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While large language models (LLMs) have transformed AI agents into proficient executors of computational materials science, performing a hundred simulations does not make a researcher. What distinguishes research from routine execution is…

Computational Physics · Physics 2026-03-16 Haonan Huang

Automating the design of heuristic search methods is an active research field within computer science, artificial intelligence and operational research. In order to make these methods more generally applicable, it is important to eliminate…

Artificial Intelligence · Computer Science 2011-07-28 Edmund Burke , Tim Curtois , Matthew Hyde , Gabriela Ochoa , Jose A. Vazquez-Rodriguez

The availability of large data sets is providing an impetus for driving current artificial intelligent developments. There are, however, challenges for developing solutions with small data sets due to practical and cost-effective deployment…

Machine Learning · Computer Science 2024-05-17 Luca Gherardini , Varun Ravi Varma , Karol Capala , Roger Woods , Jose Sousa

Repository-level code comprehension and knowledge sharing remain core challenges in software engineering. Large language models (LLMs) have shown promise by generating explanations of program structure and logic. However, these approaches…

Software Engineering · Computer Science 2025-08-06 Alex Wolf , Marco Edoardo Palma , Pooja Rani , Harald C. Gall

With the advancement of Industry 4.0, intelligent manufacturing extensively employs sensors for real-time multidimensional data collection, playing a crucial role in equipment monitoring, process optimisation, and efficiency enhancement.…

Machine Learning · Computer Science 2025-03-18 Huajie Liang , Di Wang , Yuchao Lu , Mengke Song , Lei Liu , Ling An , Ying Liang , Xingjie Ma , Zhenyu Zhang , Chichun Zhou

KiCS2 is a new system to compile functional logic programs of the source language Curry into purely functional Haskell programs. The implementation is based on the idea to represent the search space as a data structure and logic variables…

Programming Languages · Computer Science 2011-08-30 Bernd Braßel , Michael Hanus , Björn Peemöller , Fabian Reck

The difficulty of the information extraction task lies in dealing with the task-specific label schemas and heterogeneous data structures. Recent work has proposed methods based on large language models to uniformly model different…

Computation and Language · Computer Science 2024-04-03 Xinglin Xiao , Yijie Wang , Nan Xu , Yuqi Wang , Hanxuan Yang , Minzheng Wang , Yin Luo , Lei Wang , Wenji Mao , Daniel Zeng

Despite the impressive performance of large language models (LLMs) in general domains, they often underperform in specialized domains. Existing approaches typically rely on data synthesis methods and yield promising results by using…

Computation and Language · Computer Science 2025-07-25 Xiaopeng Ke , Hexuan Deng , Xuebo Liu , Jun Rao , Zhenxi Song , Jun Yu , Min Zhang

Large Language Models (LLMs) are being increasingly employed in data science for tasks like data preprocessing and analytics. However, data scientists encounter substantial obstacles when conversing with LLM-powered chatbots and acting on…

Human-Computer Interaction · Computer Science 2023-10-26 Bhavya Chopra , Ananya Singha , Anna Fariha , Sumit Gulwani , Chris Parnin , Ashish Tiwari , Austin Z. Henley

Programmers frequently maintain implicit data invariants, which are relations between different data structures in a program. Traditionally, such invariants are manually enforced and checked by programmers. This ad-hoc practice is difficult…

Programming Languages · Computer Science 2019-10-29 John Sarracino , Shraddha Barke , Hila Peleg , Sorin Lerner , Nadia Polikarpova

Formal techniques have been shown to be useful in the development of correct software. But the level of expertise required of practitioners of these techniques prohibits their widespread adoption. Formal techniques need to be tailored to…

Software Engineering · Computer Science 2007-05-23 William Heaven , Alessandra Russo

Python is a particularly appealing language to carry out data analysis, owing in part to its user-friendly character as well as its access to well maintained and powerful libraries like NumPy and SciPy. Still, for the purpose of analyzing…

High Energy Physics - Lattice · Physics 2024-02-01 Luis Altenkort , David Anthony Clarke , Jishnu Goswami , Hauke Sandmeyer

Recent regulatory initiatives like the European AI Act and relevant voices in the Machine Learning (ML) community stress the need to describe datasets along several key dimensions for trustworthy AI, such as the provenance processes and…

Digital Libraries · Computer Science 2024-05-27 Joan Giner-Miguelez , Abel Gómez , Jordi Cabot

Artificial intelligence (AI) tools are being incorporated into scientific research workflows with the potential to enhance efficiency in tasks such as document analysis, question answering (Q&A), and literature search. However, system…

Artificial Intelligence · Computer Science 2026-05-13 Anthea Dathe , Kiran Hoffmann , Aline Mangold

Today's HPC applications are producing extremely large amounts of data, such that data storage and analysis are becoming more challenging for scientific research. In this work, we design a new error-controlled lossy compression algorithm…

Information Theory · Computer Science 2017-06-14 Dingwen Tao , Sheng Di , Zizhong Chen , Franck Cappello

We consider the problem of type-directed component based synthesis where, given a set of (typed) components and a query type, the goal is to synthesize a term that inhabits the query. Classical approaches based on proof search in…

Programming Languages · Computer Science 2022-04-01 Zheng Guo , Michael James , David Justo , Jiaxiao Zhou , Ziteng Wang , Ranjit Jhala , Nadia Polikarpova

We introduce FRAT, a new proof format for unsatisfiable SAT problems, and its associated toolchain. Compared to DRAT, the FRAT format allows solvers to include more information in proofs to reduce the computational cost of subsequent…

Logic in Computer Science · Computer Science 2023-06-22 Seulkee Baek , Mario Carneiro , Marijn J. H. Heule

The boolean satisfiability (SAT) problem asks whether there exists an assignment of boolean values to the variables of an arbitrary boolean formula making the formula evaluate to True. It is well-known that all NP-problems can be coded as…

Machine Learning · Computer Science 2024-10-22 Christopher R. Serrano , Jonathan Gallagher , Kenji Yamada , Alexei Kopylov , Michael A. Warren

Automated scientific discovery with large language models is transforming the research lifecycle from ideation to experimentation, yet existing agents struggle to autonomously process raw data collected from scientific experiments. We…

Artificial Intelligence · Computer Science 2026-04-29 Ke Lin , Yilin Lu , Shreyas Bhat , Xuehang Guo , Junier Oliva , Qingyun Wang

Developing safe, effective, and practically useful clinical prediction models (CPMs) traditionally requires iterative collaboration between clinical experts, data scientists, and informaticists. This process refines the often small but…

Artificial Intelligence · Computer Science 2026-01-15 Jean Feng , Avni Kothari , Patrick Vossler , Andrew Bishara , Lucas Zier , Newton Addo , Aaron Kornblith , Yan Shuo Tan , Chandan Singh