized estimation (e.g., random subspace methods). In this work, we propose Coherent Coordinate Descent (CoCD), a deterministic, sample-efficient, and budget-aware ZO optimizer. Theoretically, we formalize the notion of gradient coherence and demonstrate that CoCD is equivalent to Block Cyclic Coordinate Descent (BCCD) with ``warm starts,'' effectively converting historical (stale) gradients from a liability into a computational asset. This mechanism enables O(1)O(1) query complexity per step while maintaining global descent directions. Furthermore, we derive error bounds revealing a counter-intuitive insight: larger finite-difference step sizes can induce an implicit smoothing effect on the optimization landscape by reducing the effective smoothness constant, thereby improving convergence stability. Experiments on MLP, CNN, and ResNet architectures (up to 270k parameters) demonstrate that CoCD significantly outperforms BCCD in terms of sample efficiency and convergence loss/accuracy, and exhibits superior stability over randomized ZO methods. Our results suggest that deterministic, structure-aware updates offer a superior alternative to randomization for lightweight ZO optimization.