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The motif-scaffolding problem is a central task in computational protein design: Given the coordinates of atoms in a geometry chosen to confer a desired biochemical function (a motif), the task is to identify diverse protein structures…

Machine Learning · Computer Science 2025-02-20 Zhuoqi Zheng , Bo Zhang , Kieran Didi , Kevin K. Yang , Jason Yim , Joseph L. Watson , Hai-Feng Chen , Brian L. Trippe

Large Language Models (LLMs) have demonstrated remarkable proficiency across a variety of complex tasks. One significant application of LLMs is in tackling software engineering challenges, particularly in resolving real-world tasks on…

Computation and Language · Computer Science 2025-05-08 Chengxing Xie , Bowen Li , Chang Gao , He Du , Wai Lam , Difan Zou , Kai Chen

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

Large language models (LLMs) now support automated software security tasks, including vulnerability discovery and proof-of-concept (PoC) generation. Existing benchmarks do not faithfully evaluate LLMs in real-world bug hunting scenarios…

Cryptography and Security · Computer Science 2026-05-27 Hwiwon Lee , Jiawei Liu , Dongjun Kim , Ziqi Zhang , Chunqiu Steven Xia , Lingming Zhang

To adequately test modern code generation systems, evaluation benchmarks must execute and test the code generated by the system. However, these execution and testing requirements have largely limited benchmarks to settings where code is…

Software Engineering · Computer Science 2024-10-04 Yiqing Xie , Alex Xie , Divyanshu Sheth , Pengfei Liu , Daniel Fried , Carolyn Rose

Despite their success, large language models (LLMs) face the critical challenge of hallucinations, generating plausible but incorrect content. While much research has focused on hallucinations in multiple modalities including images and…

Software Engineering · Computer Science 2024-10-15 Nan Jiang , Qi Li , Lin Tan , Tianyi Zhang

Multimodal emotion recognition plays a crucial role in enhancing user experience in human-computer interaction. Over the past few decades, researchers have proposed a series of algorithms and achieved impressive progress. Although each…

Human-Computer Interaction · Computer Science 2024-04-23 Zheng Lian , Licai Sun , Yong Ren , Hao Gu , Haiyang Sun , Lan Chen , Bin Liu , Jianhua Tao

Software testing is a crucial phase in the software life cycle, helping identify potential risks and reduce maintenance costs. With the advancement of Large Language Models (LLMs), researchers have proposed an increasing number of LLM-based…

Software Engineering · Computer Science 2024-09-27 Quanjun Zhang , Ye Shang , Chunrong Fang , Siqi Gu , Jianyi Zhou , Zhenyu Chen

Optimization modeling translates real decision-making problems into mathematical optimization models and solver-executable implementations. Although language models are increasingly used to generate optimization formulations and solver…

Artificial Intelligence · Computer Science 2026-05-13 Zhong Li , Qi Huang , Yuxuan Zhu , Mohammad Mohammadi Amiri , Niki van Stein , Thomas Bäck , Matthijs van Leeuwen , Zaiwen Wen , Lincen Yang

Large language models (LLMs) are gaining increasing popularity in software engineering (SE) due to their unprecedented performance across various applications. These models are increasingly being utilized for a range of SE tasks, including…

Software Engineering · Computer Science 2025-11-05 Xing Hu , Feifei Niu , Junkai Chen , Xin Zhou , Junwei Zhang , Junda He , Xin Xia , David Lo

We introduce MCP-Bench, a benchmark for evaluating large language models (LLMs) on realistic, multi-step tasks that demand tool use, cross-tool coordination, precise parameter control, and planning/reasoning for solving tasks. Built on the…

Computation and Language · Computer Science 2025-08-29 Zhenting Wang , Qi Chang , Hemani Patel , Shashank Biju , Cheng-En Wu , Quan Liu , Aolin Ding , Alireza Rezazadeh , Ankit Shah , Yujia Bao , Eugene Siow

Instructed code editing, where LLMs directly modify a developer's existing code based on a user instruction, is becoming a widely used interaction mode in AI coding assistants. However, few benchmarks directly evaluate this capability and…

Maintaining large-scale, multilingual codebases hinges on accurately localizing issues, which requires mapping natural-language error descriptions to the relevant functions that need to be modified. However, existing ranking approaches are…

Software Engineering · Computer Science 2025-12-24 Revanth Gangi Reddy , Ye Liu , Wenting Zhao , JaeHyeok Doo , Tarun Suresh , Daniel Lee , Caiming Xiong , Yingbo Zhou , Semih Yavuz , Shafiq Joty

Code large language models (LLMs) have shown remarkable advances in code understanding, completion, and generation tasks. Programming benchmarks, comprised of a selection of code challenges and corresponding test cases, serve as a standard…

As machine learning tools progress, the inevitable question arises: How can machine learning help us write better code? With significant progress being achieved in natural language processing with models like GPT-3 and Bert, the…

Machine Learning · Computer Science 2023-05-08 Paul Kassianik , Erik Nijkamp , Bo Pang , Yingbo Zhou , Caiming Xiong

Programming assistants powered by large language models have improved dramatically, yet existing benchmarks still evaluate them in narrow code-generation settings. Recent efforts such as InfiBench and StackEval rely on Stack Overflow…

Software Engineering · Computer Science 2026-01-16 Myeongsoo Kim , Shweta Garg , Baishakhi Ray , Varun Kumar , Anoop Deoras

Benchmarking is essential for developing and evaluating black-box optimization algorithms, providing a structured means to analyze their search behavior. Its effectiveness relies on carefully selected problem sets used for evaluation. To…

Neural and Evolutionary Computing · Computer Science 2025-11-17 Iván Olarte Rodríguez , Maria Laura Santoni , Fabian Duddeck , Carola Doerr , Thomas Bäck , Elena Raponi

Large language models (LLMs) have demonstrated strong capabilities in various aspects. However, when applying them to the highly specialized, safe-critical legal domain, it is unclear how much legal knowledge they possess and whether they…

Computation and Language · Computer Science 2023-09-29 Zhiwei Fei , Xiaoyu Shen , Dawei Zhu , Fengzhe Zhou , Zhuo Han , Songyang Zhang , Kai Chen , Zongwen Shen , Jidong Ge

Creating large-scale verifiable training datasets for issue-resolving tasks is a critical yet notoriously difficult challenge. Existing methods on automating the Gym environment setup process for real-world issues suffer from low success…

Software Engineering · Computer Science 2025-09-11 Junhao Wang , Daoguang Zan , Shulin Xin , Siyao Liu , Yurong Wu , Kai Shen

As large language models become increasingly capable of generating code, evaluating their performance remains a complex and evolving challenge. Existing benchmarks primarily focus on functional correctness, overlooking the diversity of…

Software Engineering · Computer Science 2025-11-03 Forough Mehralian , Ryan Shar , James R. Rae , Alireza Hashemi