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Proteins are fundamental to biology, executing diverse functions through complex physicochemical interactions, and they hold transformative potential across medicine, materials science, and environmental applications. Protein Language…

Biomolecules · Quantitative Biology 2025-06-11 Logan Hallee , Nikolaos Rafailidis , David B. Bichara , Jason P. Gleghorn

Language Models (LMs) excel in understanding textual descriptions of proteins, as evident in biomedical question-answering tasks. However, their capability falters with raw protein data, such as amino acid sequences, due to a deficit in…

Quantitative Methods · Quantitative Biology 2024-05-22 Zhiyuan Liu , An Zhang , Hao Fei , Enzhi Zhang , Xiang Wang , Kenji Kawaguchi , Tat-Seng Chua

Building a working mental model of a protein typically requires weeks of reading, cross-referencing crystal and predicted structures, and inspecting ligand complexes, an effort that is slow, unevenly accessible, and often requires…

Biomolecules · Quantitative Biology 2025-10-22 Carles Navarro , Mariona Torrens , Philipp Thölke , Stefan Doerr , Gianni De Fabritiis

Recent advances in large language models (LLMs) have increased the demand for comprehensive benchmarks to evaluate their capabilities as human-like agents. Existing benchmarks, while useful, often focus on specific application scenarios,…

Linking (aligning) biomedical concepts across diverse data sources enables various integrative analyses, but it is challenging due to the discrepancies in concept naming conventions. Various strategies have been developed to overcome this…

Information Retrieval · Computer Science 2024-05-14 Yuzhang Xie , Jiaying Lu , Joyce Ho , Fadi Nahab , Xiao Hu , Carl Yang

When using supervised fine-tuning (SFT) to adapt large language models (LLMs) to specific domains, a significant challenge arises: should we use the entire SFT dataset for fine-tuning? Common practice often involves fine-tuning directly on…

Computation and Language · Computer Science 2025-05-26 Xiang Liu , Zhaoxiang Liu , Peng Wang , Kohou Wang , Huan Hu , Kai Wang , Shiguo Lian

Modern AI progress has been driven by ML methods that are generalizable across settings and scalable to larger regimes. As large language models demonstrate advanced capabilities in reasoning, coding, and engineering tasks, it is…

Recent advances in NLP are brought by a range of large-scale pretrained language models (PLMs). These PLMs have brought significant performance gains for a range of NLP tasks, circumventing the need to customize complex designs for specific…

Computation and Language · Computer Science 2022-11-08 Xu Guo , Han Yu

Data science plays a critical role in biomedical research, but it requires professionals with expertise in coding and medical data analysis. Large language models (LLMs) have shown great potential in supporting medical tasks and performing…

Artificial Intelligence · Computer Science 2025-04-10 Zifeng Wang , Benjamin Danek , Ziwei Yang , Zheng Chen , Jimeng Sun

Large Language Models (LLMs) have demonstrated remarkable capabilities in code understanding and generation. However, their effectiveness on non-code Software Engineering (SE) tasks remains underexplored. We present 'Software Engineering…

Software Engineering · Computer Science 2026-02-12 Fabian C. Peña , Steffen Herbold

While large language models (LLMs) have become the de facto framework for literature-related tasks, they still struggle to function as domain-specific literature agents due to their inability to connect pieces of knowledge and reason across…

Digital Libraries · Computer Science 2026-03-03 Andreas Varvarigos , Ali Maatouk , Jiasheng Zhang , Ngoc Bui , Jialin Chen , Leandros Tassiulas , Rex Ying

In recent years, the integration of large language models (LLMs) has revolutionized the field of robotics, enabling robots to communicate, understand, and reason with human-like proficiency. This paper explores the multifaceted impact of…

Robotics · Computer Science 2024-08-16 Yeseung Kim , Dohyun Kim , Jieun Choi , Jisang Park , Nayoung Oh , Daehyung Park

Log analysis represents a critical sub-domain within AI applications that facilitates automatic approaches to fault and error management of large-scaled software systems, saving labors of traditional manual methods. While existing solutions…

Computation and Language · Computer Science 2025-08-27 Yuhe Ji , Yilun Liu , Feiyu Yao , Minggui He , Shimin Tao , Xiaofeng Zhao , Su Chang , Xinhua Yang , Weibin Meng , Yuming Xie , Boxing Chen , Shenglin Zhang , Yongqian Sun

Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates…

Machine Learning · Computer Science 2024-10-18 Xinyou Wang , Zaixiang Zheng , Fei Ye , Dongyu Xue , Shujian Huang , Quanquan Gu

Large language models (LLMs) have shown impressive capabilities in code generation. However, because most LLMs are trained on public domain corpora, directly applying them to real-world software development often yields low success rates,…

Artificial Intelligence · Computer Science 2026-03-26 Shuai Wang , Dhasarathy Parthasarathy , Robert Feldt , Yinan Yu

Large language models (LLMs) exhibit remarkable capabilities across diverse tasks, yet aligning them efficiently and effectively with human expectations remains a critical challenge. This thesis advances LLM alignment by introducing novel…

Computation and Language · Computer Science 2025-06-12 Yuxin Jiang

Large language models (LLMs) provide powerful means to leverage prior knowledge for predictive modeling when data is limited. In this work, we demonstrate how LLMs can use their compressed world knowledge to generate intrinsically…

This paper investigates the capabilities of large language models (LLMs) in formulating and solving decision-making problems using mathematical programming. We first conduct a systematic review and meta-analysis of recent literature to…

Artificial Intelligence · Computer Science 2025-08-26 Mohammad J. Abdel-Rahman , Yasmeen Alslman , Dania Refai , Amro Saleh , Malik A. Abu Loha , Mohammad Yahya Hamed

Rapid progress in deep learning has spurred its application to bioinformatics problems including protein structure prediction and design. In classic machine learning problems like computer vision, progress has been driven by standardized…

Biomolecules · Quantitative Biology 2019-02-04 Mohammed AlQuraishi

With the exponential increase in online scientific literature, identifying reliable domain-specific data has become increasingly important but also very challenging. Manual data collection and filtering for domain-specific scientific…

Information Retrieval · Computer Science 2026-03-10 Nikita Gautam , Doina Caragea , Ignacio Ciampitti , Federico Gomez
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