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Large Language Models (LLMs) have shown promise in assisting molecular property prediction tasks but often rely on human-crafted prompts and chain-of-thought templates. While recent advanced large reasoning models like DeepSeek-R1 employ…

Machine Learning · Computer Science 2026-01-21 Xuan Lin , Long Chen , Yile Wang

Code reproduction is a cornerstone of scientific validity, yet it remains a formidable challenge in computer networking research due to the scarcity of open-source implementations and the complexity of heterogeneous system architectures.…

Networking and Internet Architecture · Computer Science 2026-02-17 Yining Jiang , Yunxin Xu , Wenyun Xu , Yufan Zhu , Tangtang He , Haiying Huang , Letian Zhu , Qingyu Song , Qiang Su , Lizhao You , Lu Tang , Wanjin Feng , Yuchao Zhang , Linghe Kong , Qiao Xiang , Jiwu Shu

Identifying drug-target interactions is essential for developing effective therapeutics. Binding affinity quantifies these interactions, and traditional approaches rely on computationally intensive 3D structural data. In contrast, language…

Quantitative Methods · Quantitative Biology 2024-11-08 Radheesh Sharma Meda , Amir Barati Farimani

Responsible AI design is increasingly seen as an imperative by both AI developers and AI compliance experts. One of the key tasks is envisioning AI technology uses and risks. Recent studies on the model and data cards reveal that AI…

Human-Computer Interaction · Computer Science 2024-07-18 Viviane Herdel , Sanja Šćepanović , Edyta Bogucka , Daniele Quercia

This paper demonstrates that language models are strong structure-based protein designers. We present LM-Design, a generic approach to reprogramming sequence-based protein language models (pLMs), that have learned massive sequential…

Machine Learning · Computer Science 2023-02-10 Zaixiang Zheng , Yifan Deng , Dongyu Xue , Yi Zhou , Fei YE , Quanquan Gu

Language model pre-training has been shown to capture a surprising amount of world knowledge, crucial for NLP tasks such as question answering. However, this knowledge is stored implicitly in the parameters of a neural network, requiring…

Computation and Language · Computer Science 2020-02-21 Kelvin Guu , Kenton Lee , Zora Tung , Panupong Pasupat , Ming-Wei Chang

With the exponential increase of the protein sequence databases over time, multiple-sequence alignment (MSA) methods, like PSI-BLAST, perform exhaustive and time-consuming database search to retrieve evolutionary information. The resulting…

Quantitative Methods · Quantitative Biology 2023-08-21 Issar Arab

Recently, prompt tuning \cite{lester2021power} has gradually become a new paradigm for NLP, which only depends on the representation of the words by freezing the parameters of pre-trained language models (PLMs) to obtain remarkable…

Computation and Language · Computer Science 2022-01-31 Pan He , Yuxi Chen , Yan Wang , Yanru Zhang

Large language models (LLMs) are capable of many natural language tasks, yet they are far from perfect. In health applications, grounding and interpreting domain-specific and non-linguistic data is crucial. This paper investigates the…

Computation and Language · Computer Science 2024-04-30 Yubin Kim , Xuhai Xu , Daniel McDuff , Cynthia Breazeal , Hae Won Park

Protein language models (PLMs) have emerged as powerful tools to detect complex patterns of protein sequences. However, the capability of PLMs to fully capture information on protein sequences might be limited by focusing on single…

Machine Learning · Computer Science 2025-05-27 Hazem Alsamkary , Mohamed Elshaffei , Mohamed Elkerdawy , Ahmed Elnaggar

Evaluating Large Language Models (LLMs) in open-ended scenarios is challenging because existing benchmarks and metrics can not measure them comprehensively. To address this problem, we propose to fine-tune LLMs as scalable judges (JudgeLM)…

Computation and Language · Computer Science 2025-03-04 Lianghui Zhu , Xinggang Wang , Xinlong Wang

We introduce TableLLM, a robust large language model (LLM) with 8 billion parameters, purpose-built for proficiently handling tabular data manipulation tasks, whether they are embedded within documents or spreadsheets, catering to…

Computation and Language · Computer Science 2025-02-18 Xiaokang Zhang , Sijia Luo , Bohan Zhang , Zeyao Ma , Jing Zhang , Yang Li , Guanlin Li , Zijun Yao , Kangli Xu , Jinchang Zhou , Daniel Zhang-Li , Jifan Yu , Shu Zhao , Juanzi Li , Jie Tang

Protein language models (PLMs) have revolutionised computational biology through their ability to generate powerful sequence representations for diverse prediction tasks. However, their black-box nature limits biological interpretation and…

Biomolecules · Quantitative Biology 2025-04-11 Jan van Eck , Dea Gogishvili , Wilson Silva , Sanne Abeln

Protein language models (pLMs) excel in a variety of tasks that range from structure prediction to the design of functional enzymes. However, these models operate as black boxes, and their underlying working principles remain unclear. Here,…

Biomolecules · Quantitative Biology 2025-12-08 Andrea Hunklinger , Noelia Ferruz

Antibodies play a central role in the immune response by specifically recognizing and neutralizing antigens, and therapeutic antibodies have become major drugs for cancer and autoimmune diseases. However, their discovery still relies on…

Quantitative Methods · Quantitative Biology 2026-05-29 Xiao Luo

Deep learning-based natural language processing (NLP) models, particularly pre-trained language models (PLMs), have been revealed to be vulnerable to adversarial attacks. However, the adversarial examples generated by many mainstream…

Computation and Language · Computer Science 2023-11-21 Zimu Wang , Wei Wang , Qi Chen , Qiufeng Wang , Anh Nguyen

There is vivid research on adapting Large Language Models (LLMs) to perform a variety of tasks in high-stakes domains such as healthcare. Despite their popularity, there is a lack of understanding of the extent and contributing factors that…

Computation and Language · Computer Science 2024-06-07 Anand Subramanian , Viktor Schlegel , Abhinav Ramesh Kashyap , Thanh-Tung Nguyen , Vijay Prakash Dwivedi , Stefan Winkler

Accurate estimates of item difficulty are essential for valid assessment and effective adaptive learning. However, for newly created tasks, response data are typically unavailable. Pretesting and expert judgement can be costly and slow,…

This white paper presents our work on SurveyLM, a platform for analyzing augmented language models' (ALMs) emergent alignment behaviors through their dynamically evolving attitude and value perspectives in complex social contexts. Social…

Artificial Intelligence · Computer Science 2023-08-02 Steve J. Bickley , Ho Fai Chan , Bang Dao , Benno Torgler , Son Tran

We propose a novel application of prompting Pre-trained Language Models (PLMs) to generate analogies and study how to design effective prompts for two task settings: generating a source concept analogous to a given target concept (aka…

Computation and Language · Computer Science 2022-10-12 Bhavya Bhavya , Jinjun Xiong , Chengxiang Zhai