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Supervised learning on molecules has incredible potential to be useful in chemistry, drug discovery, and materials science. Luckily, several promising and closely related neural network models invariant to molecular symmetries have already…

Machine Learning · Computer Science 2017-06-14 Justin Gilmer , Samuel S. Schoenholz , Patrick F. Riley , Oriol Vinyals , George E. Dahl

Recent advances in implicit neural representations show great promise when it comes to generating numerical solutions to partial differential equations. Compared to conventional alternatives, such representations employ parameterized neural…

Machine Learning · Computer Science 2021-11-29 Jonas Zehnder , Yue Li , Stelian Coros , Bernhard Thomaszewski

Model Predictive Controllers (MPC) are widely used for controlling cyber-physical systems. It is an iterative process of optimizing the prediction of the future states of a robot over a fixed time horizon. MPCs are effective in practice,…

Robotics · Computer Science 2022-12-23 Aravindakumar Vijayasri Mohan Kumar

In this paper, we explore a novel image matting task aimed at achieving efficient inference under various computational cost constraints, specifically FLOP limitations, using a single matting network. Existing matting methods which have not…

Computer Vision and Pattern Recognition · Computer Science 2025-03-06 Qinglin Liu , Zonglin Li , Xiaoqian Lv , Xin Sun , Ru Li , Shengping Zhang

Long Short Term Memory(LSTM) models are the building blocks of many state-of-the-art natural language processing(NLP) and speech enhancement(SE) algorithms. However, there are a large number of parameters in an LSTM model. This usually…

Networking and Internet Architecture · Computer Science 2022-04-01 Ze-Feng Gao , Xingwei Sun , Lan Gao , Junfeng Li , Zhong-Yi Lu

Efficient estimation of high-dimensional matrices-including covariance and precision matrices-is a cornerstone of modern multivariate statistics. Most existing studies have focused primarily on the theoretical properties of the estimators…

Machine Learning · Computer Science 2026-03-31 Wan Tian , Hui Yang , Zhouhui Lian , Lingyue Zhang , Yijie Peng

This paper presents a framework to tackle combinatorial optimization problems using neural networks and reinforcement learning. We focus on the traveling salesman problem (TSP) and train a recurrent network that, given a set of city…

Artificial Intelligence · Computer Science 2017-01-16 Irwan Bello , Hieu Pham , Quoc V. Le , Mohammad Norouzi , Samy Bengio

Neutron cross section matrices for fission and scattering data are required for each material, temperature, and enrichment level to calculate the neutron transport equation accurately. This information can be a limiting factor when using…

Computational Physics · Physics 2022-05-12 Ben Whewell , Ryan G. McClarren

Machine Learning models incorporating multiple layered learning networks have been seen to provide effective models for various classification problems. The resulting optimization problem to solve for the optimal vector minimizing the…

Optimization and Control · Mathematics 2018-07-03 Vyacheslav Kungurtsev , Tomas Pevny

In contrast to Part I of this treatise [1] that focuses on the optimization problems associated with single matrix variables, in this paper, we investigate the application of the matrix-monotonic optimization framework in the optimization…

Information Theory · Computer Science 2021-02-24 Chengwen Xing , Shuai Wang , Sheng Chen , Shaodan Ma , H. Vincent Poor , Lajos Hanzo

Traffic forecasting is a challenging problem due to complex road networks and sudden speed changes caused by various events on roads. A number of models have been proposed to solve this challenging problem with a focus on learning…

Machine Learning · Computer Science 2022-03-09 Hyunwook Lee , Seungmin Jin , Hyeshin Chu , Hongkyu Lim , Sungahn Ko

Learning to Optimize (LtO) is a problem setting in which a machine learning (ML) model is trained to emulate a constrained optimization solver. Learning to produce optimal and feasible solutions subject to complex constraints is a difficult…

Machine Learning · Computer Science 2024-03-18 James Kotary , Ferdinando Fioretto

The 2021 NeurIPS Machine Learning for Combinatorial Optimization (ML4CO) competition was designed with the goal of improving state-of-the-art combinatorial optimization solvers by replacing key heuristic components with machine learning…

Machine Learning · Computer Science 2021-12-24 Amin Banitalebi-Dehkordi , Yong Zhang

Solving combinatorial optimization problems involve satisfying a set of hard constraints while optimizing some objectives. In this context, exact or approximate methods can be used. While exact methods guarantee the optimal solution, they…

Artificial Intelligence · Computer Science 2024-09-13 Aymen Ben Said , Malek Mouhoub

This paper surveys the recent attempts at leveraging machine learning to solve constrained optimization problems. It focuses on surveying the work on integrating combinatorial solvers and optimization methods with machine learning…

Machine Learning · Computer Science 2021-03-31 James Kotary , Ferdinando Fioretto , Pascal Van Hentenryck , Bryan Wilder

Following the great success of Machine Learning (ML), especially Deep Neural Networks (DNNs), in many research domains in 2010s, several ML-based approaches were proposed for detection in large inverse linear problems, e.g., massive MIMO…

Signal Processing · Electrical Eng. & Systems 2021-10-22 Edgar Beck , Carsten Bockelmann , Armin Dekorsy

Matrix factorization is an important mathematical problem encountered in the context of dictionary learning, recommendation systems and machine learning. We introduce a new `decimation' scheme that maps it to neural network models of…

Disordered Systems and Neural Networks · Physics 2023-07-12 Francesco Camilli , Marc Mézard

In this work, we propose a model order reduction framework to deal with inverse problems in a non-intrusive setting. Inverse problems, especially in a partial differential equation context, require a huge computational load due to the…

Numerical Analysis · Mathematics 2024-01-22 Anna Ivagnes , Nicola Demo , Gianluigi Rozza

Combinatorial problems arising in puzzles, origami, and (meta)material design have rare sets of solutions, which define complex and sharply delineated boundaries in configuration space. These boundaries are difficult to capture with…

Soft Condensed Matter · Physics 2023-12-21 Ryan van Mastrigt , Marjolein Dijkstra , Martin van Hecke , Corentin Coulais

While Annealing Machines (AM) have shown increasing capabilities in solving complex combinatorial problems, positioning themselves as a more immediate alternative to the expected advances of future fully quantum solutions, there are still…

Artificial Intelligence · Computer Science 2025-01-13 Pablo Loyola , Kento Hasegawa , Andres Hoyos-Idobro , Kazuo Ono , Toyotaro Suzumura , Yu Hirate , Masanao Yamaoka