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In this review, we highlight recent developments in the application of machine learning for molecular modeling and simulation. After giving a brief overview of the foundations, components, and workflow of a typical supervised learning…

Data Analysis, Statistics and Probability · Physics 2019-02-21 Mojtaba Haghighatlari , Johannes Hachmann

Large language models (LLMs) are becoming increasingly better at a wide range of Natural Language Processing tasks (NLP), such as text generation and understanding. Recently, these models have extended their capabilities to coding tasks,…

Machine Learning · Computer Science 2024-10-23 Nishat Raihan , Mohammed Latif Siddiq , Joanna C. S. Santos , Marcos Zampieri

Scientists often use observational time series data to study complex natural processes, but regression analyses often assume simplistic dynamics. Recent advances in deep learning have yielded startling improvements to the performance of…

Machine Learning · Computer Science 2023-04-21 Cory Shain , William Schuler

A key part of learning to program is learning to understand programming error messages. They can be hard to interpret and identifying the cause of errors can be time-consuming. One factor in this challenge is that the messages are typically…

Human-Computer Interaction · Computer Science 2024-04-03 Juho Leinonen , Arto Hellas , Sami Sarsa , Brent Reeves , Paul Denny , James Prather , Brett A. Becker

We introduce DeepProbLog, a neural probabilistic logic programming language that incorporates deep learning by means of neural predicates. We show how existing inference and learning techniques of the underlying probabilistic logic…

Artificial Intelligence · Computer Science 2019-09-26 Robin Manhaeve , Sebastijan Dumančić , Angelika Kimmig , Thomas Demeester , Luc De Raedt

Researchers have recently achieved significant advances in deep learning techniques, which in turn has substantially advanced other research disciplines, such as natural language processing, image processing, speech recognition, and…

Continuous-time series is essential for different modern application areas, e.g. healthcare, automobile, energy, finance, Internet of things (IoT) and other related areas. Different application needs to process as well as analyse a massive…

Machine Learning · Computer Science 2024-09-17 Mansura Habiba , Barak A. Pearlmutter , Mehrdad Maleki

Building models of the world from observation, i.e., induction, is one of the major challenges in machine learning. In order to be useful, models need to maintain accuracy when used in novel situations, i.e., generalize. In addition, they…

Machine Learning · Computer Science 2026-02-10 Gabriel Stella , Dmitri Loguinov

Advances in deep learning systems have allowed large models to match or surpass human accuracy on a number of skills such as image classification, basic programming, and standardized test taking. As the performance of the most capable…

Machine Learning · Computer Science 2024-06-10 Sarah Pratt , Seth Blumberg , Pietro Kreitlon Carolino , Meredith Ringel Morris

Deep learning and deep architectures are emerging as the best machine learning methods so far in many practical applications such as reducing the dimensionality of data, image classification, speech recognition or object segmentation. In…

Machine Learning · Computer Science 2018-07-10 The-Hien Dang-Ha

The emergence of Large Language Models (LLMs) with increasingly sophisticated natural language understanding and generative capabilities has sparked interest in the Agent-based Modelling (ABM) community. With their ability to summarize,…

Language models (LMs) have demonstrated remarkable capabilities in NLP, yet adapting them efficiently and robustly to specific tasks remains challenging. As their scale and complexity grow, fine-tuning LMs on labelled data often…

Computation and Language · Computer Science 2025-06-27 Zhengyan Shi

The advent of large language models (LLMs) has significantly advanced artificial intelligence (AI) in software engineering (SE), with source code embeddings playing a crucial role in tasks such as source code clone detection and source code…

Software Engineering · Computer Science 2025-06-04 Zixiang Xian , Chenhui Cui , Rubing Huang , Chunrong Fang , Zhenyu Chen

With the growing interest in quantum computing, the emergence of quantum supremacy has marked a pivotal milestone in the field. As a result, numerous quantum programming languages (QPLs) have been introduced to support the development of…

Software Engineering · Computer Science 2025-10-21 Xiaoyu Guo , Shinobu Saito , Jianjun Zhao

AI agentic programming is an emerging paradigm where large language model (LLM)-based coding agents autonomously plan, execute, and interact with tools such as compilers, debuggers, and version control systems. Unlike conventional code…

Software Engineering · Computer Science 2025-09-16 Huanting Wang , Jingzhi Gong , Huawei Zhang , Jie Xu , Zheng Wang

Although software analytics has experienced rapid growth as a research area, it has not yet reached its full potential for wide industrial adoption. Most of the existing work in software analytics still relies heavily on costly manual…

Software Engineering · Computer Science 2016-08-02 Hoa Khanh Dam , Truyen Tran , John Grundy , Aditya Ghose

Significant efforts has been made to expand the use of Large Language Models (LLMs) beyond basic language tasks. While the generalizability and versatility of LLMs have enabled widespread adoption, evolving demands in application…

Software Engineering · Computer Science 2024-11-20 Dawen Zhang , Xiwei Xu , Chen Wang , Zhenchang Xing , Robert Mao

A Language Model is a term that encompasses various types of models designed to understand and generate human communication. Large Language Models (LLMs) have gained significant attention due to their ability to process text with human-like…

Computation and Language · Computer Science 2024-06-12 Sylvio Barbon Junior , Paolo Ceravolo , Sven Groppe , Mustafa Jarrar , Samira Maghool , Florence Sèdes , Soror Sahri , Maurice Van Keulen

Recently, remarkable progress has been made over large language models (LLMs), demonstrating their unprecedented capability in varieties of natural language tasks. However, completely training a large general-purpose model from the scratch…

Machine Learning · Computer Science 2024-02-06 Yushan Jiang , Zijie Pan , Xikun Zhang , Sahil Garg , Anderson Schneider , Yuriy Nevmyvaka , Dongjin Song

Deep Learning (DL) applications are being used to solve problems in critical domains (e.g., autonomous driving or medical diagnosis systems). Thus, developers need to debug their systems to ensure that the expected behavior is delivered.…

Software Engineering · Computer Science 2023-07-19 Mohammad Wardat , Breno Dantas Cruz , Wei Le , Hridesh Rajan