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Large language models (LLMs) and transformer-based architectures are increasingly utilized for source code analysis. As software systems grow in complexity, integrating LLMs into code analysis workflows becomes essential for enhancing…

Software Engineering · Computer Science 2025-03-25 Hamed Jelodar , Mohammad Meymani , Roozbeh Razavi-Far

The utilization of Machine Learning (ML) in contemporary software systems is extensive and continually expanding. However, its usage is energy-intensive, contributing to increased carbon emissions and demanding significant resources. While…

Software Engineering · Computer Science 2025-08-26 Rajrupa Chattaraj , Sridhar Chimalakonda , Vibhu Saujanya Sharma , Vikrant Kaulgud

Machine learning plays an increasingly important role in computational chemistry and materials science, complementing computationally intensive ab initio and first-principles methods. Despite their utility, machine-learning models often…

Chemical Physics · Physics 2025-05-06 Makoto Takamoto , Viktor Zaverkin , Mathias Niepert

We investigate the usage of Large Language Model (LLM) in collecting high-quality data to warm-start Reinforcement Learning (RL) algorithms for learning in some classical Markov Decision Process (MDP) environments. In this work, we focus on…

Machine Learning · Computer Science 2025-05-19 Thang Duong , Minglai Yang , Chicheng Zhang

Synthesis of advanced inorganic materials with minimum number of trials is of paramount importance towards the acceleration of inorganic materials development. The enormous complexity involved in existing multi-variable synthesis methods…

Materials Science · Physics 2020-11-02 Bijun Tang , Yuhao Lu , Jiadong Zhou , Han Wang , Prafful Golani , Manzhang Xu , Quan Xu , Cuntai Guan , Zheng Liu

HIPSTER (Heavily Ionising Particle Standard Toolkit for Event Recognition) is an open source Python package designed to facilitate the use of TensorFlow in a high energy physics analysis context. The core functionality of the software is…

High Energy Physics - Experiment · Physics 2019-09-18 Adrian Bevan , Thomas Charman , Jonathan Hays

Large language models (LLMs) have been explored in a variety of reasoning tasks including solving of mathematical problems. Each math dataset typically includes its own specially designed evaluation script, which, while suitable for its…

Computation and Language · Computer Science 2024-04-23 Boning Zhang , Chengxi Li , Kai Fan

Machine learning has emerged as a promising paradigm to study the quantum dissipative dynamics of open quantum systems. To facilitate the use of our recently published ML-based approaches for quantum dissipative dynamics, here we present an…

Chemical Physics · Physics 2024-03-19 Arif Ullah , Pavlo O. Dral

Memory forensics is an effective methodology for analyzing living-off-the-land malware, including threats that employ evasion, obfuscation, anti-analysis, and steganographic techniques. By capturing volatile system state, memory analysis…

Cryptography and Security · Computer Science 2026-02-24 Silvia Lucia Sanna , Davide Maiorca , Giorgio Giacinto

We provide a prescription to train optimal machine-learning-based event selectors and categorizers that maximize the statistical significance of a potential signal excess in high energy physics (HEP) experiments, as quantified by any of six…

Data Analysis, Statistics and Probability · Physics 2019-11-28 Konstantin K. Matchev , Prasanth Shyamsundar

Machine learning (ML) provides algorithms to create computer programs based on data without explicitly programming them. In business process management (BPM), ML applications are used to analyse and improve processes efficiently. Three…

Machine Learning · Computer Science 2024-05-28 Sven Weinzierl , Sandra Zilker , Sebastian Dunzer , Martin Matzner

We introduce the Python program THALAS (TensorFlow Hydrodynamics Analysis for Lyman-Alpha Simulations), which maps baryon fields (baryon density, temperature, and velocity) to Ly$\alpha$ optical depth fields in both real space and redshift…

Cosmology and Nongalactic Astrophysics · Physics 2024-07-24 Jupiter Ding , Benjamin Horowitz , Zarija Lukić

Machine learning can provide deep insights into data, allowing machines to make high-quality predictions and having been widely used in real-world applications, such as text mining, visual classification, and recommender systems. However,…

Machine Learning · Computer Science 2020-08-11 Meng Wang , Weijie Fu , Xiangnan He , Shijie Hao , Xindong Wu

The enormous structural and chemical diversity of metal-organic frameworks (MOFs) forces researchers to actively use simulation techniques on an equal footing with experiments. MOFs are widely known for outstanding adsorption properties, so…

Materials Science · Physics 2021-11-22 Vadim V. Korolev , Yurii M. Nevolin , Thomas A. Manz , Pavel V. Protsenko

ML4Chem is an open-source machine learning library for chemistry and materials science. It provides an extendable platform to develop and deploy machine learning models and pipelines and is targeted to the non-expert and expert users.…

Chemical Physics · Physics 2020-03-31 Muammar El Khatib , Wibe A de Jong

We describe OHBA Software Library for the analysis of electrophysiological data (osl-ephys). This toolbox builds on top of the widely used MNE-Python package and provides unique analysis tools for magneto-/electro-encephalography (M/EEG)…

Quantitative Methods · Quantitative Biology 2024-10-30 Mats W. J. van Es , Chetan Gohil , Andrew J. Quinn , Mark W. Woolrich

We present $\textbf{PyRMLE}$, a Python module that implements Regularized Maximum Likelihood Estimation for the analysis of Random Coefficient models. $\textbf{PyRMLE}$ is simple to use and readily works with data formats that are typical…

Computation · Statistics 2021-08-17 Emil Mendoza , Fabian Dunker , Marco Reale

We introduce DeeLeMa, a deep learning-based network for the analysis of energy and momentum in high-energy particle collisions. This novel approach is specifically designed to address the challenge of analyzing collision events with…

High Energy Physics - Phenomenology · Physics 2023-11-30 Kayoung Ban , Dong Woo Kang , Tae-Geun Kim , Seong Chan Park , Yeji Park

Machine Learning (ML) is the branch of computer science that studies computer algorithms that can learn from data. It is mainly divided into supervised learning, where the computer is presented with examples of entries, and the goal is to…

Earth and Planetary Astrophysics · Physics 2022-08-17 V. Carruba , S. Aljbaae , R. C. Domingos , M. Huaman , W. Barletta

We propose a novel approach to enable Automated Machine Learning (AutoML) for Non-Intrusive Appliance Load Monitoring (NIALM), also known as Energy Disaggregation, through Bayesian Optimization. NIALM offers a cost-effective alternative to…

Software Engineering · Computer Science 2025-05-13 Armin Moin , Ukrit Wattanavaekin , Alexandra Lungu , Stephan Rössler , Stephan Günnemann