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Large language models (LLMs) are rapidly transforming materials science. This review examines recent LLM applications across the materials discovery pipeline, focusing on three key areas: mining scientific literature , predictive modelling,…

Computation and Language · Computer Science 2025-11-17 Fengxu Yang , Weitong Chen , Jack D. Evans

The Controlled Source Electromagnetic (CSEM) method aims to image electrical resistivity at intermediate depths (0-3 km) for geothermal, mineral, and groundwater exploration. It was developed both as a deeper extension of DC resistivity…

Geophysics · Physics 2026-05-28 F Bretaudeau , S Védrine , C Patzer , B Kim , F Dubois , U Autio , J Kamm , M Darnet

Large Language Models (LLMs) hold promise in automating data analysis tasks, yet open-source models face significant limitations in these kinds of reasoning-intensive scenarios. In this work, we investigate strategies to enhance the data…

Computation and Language · Computer Science 2025-11-14 Yuqi Zhu , Yi Zhong , Jintian Zhang , Ziheng Zhang , Shuofei Qiao , Yujie Luo , Lun Du , Da Zheng , Ningyu Zhang , Huajun Chen

Code completion has become a central task, gaining significant attention with the rise of large language model (LLM)-based tools in software engineering. Although recent advances have greatly improved LLMs' code completion abilities,…

Software Engineering · Computer Science 2026-01-23 Jiajun Zhang , Zeyu Cui , Lei Zhang , Jian Yang , Jiaxi Yang , Qiang Liu , Zilei Wang , Binyuan Hui , Liang Wang , Junyang Lin

The understanding of large-scale scientific software poses significant challenges due to its diverse codebase, extensive code length, and target computing architectures. The emergence of generative AI, specifically large language models…

Software Engineering · Computer Science 2024-03-19 Kareem Shaik , Dali Wang , Weijian Zheng , Qinglei Cao , Heng Fan , Peter Schwartz , Yunhe Feng

Electromagnetic simulations of complex geologic settings are computationally expensive. One reason for this is the fact that a fine mesh is required to accurately discretize the electrical conductivity model of a given setting. This…

Numerical Analysis · Mathematics 2022-03-29 Luz Angelica Caudillo-Mata , Eldad Haber , Lindsey J. Heagy , Christoph Schwarzbach

Evaluating code generation models for 3D spatial reasoning requires executing generated code in realistic environments and assessing outputs beyond surface-level correctness. We introduce a platform VoxelCode, for analyzing code generation…

Machine Learning · Computer Science 2026-04-06 Yan Zheng , Florian Bordes

We present a fully modular and scalable software pipeline for processing electron microscope (EM) images of brain slices into 3D visualization of individual neurons and demonstrate an end-to-end segmentation of a large EM volume using a…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-11-20 Rafael Vescovi , Hanyu Li , Jeffery Kinnison , Murat Keceli , Misha Salim , Narayanan Kasthuri , Thomas D. Uram , Nicola Ferrier

The recent advancements of Small Language Models (SLMs) have opened new possibilities for efficient code generation. SLMs offer lightweight and cost-effective alternatives to Large Language Models (LLMs), making them attractive for use in…

Software Engineering · Computer Science 2026-01-21 Md Mahade Hasan , Muhammad Waseem , Kai-Kristian Kemell , Jussi Rasku , Juha Ala-Rantala , Pekka Abrahamsson

Code editing plays a vital role in software engineering, requiring developers to adjust existing code according to natural language instructions while keeping functionality intact and avoiding unnecessary modifications. However,…

Software Engineering · Computer Science 2025-10-08 Zekai Zhang , Mingwei Liu , Zhenxi Chen , Linxi Liang , Yuxuan Chen , Guangsheng Ou , Yanlin Wang , Dan Li , Xin Peng , Zibin Zheng

Code large language models (Code LLMs) have made significant progress in code generation by translating natural language descriptions into functional code; however, real-world applications often demand stricter adherence to detailed…

Computation and Language · Computer Science 2025-08-04 Jian Yang , Wei Zhang , Shukai Liu , Linzheng Chai , Yingshui Tan , Jiaheng Liu , Ge Zhang , Wangchunshu Zhou , Guanglin Niu , Zhoujun Li , Binyuan Hui , Junyang Lin

High-fidelity numerical methods that model the physical layout of a device are essential for the design of many technologies. For methods that characterize electromagnetic effects, these numerical methods are referred to as computational…

Large Language Models (LLMs) are increasingly capable of generating complete applications from natural language instructions, creating new opportunities in science and education. In these domains, interactive scientific demonstrations are…

Software Engineering · Computer Science 2026-05-21 Qiaosheng Chen , Yang Liu , Lei Li , Kai Chen , Qipeng Guo , Gong Cheng , Fei Yuan

With the growing demand for spatiotemporal data processing and geospatial modeling, automating geospatial code generation has become essential for productivity. Large language models (LLMs) show promise in code generation but face…

Software Engineering · Computer Science 2024-10-21 Shuyang Hou , Zhangxiao Shen , Jianyuan Liang , Anqi Zhao , Zhipeng Gui , Rui Li , Huayi Wu

The need for computational resources grows as computational algorithms gain popularity in different sectors of the scientific community. This search has stimulated the development of several cloud platforms that abstract the complexity of…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-01-18 Henrique C. T. Santos , Luciano S. de Souza , Jonathan H. A. de Carvalho , Tiago A. E. Ferreira

Context. The rise of Large Language Models (LLMs) has led to their widespread adoption in development pipelines. Goal. We empirically assess the energy efficiency of Python code generated by LLMs against human-written code and code…

Software Engineering · Computer Science 2025-09-15 Radu Apsan , Vincenzo Stoico , Michel Albonico , Rudra Dhar , Karthik Vaidhyanathan , Ivano Malavolta

We introduce DSCodeBench, a new benchmark designed to evaluate large language models (LLMs) on complicated and realistic data science code generation tasks. DSCodeBench consists of 1,000 carefully constructed problems sourced from realistic…

Software Engineering · Computer Science 2025-11-18 Shuyin Ouyang , Dong Huang , Jingwen Guo , Zeyu Sun , Qihao Zhu , Jie M. Zhang

Large Language Models (LLMs) are increasingly applied to real-world code generation, where functional correctness alone is insufficient for reliable deployment, developers also expect adherence to explicit requirements for robustness,…

Software Engineering · Computer Science 2025-12-22 Sravani Gunnu , Shanmukha Guttula , Hima Patel

Developing and training deep learning models is expensive, so software engineers have begun to reuse pre-trained deep learning models (PTMs) and fine-tune them for downstream tasks. Despite the wide-spread use of PTMs, we know little about…

The rapid deployment of Large Language Models (LLMs) requires careful consideration of their effect on cybersecurity. Our work aims to improve the selection process of LLMs that are suitable for facilitating Secure Coding (SC). This raises…

Cryptography and Security · Computer Science 2024-08-30 Anton Rydén , Erik Näslund , Elad Michael Schiller , Magnus Almgren