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Large Language Models (LLMs) have achieved remarkable progress in recent years, driving their adoption across a wide range of domains, including computer security. In reverse engineering, LLMs are increasingly applied to critical tasks such…

Cryptography and Security · Computer Science 2026-05-01 Jun Yeon Won , Xin Jin , Shiqing Ma , Zhiqiang Lin

Pre-trained Large Language Models (LLMs) are beginning to dominate the discourse around automatic code generation with natural language specifications. In contrast, the best-performing synthesizers in the domain of formal synthesis with…

Artificial Intelligence · Computer Science 2024-05-28 Yixuan Li , Julian Parsert , Elizabeth Polgreen

Large language models (LLMs) demonstrate remarkable performance across various tasks, prompting researchers to develop diverse evaluation benchmarks. However, most benchmarks typically measure the ability of LLMs to respond to individual…

Computation and Language · Computer Science 2026-01-30 Yutao Hou , Yajing Luo , Zhiwen Ruan , Hongru Wang , Weifeng Ge , Yun Chen , Guanhua Chen

Self-correction of large language models (LLMs) emerges as a critical component for enhancing their reasoning performance. Although various self-correction methods have been proposed, a comprehensive evaluation of these methods remains…

Computation and Language · Computer Science 2025-10-23 Guiyao Tie , Zenghui Yuan , Zeli Zhao , Chaoran Hu , Tianhe Gu , Ruihang Zhang , Sizhe Zhang , Junran Wu , Xiaoyue Tu , Ming Jin , Qingsong Wen , Lixing Chen , Pan Zhou , Lichao Sun

Large Language Models (LLMs) are increasingly deployed in critical applications requiring reliable reasoning, yet their internal reasoning processes remain difficult to evaluate systematically. Existing methods focus on final-answer…

Machine Learning · Computer Science 2026-02-03 Shaima Ahmad Freja , Ferhat Ozgur Catak , Betul Yurdem , Chunming Rong

Recommender systems (RecSys) are widely used across various modern digital platforms and have garnered significant attention. Traditional recommender systems usually focus only on fixed and simple recommendation scenarios, making it…

Information Retrieval · Computer Science 2026-02-03 Jiani Huang , Shijie Wang , Liang-bo Ning , Wenqi Fan , Shuaiqiang Wang , Dawei Yin , Qing Li

Ensuring the reliability of Large Language Models (LLMs) in complex reasoning tasks remains a formidable challenge, particularly in scenarios that demand precise mathematical calculations and knowledge-intensive open-domain generation. In…

Machine Learning · Computer Science 2025-05-27 Ali Razghandi , Seyed Mohammad Hadi Hosseini , Mahdieh Soleymani Baghshah

Enhancing the ability of large language models (LLMs) to follow complex instructions is critical for their deployment in real-world applications. However, existing evaluation methods often oversimplify instruction complexity as a mere…

Computation and Language · Computer Science 2026-03-10 Xiaona Xue , Yiqiao Huang , Jiacheng Li , Yuanhang Zheng , Huiqi Miao , Yunfei Ma , Rui Liu , Xinbao Sun , Minglu Liu , Fanyu Meng , Chao Deng , Junlan Feng

In response to the growing complexity and volume of scientific literature, this paper introduces the LLMs4Synthesis framework, designed to enhance the capabilities of Large Language Models (LLMs) in generating high-quality scientific…

Computation and Language · Computer Science 2024-09-30 Hamed Babaei Giglou , Jennifer D'Souza , Sören Auer

Evaluating consistency in large language models (LLMs) is crucial for ensuring reliability, particularly in complex, multi-step interactions between humans and LLMs. Traditional self-consistency methods often miss subtle semantic changes in…

Artificial Intelligence · Computer Science 2025-06-18 Zhaochen Hong , Haofei Yu , Jiaxuan You

We present \synver{}, a novel synthesis and verification framework for C programs, that deploys a Large Language Model (LLM) to search for a candidate program that satisfies the given specification. Our key idea is to impose syntactic and…

Programming Languages · Computer Science 2025-10-21 Prasita Mukherjee , Benjamin Delaware

Accessing the synthesizability of crystal structures is pivotal for advancing the practical application of theoretical material structures designed by machine learning or high-throughput screening. However, a significant gap exists between…

Materials Science · Physics 2024-07-10 Zhilong Song , Shuaihua Lu , Minggang Ju , Qionghua Zhou , Jinlan Wang

Evaluating Large Language Models (LLMs) with respect to real-world code complexity is essential. Otherwise, there is a risk of overestimating LLMs' programming abilities based on simplistic benchmarks, only to be disappointed when using…

Software Engineering · Computer Science 2026-02-24 Yang Chen , Shuyang Liu , Reyhaneh Jabbarvand

Large Language Models (LLM) are increasingly used for software development, yet existing benchmarks for LLM-based coding assistance do not reflect the constraints of High Energy Physics (HEP) and High Performance Computing (HPC) software.…

Existing approaches typically rely on large-scale fine-tuning to adapt LLMs for information reranking tasks, which is computationally expensive. In this work, we demonstrate that modern LLMs can be effectively adapted using only minimal,…

Computation and Language · Computer Science 2025-10-28 Tingyu Song , Yilun Zhao , Siyue Zhang , Chen Zhao , Arman Cohan

Large Language Models (LLMs) have shown significant promise in plan generation. Yet, existing datasets often lack the complexity needed for advanced tool use scenarios - such as handling paraphrased query statements, supporting multiple…

Machine Learning · Computer Science 2024-09-20 Andrei Cosmin Redis , Mohammadreza Fani Sani , Bahram Zarrin , Andrea Burattin

Large Multimodal Models (LMMs) are increasingly applied to scientific research, yet it remains unclear whether they can reliably understand and reason over the multimodal complexity of papers. A central challenge lies in detecting and…

Computer Vision and Pattern Recognition · Computer Science 2026-02-17 Lukas Selch , Yufang Hou , M. Jehanzeb Mirza , Sivan Doveh , James Glass , Rogerio Feris , Wei Lin

Step-by-step reasoning is widely used to enhance the reasoning ability of large language models (LLMs) in complex problems. Evaluating the quality of reasoning traces is crucial for understanding and improving LLM reasoning. However,…

Computation and Language · Computer Science 2025-09-23 Jinu Lee , Julia Hockenmaier

Organic reaction mechanisms are the stepwise elementary reactions by which reactants form intermediates and products, and are fundamental to understanding chemical reactivity and designing new molecules and reactions. Although large…

Artificial Intelligence · Computer Science 2026-05-05 Ruiling Xu , Yifan Zhang , Qingyun Wang , Carl Edwards , Heng Ji

Large language models (LLMs) have demonstrated strong performance on function-level code generation benchmarks, yet real-world software development increasingly demands class-level implementations that integrate multiple methods,…

Software Engineering · Computer Science 2025-11-06 Musfiqur Rahman , SayedHassan Khatoonabadi , Emad Shihab