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Classical molecular dynamics (MD) simulations enable modeling of materials and examination of microscopic details that are not accessible experimentally. The predictive capability of MD relies on the force field (FF) used to describe…

Model-based reinforcement learning approaches leverage a forward dynamics model to support planning and decision making, which, however, may fail catastrophically if the model is inaccurate. Although there are several existing methods…

Machine Learning · Computer Science 2020-09-30 Hang Lai , Jian Shen , Weinan Zhang , Yong Yu

The paper addresses the problem of optimizing a class of composite functions on Riemannian manifolds and a new first order optimization algorithm (FOA) with a fast convergence rate is proposed. Through the theoretical analysis for FOA, it…

Numerical Analysis · Computer Science 2015-12-08 Haoran Chen , Yanfeng Sun , Junbin Gao , Yongli Hu

The complexity of performance-based building design stems from the evaluation of numerous candidate design options, driven by the plethora of variables, objectives, and constraints inherent in multi-disciplinary projects. This necessitates…

Neural and Evolutionary Computing · Computer Science 2025-01-28 Riccardo Talami , Jonathan Wright , Bianca Howard

Robust topology optimization (RTO), as a class of topology optimization problems, identifies a design with the best average performance while reducing the response sensitivity to input uncertainties, e.g. load uncertainty. Solving RTO is…

Machine Learning · Computer Science 2024-08-22 Rini Jasmine Gladstone , Mohammad Amin Nabian , Vahid Keshavarzzadeh , Hadi Meidani

Recent deep reinforcement learning methods have achieved remarkable success in solving multi-objective combinatorial optimization problems (MOCOPs) by decomposing them into multiple subproblems, each associated with a specific weight…

Artificial Intelligence · Computer Science 2026-03-23 Mingfeng Fan , Jianan Zhou , Yifeng Zhang , Yaoxin Wu , Jinbiao Chen , Guillaume Adrien Sartoretti

Modern deep learning heavily depends on adaptive optimizers such as Adam and its variants, which are renowned for their capacity to handle model scaling and streamline hyperparameter tuning. However, these algorithms typically experience…

Machine Learning · Computer Science 2024-10-18 Son Nguyen , Lizhang Chen , Bo Liu , Qiang Liu

Modular product design has become a strategic enabler for companies seeking to balance product variety, operational efficiency, and market responsiveness, making the alignment between modular architecture and manufacturing considerations…

Systems and Control · Electrical Eng. & Systems 2025-10-14 Fabio Marco Monetti , Adam Lundström , Colin de Kwant , Magnus Gyllenskepp , Antonio Maffei

Popular machine learning approaches forgo second-order information due to the difficulty of computing curvature in high dimensions. We present FOSI, a novel meta-algorithm that improves the performance of any base first-order optimizer by…

Machine Learning · Computer Science 2024-03-08 Hadar Sivan , Moshe Gabel , Assaf Schuster

Multi-objective optimization is key to solving many Engineering Design problems, where design parameters are optimized for several performance indicators. However, optimization results are highly dependent on how the designs are…

Machine Learning · Computer Science 2021-09-29 Wei Chen , Faez Ahmed

Choosing a suitable ML model is a complex task that can depend on several objectives, e.g., accuracy, fairness, or energy consumption. In practice, this requires trading off multiple, often competing, objectives through multi-objective…

Machine Learning · Computer Science 2026-05-07 Daphne Theodorakopoulos , Marcel Wever , Marius Lindauer

The performance of modern machine learning algorithms depends upon the selection of a set of hyperparameters. Common examples of hyperparameters are learning rate and the number of layers in a dense neural network. Auto-ML is a branch of…

Machine Learning · Computer Science 2024-01-01 Joshua Inman , Tanmay Khandait , Giulia Pedrielli , Lalitha Sankar

Recent years have seen an increased interest in large-scale analytical dataflows on non-relational data. These dataflows are compiled into execution graphs scheduled on large compute clusters. In many novel application areas the predominant…

Databases · Computer Science 2013-11-26 Astrid Rheinländer , Arvid Heise , Fabian Hueske , Ulf Leser , Felix Naumann

The Fast Folding Algorithm (FFA) is a phase-coherent search technique for periodic signals. It has rarely been used in radio pulsar searches, having been historically supplanted by the less computationally expensive Fast Fourier Transform…

Instrumentation and Methods for Astrophysics · Physics 2020-08-12 V. Morello , E. D. Barr , B. W. Stappers , E. F. Keane , A. G. Lyne

Hyperparameter optimization (HPO) is a fundamental problem in automatic machine learning (AutoML). However, due to the expensive evaluation cost of models (e.g., training deep learning models or training models on large datasets), vanilla…

Machine Learning · Computer Science 2021-08-03 Yang Li , Yu Shen , Jiawei Jiang , Jinyang Gao , Ce Zhang , Bin Cui

Fine-tuning large foundation models presents significant memory challenges due to stateful optimizers like AdamW, often requiring several times more GPU memory than inference. While memory-efficient methods like parameter-efficient…

Machine Learning · Computer Science 2025-07-14 Pouria Mahdavinia , Mehrdad Mahdavi

In contrast to the many continuous global optimization methods that assume the objective function and constraints are factorable, we study how to find globally maximal solutions to problems that are not factorable, focusing on a particular…

Optimization and Control · Mathematics 2022-08-31 Hugh Medal , Izuwa Ahanor

In this paper we study the problem of learning from multiple modal data for purpose of document classification. In this problem, each document is composed two different modals of data, i.e., an image and a text. Cross-modal factor analysis…

Machine Learning · Computer Science 2015-08-19 Jingbin Wang , Yihua Zhou , Kanghong Duan , Jim Jing-Yan Wang , Halima Bensmail

This paper considers the estimation and inference of the low-rank components in high-dimensional matrix-variate factor models, where each dimension of the matrix-variates ($p \times q$) is comparable to or greater than the number of…

Statistics Theory · Mathematics 2022-10-20 Elynn Y. Chen , Jianqing Fan

In this letter, we propose a model parameter identification method via a hyperparameter optimization scheme (MI-HPO). Our method adopts an efficient explore-exploit strategy to identify the parameters of dynamic models in a data-driven…

Robotics · Computer Science 2023-08-08 Hyunki Seong , Chanyoung Chung , David Hyunchul Shim