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Solving partial differential equations remains a central challenge in scientific machine learning. Neural operators offer a promising route by learning mappings between function spaces and enabling resolution-independent inference, yet they…

Machine Learning · Computer Science 2026-02-03 Paolo Marcandelli , Natansh Mathur , Stefano Markidis , Martina Siena , Stefano Mariani

In deep learning, different kinds of deep networks typically need different optimizers, which have to be chosen after multiple trials, making the training process inefficient. To relieve this issue and consistently improve the model…

Machine Learning · Computer Science 2024-12-02 Xingyu Xie , Pan Zhou , Huan Li , Zhouchen Lin , Shuicheng Yan

Gradient-based minimax optimal algorithms have greatly promoted the development of continuous optimization and machine learning. One seminal work due to Yurii Nesterov [Nes83a] established $\tilde{\mathcal{O}}(\sqrt{L/\mu})$ gradient…

Machine Learning · Computer Science 2023-12-07 Yuanshi Liu , Hanzhen Zhao , Yang Xu , Pengyun Yue , Cong Fang

Matrix-based optimizers have demonstrated immense potential in training Large Language Models (LLMs), however, designing an ideal optimizer remains a formidable challenge. A superior optimizer must satisfy three core desiderata: efficiency,…

Machine Learning · Computer Science 2026-05-06 Jinghui Yuan , Jiaxuan Zou , Shuo Wang , Yong Liu , Feiping Nie

In this paper, we introduce the Spectral Coefficient Learning via Operator Network (SCLON), a novel operator learning-based approach for solving parametric partial differential equations (PDEs) without the need for data harnessing. The…

Machine Learning · Computer Science 2023-10-04 Junho Choi , Taehyun Yun , Namjung Kim , Youngjoon Hong

We introduce a novel algorithm for gradient-based optimization of stochastic objective functions. The method may be seen as a variant of SGD with momentum equipped with an adaptive learning rate automatically adjusted by an 'energy'…

Optimization and Control · Mathematics 2022-03-24 Hailiang Liu , Xuping Tian

Brain-inspired Spiking Neural Networks (SNNs) have the characteristics of event-driven and high energy-efficient, which are different from traditional Artificial Neural Networks (ANNs) when deployed on edge devices such as neuromorphic…

Computer Vision and Pattern Recognition · Computer Science 2023-08-10 Jue Chen , Huan Yuan , Jianchao Tan , Bin Chen , Chengru Song , Di Zhang

We consider constrained optimization problems with a nonsmooth objective function in the form of mathematical expectation. The Sample Average Approximation (SAA) is used to estimate the objective function and variable sample size strategy…

Optimization and Control · Mathematics 2022-08-09 Natasa Krejic , Natasa Krklec Jerinkic , Tijana Ostojic

The Muon optimizer is consistently faster than Adam in training Large Language Models (LLMs), yet the mechanism underlying its success remains unclear. This paper demystifies this mechanism through the lens of associative memory. By…

Machine Learning · Computer Science 2025-10-07 Shuche Wang , Fengzhuo Zhang , Jiaxiang Li , Cunxiao Du , Chao Du , Tianyu Pang , Zhuoran Yang , Mingyi Hong , Vincent Y. F. Tan

This work presents a novel, fully Riemannian framework for Low-Rank Adaptation (LoRA) that geometrically treats low-rank adapters by optimizing them directly on the fixed-rank manifold. This formulation eliminates the parametrization…

This study presents a dynamic safety margin-based reinforcement learning framework for local motion planning in dynamic and uncertain environments. The proposed planner integrates real-time trajectory optimization with adaptive gap…

Robotics · Computer Science 2025-05-20 Tengfei Liu , Haoyang Zhong , Jiazheng Hu , Tan Zhang

Efficient and robust optimization is essential for neural networks, enabling scientific machine learning models to converge rapidly to very high accuracy -- faithfully capturing complex physical behavior governed by differential equations.…

Structure-Based molecule optimization (SBMO) aims to optimize molecules with both continuous coordinates and discrete types against protein targets. A promising direction is to exert gradient guidance on generative models given its…

Biomolecules · Quantitative Biology 2025-06-06 Keyue Qiu , Yuxuan Song , Jie Yu , Hongbo Ma , Ziyao Cao , Zhilong Zhang , Yushuai Wu , Mingyue Zheng , Hao Zhou , Wei-Ying Ma

Physics-Informed Neural Networks (PINNs) often suffer from slow convergence, training instability, and reduced accuracy on challenging partial differential equations due to the anisotropic and rapidly varying geometry of their loss…

Machine Learning · Computer Science 2026-04-20 Kang An , Chenhao Si , Shiqian Ma , Ming Yan

Small-molecule identification from tandem mass spectrometry (MS/MS) remains a bottleneck in untargeted settings where spectral libraries are incomplete. While deep learning offers a solution, current approaches typically fall into two…

Machine Learning · Computer Science 2026-03-05 Yinkai Wang , Yan Zhou Chen , Xiaohui Chen , Li-Ping Liu , Soha Hassoun

Stochastic Gradient Descent (SGD) and its momentum variants form the backbone of deep learning optimization, yet the underlying dynamics of their gradient behavior remain insufficiently understood. In this work, we reinterpret gradient…

Machine Learning · Computer Science 2026-03-09 Zhipeng Yao , Rui Yu , Guisong Chang , Ying Li , Yu Zhang , Dazhou Li

We present a gradient-based meta-learning framework for rapid adaptation of neural state-space models (NSSMs) for black-box system identification. When applicable, we also incorporate domain-specific physical constraints to improve the…

Multimodal recommendation aims to integrate collaborative signals with heterogeneous content such as visual and textual information, but remains challenged by modality-specific noise, semantic inconsistency, and unstable propagation over…

Information Retrieval · Computer Science 2026-02-02 Wei Yang , Rui Zhong , Yiqun Chen , Chi Lu , Peng Jiang

This paper considers stochastic optimization problems for a large class of objective functions, including convex and continuous submodular. Stochastic proximal gradient methods have been widely used to solve such problems; however, their…

Optimization and Control · Mathematics 2018-11-13 Aryan Mokhtari , Hamed Hassani , Amin Karbasi

In this paper, we propose DeMuon, a method for decentralized matrix optimization over a given communication topology. DeMuon incorporates matrix orthogonalization via Newton-Schulz iterations-a technique inherited from its centralized…

Optimization and Control · Mathematics 2025-10-03 Chuan He , Shuyi Ren , Jingwei Mao , Erik G. Larsson