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Multimodal molecular representation learning, which jointly models molecular graphs and their textual descriptions, enhances predictive accuracy and interpretability by enabling more robust and reliable predictions of drug toxicity,…

Machine Learning · Computer Science 2025-10-21 Yingxu Wang , Kunyu Zhang , Jiaxin Huang , Nan Yin , Siwei Liu , Eran Segal

Machine Learning Operations (MLOps) is becoming a highly crucial part of businesses looking to capitalize on the benefits of AI and ML models. This research presents a detailed review of MLOps, its benefits, difficulties, evolutions, and…

Software Engineering · Computer Science 2023-06-01 A. I. Ullah Tabassam

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

In recent years, Artificial Intelligence (AI) and Machine learning (ML) have gained significant interest from both, industry and academia. Notably, conventional ML techniques require enormous amounts of power to meet the desired accuracy,…

Machine Learning · Computer Science 2023-09-08 Rakhee Kallimani , Krishna Pai , Prasoon Raghuwanshi , Sridhar Iyer , Onel L. A. López

[Context] Applying design principles has long been acknowledged as beneficial for understanding and maintainability in traditional software projects. These benefits may similarly hold for Machine Learning (ML) projects, which involve…

Software Engineering · Computer Science 2024-02-09 Raphael Cabral , Marcos Kalinowski , Maria Teresa Baldassarre , Hugo Villamizar , Tatiana Escovedo , Hélio Lopes

Large Language Model (LLM) agents significantly extend the capabilities of standalone LLMs, empowering them to interact with external tools (e.g., APIs, functions) and complete various tasks in a self-directed fashion. The challenge of tool…

Artificial Intelligence · Computer Science 2024-02-19 Weizhou Shen , Chenliang Li , Hongzhan Chen , Ming Yan , Xiaojun Quan , Hehong Chen , Ji Zhang , Fei Huang

Explanations have gained an increasing level of interest in the AI and Machine Learning (ML) communities in order to improve model transparency and allow users to form a mental model of a trained ML model. However, explanations can go…

Machine Learning · Computer Science 2022-10-11 Stefano Teso , Öznur Alkan , Wolfang Stammer , Elizabeth Daly

PiML (read $\pi$-ML, /`pai`em`el/) is an integrated and open-access Python toolbox for interpretable machine learning model development and model diagnostics. It is designed with machine learning workflows in both low-code and high-code…

Machine Learning · Computer Science 2023-12-21 Agus Sudjianto , Aijun Zhang , Zebin Yang , Yu Su , Ningzhou Zeng

With the advent of large language models, research in automated software engineering has increasingly focused on leveraging these models to achieve a deeper semantic understanding of code or to engineer sophisticated agent-based processes.…

Software Engineering · Computer Science 2026-05-29 Yuhong Liu , Yunhe Su , Zhipeng Peng , Zhiwen Luo , Lin Shi , Zhi Jin , Li Zhang

Background. The rapid and growing popularity of machine learning (ML) applications has led to an increasing interest in MLOps, that is, the practice of continuous integration and deployment (CI/CD) of ML-enabled systems. Aims. Since changes…

Software Engineering · Computer Science 2022-09-26 Fabio Calefato , Filippo Lanubile , Luigi Quaranta

Augmenting large language models (LLMs) with external tools has emerged as a promising approach to extend their utility, enabling them to solve practical tasks. Previous methods manually parse tool documentation and create in-context…

Computation and Language · Computer Science 2025-03-05 Zhengliang Shi , Shen Gao , Lingyong Yan , Yue Feng , Xiuyi Chen , Zhumin Chen , Dawei Yin , Suzan Verberne , Zhaochun Ren

Advances in the use of cognitive and machine learning (ML) enabled systems fuel the quest for novel approaches and tools to support software developers in executing their tasks. First, as software development is a complex and dynamic…

Software Engineering · Computer Science 2021-02-11 Glaucia Melo , Paulo Alencar , Donald Cowan

Machine learning (ML)-based solutions are rapidly changing the landscape of many fields, including structural engineering. Despite their promising performance, these approaches are usually only demonstrated as proof-of-concept in structural…

Machine Learning · Computer Science 2025-08-20 Mohsen Zaker Esteghamati , Brennan Bean , Henry V. Burton , M. Z. Naser

Despite strong results on many tasks, multimodal large language models (MLLMs) still underperform on visual mathematical problem solving, especially in reliably perceiving and interpreting diagrams. Inspired by human problem-solving, we…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Shuhang Chen , Hangjie Yuan , Yunqiu Xu , Pengwei Liu , Tao Feng , Jun Cen , Zeying Huang , Yi Yang

The integration of machine learning (ML) into spatial design holds immense potential for optimizing space utilization, enhancing functionality, and streamlining design processes. ML can automate tasks, predict performance outcomes, and…

Human-Computer Interaction · Computer Science 2025-07-03 Yuxuan Yang

In this study, we propose to adopt a novel framework, Knowledge-integrated Machine Learning, for advancing Proton Exchange Membrane Water Electrolysis (PEMWE) development. Given the significance of PEMWE in green hydrogen production and the…

Machine Learning · Computer Science 2024-04-08 Xia Chen , Alexander Rex , Janis Woelke , Christoph Eckert , Boris Bensmann , Richard Hanke-Rauschenbach , Philipp Geyer

In this survey, we discuss the challenges of executing scientific workflows as well as existing Machine Learning (ML) techniques to alleviate those challenges. We provide the context and motivation for applying ML to each step of the…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-10-28 Azita Nouri , Philip E. Davis , Pradeep Subedi , Manish Parashar

Moldable development supports decision-making by making software systems explainable. This is done by making it cheap to add numerous custom tools to your software, turning it into a live, explorable domain model. Based on several years of…

Software Engineering · Computer Science 2024-09-30 Oscar Nierstrasz , Tudor Gîrba

Modern computational advertising platforms typically rely on recommendation systems to predict user responses, such as click-through rates, conversion rates, and other optimization events. To support a wide variety of product surfaces and…

Language models (LMs) can perform complex reasoning either end-to-end, with hidden latent state, or compositionally, with transparent intermediate state. Composition offers benefits for interpretability and safety, but may need workflow…

Computation and Language · Computer Science 2023-01-06 Justin Reppert , Ben Rachbach , Charlie George , Luke Stebbing , Jungwon Byun , Maggie Appleton , Andreas Stuhlmüller