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Reproducibility of modeling is a problem that exists for any machine learning practitioner, whether in industry or academia. The consequences of an irreproducible model can include significant financial costs, lost time, and even loss of…

Machine Learning · Computer Science 2018-10-11 Peter Sugimura , Florian Hartl

Machine learning (ML) is an increasingly important scientific tool supporting decision making and knowledge generation in numerous fields. With this, it also becomes more and more important that the results of ML experiments are…

Machine Learning · Computer Science 2020-06-23 Sheeba Samuel , Frank Löffler , Birgitta König-Ries

The integration of machine learning techniques in materials discovery has become prominent in materials science research and has been accompanied by an increasing trend towards open-source data and tools to propel the field. Despite the…

Materials Science · Physics 2026-05-27 Daniel Persaud , Logan Ward , Jason Hattrick-Simpers

Linear Programs (LP) are celebrated widely, particularly so in machine learning where they have allowed for effectively solving probabilistic inference tasks or imposing structure on end-to-end learning systems. Their potential might seem…

Artificial Intelligence · Computer Science 2022-03-30 Matej Zečević , Florian Peter Busch , Devendra Singh Dhami , Kristian Kersting

Machine Learning Operations (MLOps) has become increasingly critical as more organisations move ML models into production. However, the growing landscape of MLOps solutions has introduced complexity for practitioners trying to select…

Software Engineering · Computer Science 2026-04-21 Zakkarija Micallef , Keerthiga Rajenthiram , Ilias Gerostathopoulos

Large language models (LLMs) have substantially advanced machine learning research, including natural language processing, computer vision, data mining, etc., yet they still exhibit critical limitations in explainability, reliability,…

Machine Learning · Computer Science 2025-09-19 Xin Wang , Haoyang Li , Haibo Chen , Zeyang Zhang , Wenwu Zhu

Natural language processing for programming aims to use NLP techniques to assist programming. It is increasingly prevalent for its effectiveness in improving productivity. Distinct from natural language, a programming language is highly…

Computation and Language · Computer Science 2023-08-08 Qingfu Zhu , Xianzhen Luo , Fang Liu , Cuiyun Gao , Wanxiang Che

The recently increased complexity of Machine Learning (ML) methods, led to the necessity to lighten both the research and industry development processes. ML pipelines have become an essential tool for experts of many domains, data…

Software Engineering · Computer Science 2022-07-18 Giordano d'Aloisio , Antinisca Di Marco , Giovanni Stilo

In many application domains, domain-specific languages can allow domain experts to contribute to collaborative projects more correctly and efficiently. To do so, they must be able to understand program structure from reading existing source…

Programming Languages · Computer Science 2025-11-18 Philip Heltweg , Georg-Daniel Schwarz , Dirk Riehle

Recently, Machine Learning (ML) has become a widely accepted method for significant progress that is rapidly evolving. Since it employs computational methods to teach machines and produce acceptable answers. The significance of the Machine…

Machine Learning · Computer Science 2023-08-23 Samar Wazir , Gautam Siddharth Kashyap , Parag Saxena

Machine Learning (ML) is increasingly used to automate impactful decisions, which leads to concerns regarding their correctness, reliability, and fairness. We envision highly-automated software platforms to assist data scientists with…

Databases · Computer Science 2024-09-04 Stefan Grafberger

The introduction of modern Machine Learning Potentials (MLP) has led to a paradigm change in the development of potential energy surfaces for atomistic simulations. By providing efficient access to energies and forces, they allow to perform…

Chemical Physics · Physics 2023-10-13 Alea Miako Tokita , Jörg Behler

Machine learning and AI have been recently embraced by many companies. Machine Learning Operations, (MLOps), refers to the use of continuous software engineering processes, such as DevOps, in the deployment of machine learning models to…

Software Engineering · Computer Science 2024-10-01 Abhijit Chakraborty , Suddhasvatta Das , Kevin Gary

Despite the significant strides made by generative AI in just a few short years, its future progress is constrained by the challenge of building modular and robust systems. This capability has been a cornerstone of past technological…

Computing educators and researchers have used programming process data to understand how programs are constructed and what sorts of problems students struggle with. Although such data shows promise for using it for feedback, fully automated…

Computers and Society · Computer Science 2024-11-04 John Edwards , Arto Hellas , Juho Leinonen

Recent years have witnessed the fast development of machine learning potentials (MLPs) and their widespread applications in chemistry, physics, and material science. By fitting discrete ab initio data faithfully to continuous and…

Chemical Physics · Physics 2025-05-13 Junfan Xia , Yaolong Zhang , Bin Jiang

Using Large Language Models (LLMs) for Process Mining (PM) tasks is becoming increasingly essential, and initial approaches yield promising results. However, little attention has been given to developing strategies for evaluating and…

Databases · Computer Science 2024-07-01 Alessandro Berti , Humam Kourani , Hannes Hafke , Chiao-Yun Li , Daniel Schuster

Recent developments in machine learning interatomic potentials (MLIPs) have empowered even non-experts in machine learning to train MLIPs for accelerating materials simulations. However, the current literature lacks clear standards for…

Chemical Physics · Physics 2024-01-05 Tristan Maxson , Ademola Soyemi , Benjamin W. J. Chen , Tibor Szilvási

Building effective machine learning (ML) workflows to address complex tasks is a primary focus of the Automatic ML (AutoML) community and a critical step toward achieving artificial general intelligence (AGI). Recently, the integration of…

Machine Learning · Computer Science 2024-12-30 Yang Gu , Hengyu You , Jian Cao , Muran Yu , Haoran Fan , Shiyou Qian

Natural Language Processing (NLP) is now a cornerstone of requirements automation. One compelling factor behind the growing adoption of NLP in Requirements Engineering (RE) is the prevalent use of natural language (NL) for specifying…

Software Engineering · Computer Science 2024-07-17 Mehrdad Sabetzadeh , Chetan Arora
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