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Research in AI4Science has shown promise in many science applications, including polymer design. However, current LLMs are ineffective in this problem space because: (i) most models lack polymer-specific knowledge, and (ii) existing aligned…

Computation and Language · Computer Science 2026-05-28 Dikshya Mohanty , Mohammad Saqib Hasan , Syed Mostofa Monsur , Size Zheng , Benjamin Hsiao , Niranjan Balasubramanian

Formal verification is the next frontier for ensuring the correctness of code generated by Large Language Models (LLMs). While methods that co-generate code and formal specifications in formal languages, like Dafny, can, in principle, prove…

Programming Languages · Computer Science 2026-04-21 Lingfei Zeng , Fengdi Che , Xuhan Huang , Fei Ye , Xu Xu , Binhang Yuan , Jie Fu

As the application of Large Language Models (LLMs) expands, the demand for reliable evaluations increases. Existing LLM evaluation benchmarks primarily rely on static datasets, making it challenging to assess model performance in dynamic…

Computation and Language · Computer Science 2024-10-08 Qingchen Yu , Shichao Song , Ke Fang , Yunfeng Shi , Zifan Zheng , Hanyu Wang , Simin Niu , Zhiyu Li

Scientific equation discovery is a fundamental task in the history of scientific progress, enabling the derivation of laws governing natural phenomena. Recently, Large Language Models (LLMs) have gained interest for this task due to their…

Computation and Language · Computer Science 2025-06-10 Parshin Shojaee , Ngoc-Hieu Nguyen , Kazem Meidani , Amir Barati Farimani , Khoa D Doan , Chandan K Reddy

With reasoning language models such as OpenAI-o3 and DeepSeek-R1 emerging, large language models (LLMs) have entered a new phase of development. However, existing benchmarks for coding evaluation are gradually inadequate to assess the…

Computation and Language · Computer Science 2025-03-03 Lei Yang , Renren Jin , Ling Shi , Jianxiang Peng , Yue Chen , Deyi Xiong

While LLM-Based agents, which use external tools to solve complex problems, have made significant progress, benchmarking their ability is challenging, thereby hindering a clear understanding of their limitations. In this paper, we propose…

Computation and Language · Computer Science 2024-11-07 Chuyu Zhang , Songyang Zhang , Yingfan Hu , Haowen Shen , Kuikun Liu , Zerun Ma , Fengzhe Zhou , Wenwei Zhang , Xuming He , Dahua Lin , Kai Chen

Long contexts of recent LLMs have enabled a new use case: asking models to find security vulnerabilities in entire codebases. To evaluate model performance on this task, we introduce eyeballvul: a benchmark designed to test the…

Cryptography and Security · Computer Science 2024-07-16 Timothee Chauvin

Evaluating progress in large language models (LLMs) is often constrained by the challenge of verifying responses, limiting assessments to tasks like mathematics, programming, and short-form question-answering. However, many real-world…

Computation and Language · Computer Science 2026-05-19 Zhilin Wang , Jaehun Jung , Ximing Lu , Shizhe Diao , Ellie Evans , Jiaqi Zeng , Pavlo Molchanov , Yejin Choi , Jan Kautz , Yi Dong

The widespread adoption of web applications has made their security a critical concern and has increased the need for systematic ways to assess whether they can be considered trustworthy. However, "trust" assessment remains an open problem…

Cryptography and Security · Computer Science 2026-03-26 Oleksandr Yarotskyi , José D'Abruzzo Pereira , João R. Campos

Model merging provides a scalable alternative to multi-task training by combining specialized finetuned models through parameter arithmetic, enabling efficient deployment without the need for joint training or access to all task data. While…

Machine Learning · Computer Science 2025-10-21 Yifei He , Siqi Zeng , Yuzheng Hu , Rui Yang , Tong Zhang , Han Zhao

Predictive analysis is a cornerstone of modern decision-making, with applications in various domains. Large Language Models (LLMs) have emerged as powerful tools in enabling nuanced, knowledge-intensive conversations, thus aiding in complex…

Computation and Language · Computer Science 2025-05-26 Qin Chen , Yuanyi Ren , Xiaojun Ma , Yuyang Shi

Large Language Models (LLMs) for code are rapidly evolving, with code editing emerging as a critical capability. We introduce CodeEditorBench, an evaluation framework designed to rigorously assess the performance of LLMs in code editing…

Large Language Models (LLMs) have demonstrated exceptional performance in code generation tasks and have become indispensable programming assistants for developers. However, existing code generation benchmarks primarily assess the…

Software Engineering · Computer Science 2025-11-25 Peiding Wang , Li Zhang , Fang Liu , Lin Shi , Minxiao Li , Bo Shen , An Fu

We introduce SimulBench, a benchmark designed to evaluate large language models (LLMs) across a diverse collection of creative simulation scenarios, such as acting as a Linux terminal or playing text games with users. While these simulation…

Computation and Language · Computer Science 2024-09-13 Qi Jia , Xiang Yue , Tianyu Zheng , Jie Huang , Bill Yuchen Lin

Large multimodal models (LMMs) have evolved from large language models (LLMs) to integrate multiple input modalities, such as visual inputs. This integration augments the capacity of LLMs for tasks requiring visual comprehension and…

Computer Vision and Pattern Recognition · Computer Science 2024-04-01 Mohammad Reza Taesiri , Tianjun Feng , Anh Nguyen , Cor-Paul Bezemer

Instruction following is one of the fundamental capabilities of large language models (LLMs). As the ability of LLMs is constantly improving, they have been increasingly applied to deal with complex human instructions in real-world…

Computation and Language · Computer Science 2024-11-01 Bosi Wen , Pei Ke , Xiaotao Gu , Lindong Wu , Hao Huang , Jinfeng Zhou , Wenchuang Li , Binxin Hu , Wendy Gao , Jiaxin Xu , Yiming Liu , Jie Tang , Hongning Wang , Minlie Huang

Large language models (LLMs) are increasingly integrated into legal drafting and research workflows, where incorrect citations or fabricated precedents can cause serious professional harm. Existing legal benchmarks largely emphasize…

Computation and Language · Computer Science 2026-05-12 Sijia Chen , Hang Yin , Shunfan Zhou

With the widespread adoption of vibe coding, understanding the reasoning and robustness of Large Language Models (LLMs) is critical for their reliable use in programming tasks. While recent studies assess LLMs' ability to predict program…

Software Engineering · Computer Science 2026-05-08 Pedro Orvalho , Marta Kwiatkowska

With the rapid advancement of large language models (LLMs), extensive research has been conducted to investigate the code generation capabilities of LLMs. However, existing efforts primarily focus on general-domain tasks, leaving LLMs' code…

Software Engineering · Computer Science 2025-03-18 Dewu Zheng , Yanlin Wang , Ensheng Shi , Xilin Liu , Yuchi Ma , Hongyu Zhang , Zibin Zheng

Large language models (LLMs) have demonstrated remarkable capabilities in various software engineering tasks, such as code generation and debugging, because of their ability to translate between programming languages and natural languages.…

Software Engineering · Computer Science 2025-11-04 Wenqing Zhu , Norihiro Yoshida , Eunjong Choi , Yutaka Matsubara , Hiroaki Takada