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Automated Machine Learning encompasses a set of meta-algorithms intended to design and apply machine learning techniques (e.g., model selection, hyperparameter tuning, model assessment, etc.). TPOT, a software for optimizing machine…

Machine Learning · Computer Science 2018-01-16 Unai Garciarena , Alexander Mendiburu , Roberto Santana

Pre-trained vision-language models like CLIP have remarkably adapted to various downstream tasks. Nonetheless, their performance heavily depends on the specificity of the input text prompts, which requires skillful prompt template…

Machine Learning · Computer Science 2024-10-22 Yingjun Du , Wenfang Sun , Cees G. M. Snoek

Machine learning (ML)-based interatomic potentials are currently garnering a lot of attention as they strive to achieve the accuracy of electronic structure methods at the computational cost of empirical potentials. Given their generic…

Computational Physics · Physics 2020-02-20 Mariia Karabin , Danny Perez

Machine learning interatomic potentials (MLIPs) with broad chemical flexibility are important for atomistic simulations of compositionally complex materials such as high-entropy alloys. Here, we study two state-of-the-art MLIP frameworks,…

Materials Science · Physics 2026-04-06 Fei Shuang , Penghua Ying , Kai Liu , Zixiong Wei , Fengxian Liu , Zheyong Fan , Minqiang Jiang , Poulumi Dey

This field case study aims to address the challenge of accurately predicting petrophysical properties in heterogeneous reservoir formations, which can significantly impact reservoir performance predictions. The study employed three machine…

Geophysics · Physics 2023-05-15 Fethi Ali Cheddad

The core of molecular dynamics simulation fundamentally lies in the interatomic potential. Traditional empirical potentials lack accuracy, while first-principles methods are computationally prohibitive. Machine learning interatomic…

Machine Learning · Computer Science 2026-03-25 Shuyu Bi , Zhede Zhao , Qiangchao Sun , Tao Hu , Xionggang Lu , Hongwei Cheng

Interpretability studies often involve tracing the flow of information through machine learning models to identify specific model components that perform relevant computations for tasks of interest. Prior work quantifies the importance of a…

Machine Learning · Computer Science 2024-09-17 Maximilian Li , Lucas Janson

Various methods for solving the inverse reinforcement learning (IRL) problem have been developed independently in machine learning and economics. In particular, the method of Maximum Causal Entropy IRL is based on the perspective of entropy…

Machine Learning · Computer Science 2021-03-05 Navyata Sanghvi , Shinnosuke Usami , Mohit Sharma , Joachim Groeger , Kris Kitani

This paper presents an efficient gradient projection-based method for structural topological optimization problems characterized by a nonlinear objective function which is minimized over a feasible region defined by bilateral bounds and a…

Computational Engineering, Finance, and Science · Computer Science 2020-06-16 Zhi Zeng , Fulei Ma

Structural learning, a method to estimate the parameters for discrete energy minimization, has been proven to be effective in solving computer vision problems, especially in 3D scene parsing. As the complexity of the models increases,…

Computer Vision and Pattern Recognition · Computer Science 2017-01-13 Mengtian Li , Daniel Huber

Empirical data plays an important role in evolutionary computation research. To make better use of the available data, ontologies have been proposed in the literature to organize their storage in a structured way. However, the full…

Neural and Evolutionary Computing · Computer Science 2023-01-25 Ana Kostovska , Diederick Vermetten , Sašo Džeroski , Panče Panov , Tome Eftimov , Carola Doerr

Recently developed machine learning techniques, in association with the Internet of Things (IoT) allow for the implementation of a method of increasing oil production from heavy-oil wells. Steam flood injection, a widely used enhanced oil…

Machine Learning · Statistics 2019-09-02 Mi Yan , Jonathan C. MacDonald , Chris T. Reaume , Wesley Cobb , Tamas Toth , Sarah S. Karthigan

The Discrete Element Method is widely employed for simulating granular flows, but conventional integration techniques may produce unphysical results for simulations with static friction when particle size ratios exceed $R \approx 3$. These…

Computational Physics · Physics 2025-09-16 Dhairya R. Vyas , Julio M. Ottino , Richard M. Lueptow , Paul B. Umbanhowar

The facility location problems (FLPs) are a typical class of NP-hard combinatorial optimization problems, which are widely seen in the supply chain and logistics. Many mathematical and heuristic algorithms have been developed for optimizing…

Machine Learning · Computer Science 2022-10-28 Shiqing Liu , Xueming Yan , Yaochu Jin

Optimal Power Flow (OPF) is a core optimization problem in power system operation and planning, aiming to minimize generation costs while satisfying physical constraints such as power flow equations, generator limits, and voltage limits.…

Machine Learning · Computer Science 2025-12-02 Xuezhi Liu

The potential of Machine Learning Control (MLC) in HVAC systems is hindered by its opaque nature and inference mechanisms, which is challenging for users and modelers to fully comprehend, ultimately leading to a lack of trust in MLC-based…

Artificial Intelligence · Computer Science 2024-11-18 Liang Zhang , Zhelun Chen

This paper introduces a comprehensive, multi-stage machine learning methodology that effectively integrates information systems and artificial intelligence to enhance decision-making processes within the domain of operations research. The…

Machine Learning · Computer Science 2023-04-14 Nijat Mehdiyev , Maxim Majlatow , Peter Fettke

This work addresses inverse linear optimization where the goal is to infer the unknown cost vector of a linear program. Specifically, we consider the data-driven setting in which the available data are noisy observations of optimal…

Optimization and Control · Mathematics 2021-12-07 Rishabh Gupta , Qi Zhang

Speculative sampling reduces the latency of autoregressive decoding for target model LLMs without sacrificing inference quality, by using a cheap draft model to suggest a candidate token and a verification criterion to accept or resample…

Machine Learning · Computer Science 2025-11-21 Rahul Krishna Thomas , Arka Pal

A good parallelization strategy can significantly improve the efficiency or reduce the cost for the distributed training of deep neural networks (DNNs). Recently, several methods have been proposed to find efficient parallelization…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-01-12 Zhenkun Cai , Kaihao Ma , Xiao Yan , Yidi Wu , Yuzhen Huang , James Cheng , Teng Su , Fan Yu