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Physics-constrained machine learning (PCML) combines physical models with data-driven approaches to improve reliability, generalizability, and interpretability. Although PCML has shown significant benefits in diverse scientific and…

Machine Learning · Computer Science 2025-08-29 Angan Mukherjee , Victor M. Zavala

Large-scale constrained optimization problems are at the core of many tasks in control, signal processing, and machine learning. Notably, problems with functional constraints arise when, beyond a performance{\nobreakdash-}centric goal…

Optimization and Control · Mathematics 2025-05-15 Antesh Upadhyay , Sang Bin Moon , Abolfazl Hashemi

Although the field of distributed optimization is well-developed, relevant literature focused on the application of distributed optimization to multi-robot problems is limited. This survey constitutes the second part of a two-part series on…

Robotics · Computer Science 2024-12-02 Ola Shorinwa , Trevor Halsted , Javier Yu , Mac Schwager

In the past few years, the area of Machine Learning (ML) has witnessed tremendous advancements, becoming a pervasive technology in a wide range of applications. One area that can significantly benefit from the use of ML is Combinatorial…

Artificial Intelligence · Computer Science 2018-07-17 Michele Lombardi , Michela Milano

We develop a combined machine learning (ML) and quantum mechanics approach that enables data-efficient reconstruction of flexible molecular force fields from high-level ab initio calculations, through the consideration of fundamental…

Computational Physics · Physics 2021-04-14 Stefan Chmiela , Huziel E. Sauceda , Alexandre Tkatchenko , Klaus-Robert Müller

Optimization modeling plays a critical role in the application of Operations Research (OR) tools to address real-world problems, yet they pose challenges and require extensive expertise from OR experts. With the advent of large language…

Computation and Language · Computer Science 2025-07-30 Chenyu Huang , Zhengyang Tang , Shixi Hu , Ruoqing Jiang , Xin Zheng , Dongdong Ge , Benyou Wang , Zizhuo Wang

Scientific machine learning (SciML) increasingly requires models that capture multimodal conditional uncertainty arising from ill-posed inverse problems, multistability, and chaotic dynamics. While recent work has favored highly expressive…

Machine Learning · Computer Science 2026-02-03 Leonardo Ferreira Guilhoto , Akshat Kaushal , Paris Perdikaris

Uncertainty in optimization is often represented as stochastic parameters in the optimization model. In Predict-Then-Optimize approaches, predictions of a machine learning model are used as values for such parameters, effectively…

Machine Learning · Computer Science 2025-12-03 Pieter Smet

Solving massive-scale optimization problems requires scalable first-order methods with low per-iteration cost. This tutorial highlights a shift in optimization: using differentiable programming not only to execute algorithms but to learn…

Mathematical Software · Computer Science 2026-03-02 Liping Tao , Xindi Tong , Chee Wei Tan

We study the effect of stochasticity in on-policy policy optimization, and make the following four contributions. First, we show that the preferability of optimization methods depends critically on whether stochastic versus exact gradients…

Machine Learning · Computer Science 2021-11-01 Jincheng Mei , Bo Dai , Chenjun Xiao , Csaba Szepesvari , Dale Schuurmans

In this paper, we propose a machine learning (ML) method to learn how to solve a generic constrained continuous optimization problem. To the best of our knowledge, the generic methods that learn to optimize, focus on unconstrained…

Machine Learning · Computer Science 2021-01-05 Seyedrazieh Bayati , Faramarz Jabbarvaziri

This survey is focused on certain sequential decision-making problems that involve optimizing over probability functions. We discuss the relevance of these problems for learning and control. The survey is organized around a framework that…

Optimization and Control · Mathematics 2023-01-13 Emiland Garrabe , Giovanni Russo

In recent years, model-agnostic meta-learning (MAML) has become a popular research area. However, the stochastic optimization of MAML is still underdeveloped. Existing MAML algorithms rely on the ``episode'' idea by sampling a few tasks and…

Machine Learning · Computer Science 2023-04-26 Bokun Wang , Zhuoning Yuan , Yiming Ying , Tianbao Yang

Physics-informed machine learning (PIML) is crucial in modern traffic flow modeling because it combines the benefits of both physics-based and data-driven approaches. In conventional PIML, physical information is typically incorporated by…

Machine Learning · Computer Science 2025-09-23 Yuan-Zheng Lei , Yaobang Gong , Dianwei Chen , Yao Cheng , Xianfeng Terry Yang

Optimization in machine learning, both theoretical and applied, is presently dominated by first-order gradient methods such as stochastic gradient descent. Second-order optimization methods, that involve second derivatives and/or second…

Machine Learning · Computer Science 2021-03-08 Rohan Anil , Vineet Gupta , Tomer Koren , Kevin Regan , Yoram Singer

Machine Learning (ML) is an expressive framework for turning data into computer programs. Across many problem domains -- both in industry and policy settings -- the types of computer programs needed for accurate prediction or optimal…

Machine Learning · Computer Science 2023-12-21 Elliot Creager

(Partial) differential equations (PDEs) are fundamental tools for describing natural phenomena, making their solution crucial in science and engineering. While traditional methods, such as the finite element method, provide reliable…

Machine Learning · Computer Science 2025-03-11 Viggo Moro , Luiz F. O. Chamon

End-to-end learning has become a widely applicable and studied problem in training predictive ML models to be aware of their impact on downstream decision-making tasks. These end-to-end models often outperform traditional methods that…

Machine Learning · Computer Science 2025-05-19 Rares Cristian , Pavithra Harsha , Georgia Perakis , Brian Quanz

Classical supervised learning via empirical risk (or negative log-likelihood) minimization hinges upon the assumption that the testing distribution coincides with the training distribution. This assumption can be challenged in modern…

Optimization and Control · Mathematics 2020-10-02 Yassine Laguel , Jérôme Malick , Zaid Harchaoui

Dynamical analysis of manufacturing and natural systems provides critical information about production of manufactured and natural resources respectively, thus playing an important role in assessing sustainability of these systems. However,…

Systems and Control · Electrical Eng. & Systems 2021-10-19 William Farlessyost , Shweta Singh
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