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We present mechanoChemML, a machine learning software library for computational materials physics. mechanoChemML is designed to function as an interface between platforms that are widely used for machine learning on one hand, and others for…

Computational Engineering, Finance, and Science · Computer Science 2022-05-03 X. Zhang , G. H. Teichert , Z. Wang , M. Duschenes , S. Srivastava , E. Livingston , J. Holber , M. Faghih Shojaei , A. Sundararajan , K. Garikipati

Undergraduate programs in science and engineering include at least one course in basic programming, but seldom presented in a contextualized format, where computing is a tool for thinking and learning in the discipline. We have created a…

Computers and Society · Computer Science 2020-06-26 Lorena A. Barba

YAMLE: Yet Another Machine Learning Environment is an open-source framework that facilitates rapid prototyping and experimentation with machine learning (ML) models and methods. The key motivation is to reduce repetitive work when…

Machine Learning · Computer Science 2024-02-12 Martin Ferianc , Miguel Rodrigues

Real-world applications involve various discrete optimization problems. Designing a specialized optimizer for each of these problems is challenging, typically requiring significant domain knowledge and human efforts. Hence, developing…

Neural and Evolutionary Computing · Computer Science 2024-05-30 Shengcai Liu , Zhiyuan Wang , Yew-Soon Ong , Xin Yao , Ke Tang

Machine learning classification problems are widespread in bioinformatics, but the technical knowledge required to perform model training, optimization, and inference can prevent researchers from utilizing this technology. This article…

Machine Learning · Computer Science 2023-10-06 Aaron D. Mullen , Samuel E. Armstrong , Jeff Talbert , V. K. Cody Bumgardner

Collaboration is used in Software Engineering (SE) to develop software. Industry seeks SE graduates with collaboration skills to contribute to productive software development. SE educators can use Collaborative Learning (CL) to help…

Software Engineering · Computer Science 2023-10-31 Rita Garcia , Christoph Treude , Andrew Valentine

In recent years, multi-label classification problem has become a controversial issue. In this kind of classification, each sample is associated with a set of class labels. Ensemble approaches are supervised learning algorithms in which an…

Machine Learning · Computer Science 2018-01-09 Amirreza Mahdavi-Shahri , Mahboobeh Houshmand , Mahdi Yaghoobi , Mehrdad Jalali

Combinatorial evolution - the creation of new things through the combination of existing things - can be a powerful way to evolve rather than design technical objects such as electronic circuits. Intriguingly, this seems to be an ongoing…

Software Engineering · Computer Science 2021-11-23 Sebastian Fix , Thomas Probst , Oliver Ruggli , Thomas Hanne , Patrik Christen

Machine learning models deployed in open-world scenarios often encounter unfamiliar conditions and perform poorly in unanticipated situations. As AI systems advance and find application in safety-critical domains, effectively handling…

Machine Learning · Computer Science 2025-04-22 Tian Xie , Jifan Zhang , Haoyue Bai , Robert Nowak

In this work, we present OL\'E, a new online learning emulator for use in cosmological inference. The emulator relies on Gaussian Processes and Principal Component Analysis for efficient data compression and fast evaluation. Moreover, OL\'E…

Cosmology and Nongalactic Astrophysics · Physics 2025-10-13 Sven Günther , Lennart Balkenhol , Christian Fidler , Ali Rida Khalife , Julien Lesgourgues , Markus R. Mosbech , Ravi Kumar Sharma

The combination of Internet of Things (IoT) and Edge Computing (EC) can assist in the delivery of novel applications that will facilitate end users activities. Data collected by numerous devices present in the IoT infrastructure can be…

Databases · Computer Science 2020-08-13 Kostas Kolomvatsos , Christos Anagnostopoulos

Machine learning model development and optimisation can be a rather cumbersome and resource-intensive process. Custom models are often more difficult to build and deploy, and they require infrastructure and expertise which are often costly…

This paper investigates distributed cooperative learning algorithms for data processing in a network setting. Specifically, the extreme learning machine (ELM) is introduced to train a set of data distributed across several components, and…

Machine Learning · Computer Science 2015-12-01 Wu Ai , Weisheng Chen

This paper introduces a simple efficient learning algorithms for general sequential decision making. The algorithm combines Optimism for exploration with Maximum Likelihood Estimation for model estimation, which is thus named OMLE. We prove…

Machine Learning · Computer Science 2022-11-24 Qinghua Liu , Praneeth Netrapalli , Csaba Szepesvári , Chi Jin

Selecting an appropriate optimizer for a given problem is of major interest for researchers and practitioners. Many analytical optimizers have been proposed using a variety of theoretical and empirical approaches; however, none can offer a…

Machine Learning · Computer Science 2022-03-16 Tianshu Huang , Tianlong Chen , Sijia Liu , Shiyu Chang , Lisa Amini , Zhangyang Wang

Multiobjective optimization problems (MOPs) are prevalent in machine learning, with applications in multi-task learning, learning under fairness or robustness constraints, etc. Instead of reducing multiple objective functions into a scalar…

Mathematical Software · Computer Science 2024-10-14 Xiaoyuan Zhang , Liang Zhao , Yingying Yu , Xi Lin , Yifan Chen , Han Zhao , Qingfu Zhang

Neural Combinatorial Optimization (NCO) is an emerging domain where deep learning techniques are employed to address combinatorial optimization problems as a standalone solver. Despite their potential, existing NCO methods often suffer from…

Neural and Evolutionary Computing · Computer Science 2024-08-06 Andoni I. Garmendia , Quentin Cappart , Josu Ceberio , Alexander Mendiburu

This work is devoted to solving the composite optimization problem with the mixture oracle: for the smooth part of the problem, we have access to the gradient, and for the non-smooth part, only the one-point zero-order oracle is available.…

Optimization and Control · Mathematics 2025-07-23 Aleksandr Beznosikov , Ivan Stepanov , Artyom Voronov , Alexander Gasnikov

This paper introduces Evalverse, a novel library that streamlines the evaluation of Large Language Models (LLMs) by unifying disparate evaluation tools into a single, user-friendly framework. Evalverse enables individuals with limited…

Computation and Language · Computer Science 2024-10-08 Jihoo Kim , Wonho Song , Dahyun Kim , Yunsu Kim , Yungi Kim , Chanjun Park

Traditional machine learning systems are deployed under the closed-world setting, which requires the entire training data before the offline training process. However, real-world applications often face the incoming new classes, and a model…

Machine Learning · Computer Science 2022-10-27 Da-Wei Zhou , Fu-Yun Wang , Han-Jia Ye , De-Chuan Zhan
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