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Protein language models (PLMs) have shown promise in improving the understanding of protein sequences, contributing to advances in areas such as function prediction and protein engineering. However, training these models from scratch…

Machine Learning · Computer Science 2024-12-19 Shivasankaran Vanaja Pandi , Bharath Ramsundar

To execute scientific computing programs such as deep learning at high speed, GPU acceleration is a powerful option. With the recent advancements in web technologies, interfaces like WebGL and WebGPU, which utilize GPUs on the client side…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-03-04 Masatoshi Hidaka , Tatsuya Harada

I present a Python package developed for fitting Voigt profiles to absorption lines. The software fits multiple components for various atomic lines simultaneously allowing parameters to be tied and fixed. Moreover, the code is able to…

Instrumentation and Methods for Astrophysics · Physics 2018-03-06 Jens-Kristian Krogager

Recommender systems play a pivotal role in providing relevant content to users. With the rapid development of large language models (LLMs), researchers have begun utilizing LLMs to build more powerful recommender systems. However, existing…

Information Retrieval · Computer Science 2025-06-26 Haochen Zhang , Tianyi Zhang , Junze Yin , Oren Gal , Anshumali Shrivastava , Vladimir Braverman

Nonlinear programming is explicitly analyzed via a novel perspective/method and from a bottom-up manner. The philosophy is based on the recent findings on convex quadratic equation (CQE), which help clarify a geometric interpretation that…

Optimization and Control · Mathematics 2022-10-20 Li-Gang Lin , Yew-Wen Liang

Convex clustering is a popular clustering model without requiring the number of clusters as prior knowledge. It can generate a clustering path by continuously solving the model with a sequence of regularization parameter values. This paper…

Optimization and Control · Mathematics 2025-01-28 Hongfei Wu , Yancheng Yuan

This material provides thorough tutorials on some optimization techniques frequently used in various engineering disciplines, including convex optimization, linearization techniques and mixed-integer linear programming, robust optimization,…

Optimization and Control · Mathematics 2020-07-28 Wei Wei

Polyhedral convex set optimization problems are the simplest optimization problems with set-valued objective function. Their role in set optimization is comparable to the role of linear programs in scalar optimization. Vector linear…

Optimization and Control · Mathematics 2024-01-26 Andreas Löhne

GEANT4 is a particle physics simulation tool used to develop and optimize radiation detectors. While C++ based examples exist, Python's growing popularity necessitates the development of a more accessible Python bindings interface. This…

High Energy Physics - Experiment · Physics 2024-12-10 Patrick Stowell , Robert Foster , Almahdi Elhamri

Physics-Informed Machine Learning (PIML) offers a powerful paradigm of integrating data with physical laws to address important scientific problems, such as parameter estimation, inferring hidden physics, equation discovery, and state…

Computational Engineering, Finance, and Science · Computer Science 2025-10-31 Letian Yi , Siyuan Yang , Ying Cui , Zhilu Lai

Interpretability in Vision-Language Models (VLMs) is crucial for trust, debugging, and decision-making in high-stakes applications. We introduce PixelSHAP, a model-agnostic framework extending Shapley-based analysis to structured visual…

Computer Vision and Pattern Recognition · Computer Science 2025-03-11 Roni Goldshmidt

PySCF is a general-purpose electronic structure platform designed from the ground up to emphasize code simplicity, both to aid new method development, as well as for flexibility in computational workflow. The package provides a wide range…

Conventional inverse optimization inputs a solution and finds the parameters of an optimization model that render a given solution optimal. The literature mostly focuses on inferring the objective function in linear problems when accepted…

Optimization and Control · Mathematics 2024-10-10 Houra Mahmoudzadeh , Kimia Ghobadi

QuaPy is an open-source framework for performing quantification (a.k.a. supervised prevalence estimation), written in Python. Quantification is the task of training quantifiers via supervised learning, where a quantifier is a predictor that…

Machine Learning · Computer Science 2021-06-22 Alejandro Moreo , Andrea Esuli , Fabrizio Sebastiani

Evolutionary computation is an important component within various fields such as artificial intelligence research, reinforcement learning, robotics, industrial automation and/or optimization, engineering design, etc. Considering the…

Neural and Evolutionary Computing · Computer Science 2023-05-23 Nihat Engin Toklu , Timothy Atkinson , Vojtěch Micka , Paweł Liskowski , Rupesh Kumar Srivastava

Learning continually from a stream of non-i.i.d. data is an open challenge in deep learning, even more so when working in resource-constrained environments such as embedded devices. Visual models that are continually updated through…

Artificial Intelligence · Computer Science 2025-07-30 Clea Rebillard , Julio Hurtado , Andrii Krutsylo , Lucia Passaro , Vincenzo Lomonaco

Sequential convex programming has been established as an effective framework for solving nonconvex trajectory planning problems. However, its performance is highly sensitive to problem parameters, including trajectory variables, algorithmic…

Optimization and Control · Mathematics 2025-12-09 Ziqi Xu , Lin Cheng , Di Wu , Shengping Gong

The goal of this work is to accelerate the identification of an unknown ARX system from trajectory data through online input design. Specifically, we present an active learning algorithm that sequentially selects the input to excite the…

Systems and Control · Electrical Eng. & Systems 2025-09-04 Nicolas Chatzikiriakos , Bowen Song , Philipp Rank , Andrea Iannelli

The covariance matrix adaptation evolution strategy (CMA-ES) has been highly effective in black-box continuous optimization, as demonstrated by its success in both benchmark problems and various real-world applications. To address the need…

Neural and Evolutionary Computing · Computer Science 2026-02-10 Masahiro Nomura , Masashi Shibata , Ryoki Hamano

Large language models (LLMs), such as Codex, hold great promise in enhancing programming education by automatically generating feedback for students. We investigate using LLMs to generate feedback for fixing syntax errors in Python…

Programming Languages · Computer Science 2023-05-01 Tung Phung , José Cambronero , Sumit Gulwani , Tobias Kohn , Rupak Majumdar , Adish Singla , Gustavo Soares