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Discrete optimization is a central problem in mathematical optimization with a broad range of applications, among which binary optimization and sparse optimization are two common ones. However, these problems are NP-hard and thus difficult…

Optimization and Control · Mathematics 2018-11-26 Ganzhao Yuan , Li Shen , Wei-Shi Zheng

Neural surrogate solvers of partial differential equations (PDEs) promise dramatic speedups over numerical methods, especially in scenarios requiring many solves. However, current accuracy-based evaluations do not fully consider two central…

Machine Learning · Computer Science 2026-05-18 Yijing Zhang , Nicholas Roberts , Tanya Marwah , Mikhail Khodak

Scientific machine learning is an emerging field that broadly describes the combination of scientific computing and machine learning to address challenges in science and engineering. Within the context of differential equations, this has…

Machine Learning · Computer Science 2026-04-03 Laurens R. Lueg , Victor Alves , Daniel Schicksnus , John R. Kitchin , Carl D. Laird , Lorenz T. Biegler

Partial-differential-equation (PDE)-constrained optimization is a well-worn technique for acquiring optimal parameters of systems governed by PDEs. However, this approach is limited to providing a single set of optimal parameters per…

Computational Physics · Physics 2024-10-17 Archis S. Joglekar

Neural networks have shown great potential in accelerating the solution of partial differential equations (PDEs). Recently, there has been a growing interest in introducing physics constraints into training neural PDE solvers to reduce the…

Machine Learning · Computer Science 2023-05-30 Xinquan Huang , Wenlei Shi , Qi Meng , Yue Wang , Xiaotian Gao , Jia Zhang , Tie-Yan Liu

Particle Swarm Optimization (PSO) has emerged as a powerful metaheuristic global optimization approach over the past three decades. Its appeal lies in its ability to tackle complex multidimensional problems that defy conventional…

Neural and Evolutionary Computing · Computer Science 2023-12-18 Arun K Pujari , Sowmini Devi Veeramachaneni

Surrogate models are critical for accelerating computationally expensive simulations in science and engineering, particularly for solving parametric partial differential equations (PDEs). Developing practical surrogate models poses…

Numerical Analysis · Mathematics 2025-06-17 Chenyu Zeng , Yanshu Zhang , Jiayi Zhou , Yuhan Wang , Zilin Wang , Yuhao Liu , Lei Wu , Daniel Zhengyu Huang

We propose a partial differential-integral equation (PDE) framework for deep neural networks (DNNs) and their associated learning problem by taking the continuum limits of both network width and depth. The proposed model captures the…

Optimization and Control · Mathematics 2024-11-12 Peter Markowich , Simone Portaro

The modeling and control of complex physical systems are essential in real-world problems. We propose a novel framework that is generally applicable to solving PDE-constrained optimal control problems by introducing surrogate models for PDE…

Optimization and Control · Mathematics 2023-12-27 Rakhoon Hwang , Jae Yong Lee , Jin Young Shin , Hyung Ju Hwang

In this paper we establish a connection between non-convex optimization methods for training deep neural networks and nonlinear partial differential equations (PDEs). Relaxation techniques arising in statistical physics which have already…

Machine Learning · Computer Science 2017-06-05 Pratik Chaudhari , Adam Oberman , Stanley Osher , Stefano Soatto , Guillaume Carlier

With increasing data and model complexities, the time required to train neural networks has become prohibitively large. To address the exponential rise in training time, users are turning to data parallel neural networks (DPNN) to utilize…

Machine Learning · Computer Science 2022-02-09 Daniel Coquelin , Charlotte Debus , Markus Götz , Fabrice von der Lehr , James Kahn , Martin Siggel , Achim Streit

Partial differential equation (PDE)-constrained optimization, where an optimization problem is subject to PDE constraints, arises in various applications such as design, control, and inference. Solving such problems is computationally…

Quantum Physics · Physics 2026-05-29 Yuki Sato , Jumpei Kato , Hiroshi Yano , Kosuke Ito , Naoki Yamamoto

Many engineering and scientific fields have recently become interested in modeling terms in partial differential equations (PDEs) with neural networks, which requires solving the inverse problem of learning neural network terms from…

Machine Learning · Computer Science 2026-03-30 Konstantin Riedl , Justin Sirignano , Konstantinos Spiliopoulos

First-order optimization (FOO) algorithms are pivotal in numerous computational domains such as machine learning and signal denoising. However, their application to complex tasks like neural network training often entails significant…

Machine Learning · Computer Science 2024-10-30 Yao Shu , Jiongfeng Fang , Ying Tiffany He , Fei Richard Yu

This paper presents a framework to tackle constrained combinatorial optimization problems using deep Reinforcement Learning (RL). To this end, we extend the Neural Combinatorial Optimization (NCO) theory in order to deal with constraints in…

Machine Learning · Computer Science 2020-06-23 Ruben Solozabal , Josu Ceberio , Martin Takáč

Recent advancements in Large Reasoning Models (LRMs), exemplified by DeepSeek-R1, have underscored the potential of scaling inference-time compute through Group Relative Policy Optimization (GRPO). However, GRPO frequently suffers from…

Artificial Intelligence · Computer Science 2026-02-09 Yu Zhao , Fan Jiang , Tianle Liu , Bo Zeng , Yu Liu , Longyue Wang , Weihua Luo

Calibration of neural networks is a topical problem that is becoming more and more important as neural networks increasingly underpin real-world applications. The problem is especially noticeable when using modern neural networks, for which…

Machine Learning · Computer Science 2023-08-29 Ondrej Bohdal , Yongxin Yang , Timothy Hospedales

Shape optimization under uncertainty (OUU) is computationally intensive for classical PDE-based methods due to the high cost of repeated sampling-based risk evaluation across many uncertainty realizations and varying geometries, while…

Optimization and Control · Mathematics 2026-03-04 Xindi Gong , Dingcheng Luo , Thomas O'Leary-Roseberry , Ruanui Nicholson , Omar Ghattas

This paper studies a distributed multi-agent convex optimization problem. The system comprises multiple agents in this problem, each with a set of local data points and an associated local cost function. The agents are connected to a…

Optimization and Control · Mathematics 2021-08-20 Kushal Chakrabarti , Nirupam Gupta , Nikhil Chopra

We propose a neural network-based meta-learning method to efficiently solve partial differential equation (PDE) problems. The proposed method is designed to meta-learn how to solve a wide variety of PDE problems, and uses the knowledge for…

Machine Learning · Statistics 2023-10-23 Tomoharu Iwata , Yusuke Tanaka , Naonori Ueda