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Identification of protein-protein interactions (PPIs) helps derive cellular mechanistic understanding, particularly in the context of complex conditions such as neurodegenerative disorders, metabolic syndromes, and cancer. Large Language…

Machine Learning · Computer Science 2025-08-18 Sanket Jantre , Tianle Wang , Gilchan Park , Kriti Chopra , Nicholas Jeon , Xiaoning Qian , Nathan M. Urban , Byung-Jun Yoon

Molecular property prediction is a crucial foundation for drug discovery. In recent years, pre-trained deep learning models have been widely applied to this task. Some approaches that incorporate prior biological domain knowledge into the…

Machine Learning · Computer Science 2024-08-20 Tianyu Zhang , Yuxiang Ren , Chengbin Hou , Hairong Lv , Xuegong Zhang

Language models (LMs) are machine learning models designed to predict linguistic patterns by estimating the probability of word sequences based on large-scale datasets, such as text. LMs have a wide range of applications in natural language…

With the rise of Transformers and Large Language Models (LLMs) in Chemistry and Biology, new avenues for the design and understanding of therapeutics have opened up to the scientific community. Protein sequences can be modeled as language…

Machine Learning · Computer Science 2023-11-01 Seongwon Kim , Parisa Mollaei , Akshay Antony , Rishikesh Magar , Amir Barati Farimani

The applications of large language models (LLMs) are promising for biomedical and healthcare research. Despite the availability of open-source LLMs trained using a wide range of biomedical data, current research on the applications of LLMs…

Machine Learning · Computer Science 2024-09-25 Tianyu Liu , Yijia Xiao , Xiao Luo , Hua Xu , W. Jim Zheng , Hongyu Zhao

Studying protein mutations within amino acid sequences holds tremendous significance in life sciences. Protein language models (PLMs) have demonstrated strong capabilities in broad biological applications. However, due to architectural…

Machine Learning · Computer Science 2024-10-31 Yizhen Luo , Zikun Nie , Massimo Hong , Suyuan Zhao , Hao Zhou , Zaiqing Nie

Sentence Embedding stands as a fundamental task within the realm of Natural Language Processing, finding extensive application in search engines, expert systems, and question-and-answer platforms. With the continuous evolution of large…

Computation and Language · Computer Science 2024-05-16 Bowen Zhang , Kehua Chang , Chunping Li

The combination of Large Language Models (LLMs), systematic evaluation, and evolutionary algorithms has enabled breakthroughs in combinatorial optimization and scientific discovery. We propose to extend this powerful combination to the…

Artificial Intelligence · Computer Science 2026-03-12 Carlo Bosio , Mark W. Mueller

Accurate prediction of enzymatic activity from amino acid sequences could drastically accelerate enzyme engineering for applications such as bioremediation and therapeutics development. In recent years, Protein Language Model (PLM)…

Quantitative Methods · Quantitative Biology 2025-05-07 Duncan F. Muir , Parker Grosjean , Margaux M. Pinney , Michael J. Keiser

Large Language Models (LLMs) are the cornerstone in automating Requirements Engineering (RE) tasks, underpinning recent advancements in the field. Their pre-trained comprehension of natural language is pivotal for effectively tailoring them…

Software Engineering · Computer Science 2024-05-16 Andreas Vogelsang , Jannik Fischbach

Aligning language models (LMs) with preferences is an important problem in natural language generation. A key challenge is that preferences are typically provided at the sequence level while LM training and generation both occur at the…

Computation and Language · Computer Science 2025-01-09 Shentao Yang , Shujian Zhang , Congying Xia , Yihao Feng , Caiming Xiong , Mingyuan Zhou

Rule-based decision models are attractive due to their interpretability. However, existing rule induction methods often result in long and consequently less interpretable rule models. This problem can often be attributed to the lack of…

Machine Learning · Statistics 2022-07-29 Remy Kusters , Yusik Kim , Marine Collery , Christian de Sainte Marie , Shubham Gupta

Large Language Models (LLMs) have shown remarkable performance in various natural language processing tasks but face challenges in mathematical reasoning, where complex problem-solving requires both linguistic understanding and mathematical…

Computation and Language · Computer Science 2025-03-20 Shuguang Chen , Guang Lin

A Large Language Model (LLM) represents a cutting-edge artificial intelligence model that generates coherent content, including grammatically precise sentences, human-like paragraphs, and syntactically accurate code snippets. LLMs can play…

Software Engineering · Computer Science 2023-12-11 Robson Santos , Italo Santos , Cleyton Magalhaes , Ronnie de Souza Santos

Neuroscientists evaluate deep neural networks for natural language processing as possible candidate models for how language is processed in the brain. These models are often trained without explicit linguistic supervision, but have been…

Computation and Language · Computer Science 2021-02-01 Mostafa Abdou , Ana Valeria Gonzalez , Mariya Toneva , Daniel Hershcovich , Anders Søgaard

This work presents a novel systematic methodology to analyse the capabilities and limitations of Large Language Models (LLMs) with feedback from a formal inference engine, on logic theory induction. The analysis is complexity-graded w.r.t.…

Computation and Language · Computer Science 2025-01-15 João Pedro Gandarela , Danilo S. Carvalho , André Freitas

Given usefulness of protein language models (LMs) in structure and functional inference, RNA LMs have received increased attentions in the last few years. However, these RNA models are often not compared against the same standard. Here, we…

Biomolecules · Quantitative Biology 2025-05-15 He Wang , Yikun Zhang , Jie Chen , Jian Zhan , Yaoqi Zhou

Modern deep neural networks achieve impressive performance in engineering applications that require extensive linguistic skills, such as machine translation. This success has sparked interest in probing whether these models are inducing…

Computation and Language · Computer Science 2020-04-24 Tal Linzen , Marco Baroni

Peptide classification tasks, such as predicting toxicity and HIV inhibition, are fundamental to bioinformatics and drug discovery. Traditional approaches rely heavily on handcrafted encodings of one-dimensional (1D) peptide sequences,…

Artificial Intelligence · Computer Science 2025-11-14 Vincent Schilling , Akshat Dubey , Georges Hattab

Large language models (LLMs) have achieved remarkable success across various natural language processing (NLP) tasks. However, recent studies suggest that they still face challenges in performing fundamental NLP tasks essential for deep…

Computation and Language · Computer Science 2025-04-22 Ziyan Zhang , Yang Hou , Chen Gong , Zhenghua Li
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