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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

Retrieval-augmented generation (RAG) introduces additional information to enhance large language models (LLMs). In machine translation (MT), previous work typically retrieves in-context examples from paired MT corpora, or domain-specific…

Computation and Language · Computer Science 2025-09-01 Jiaan Wang , Fandong Meng , Yingxue Zhang , Jie Zhou

This paper presents a new Unified pre-trained Language Model (UniLM) that can be fine-tuned for both natural language understanding and generation tasks. The model is pre-trained using three types of language modeling tasks: unidirectional,…

Computation and Language · Computer Science 2019-10-16 Li Dong , Nan Yang , Wenhui Wang , Furu Wei , Xiaodong Liu , Yu Wang , Jianfeng Gao , Ming Zhou , Hsiao-Wuen Hon

Language model (LM) "reasoning", commonly described as Chain-of-Thought or test-time scaling, often improves benchmark performance, but the dynamics underlying this process remain poorly understood. We study these dynamics through the lens…

Large-scale reinforcement learning (RL) methods have proven highly effective in enhancing the reasoning abilities of large language models (LLMs), particularly for tasks with verifiable solutions such as mathematics and coding. However,…

Computation and Language · Computer Science 2025-04-15 Zhaopeng Feng , Shaosheng Cao , Jiahan Ren , Jiayuan Su , Ruizhe Chen , Yan Zhang , Zhe Xu , Yao Hu , Jian Wu , Zuozhu Liu

Learning high-quality text representations is fundamental to a wide range of NLP tasks. While encoder pretraining has traditionally relied on Masked Language Modeling (MLM), recent evidence suggests that decoder models pretrained with…

Representation learning has significantly driven the field to develop pretrained models that can act as a valuable starting point when transferring to new datasets. With the rising demand for reliable machine learning and uncertainty…

Machine Learning · Computer Science 2023-10-20 Michael Kirchhof , Bálint Mucsányi , Seong Joon Oh , Enkelejda Kasneci

New medical treatment development requires multiple phases of clinical trials. Despite the significant human and financial costs of bringing a drug to market, less than 20% of drugs in testing will make it from the first phase to final…

Computation and Language · Computer Science 2024-08-21 Michael Reinisch , Jianfeng He , Chenxi Liao , Sauleh Ahmad Siddiqui , Bei Xiao

Masked language modeling (MLM), a self-supervised pretraining objective, is widely used in natural language processing for learning text representations. MLM trains a model to predict a random sample of input tokens that have been replaced…

Computation and Language · Computer Science 2021-09-07 Atsuki Yamaguchi , George Chrysostomou , Katerina Margatina , Nikolaos Aletras

Antibodies are vital proteins offering robust protection for the human body from pathogens. The development of general protein and antibody-specific pre-trained language models both facilitate antibody prediction tasks. However, there have…

Computation and Language · Computer Science 2023-03-03 Danqing Wang , Fei Ye , Hao Zhou

Deep Reinforcement Learning (DRL) has achieved impressive success in many applications. A key component of many DRL models is a neural network representing a Q function, to estimate the expected cumulative reward following a state-action…

Machine Learning · Computer Science 2018-07-17 Guiliang Liu , Oliver Schulte , Wang Zhu , Qingcan Li

We propose ProtLLM, a versatile cross-modal large language model (LLM) for both protein-centric and protein-language tasks. ProtLLM features a unique dynamic protein mounting mechanism, enabling it to handle complex inputs where the natural…

Biomolecules · Quantitative Biology 2024-03-14 Le Zhuo , Zewen Chi , Minghao Xu , Heyan Huang , Heqi Zheng , Conghui He , Xian-Ling Mao , Wentao Zhang

The anti-cancer immune response relies on the bindings between T-cell receptors (TCRs) and antigens, which elicits adaptive immunity to eliminate tumor cells. This ability of the immune system to respond to novel various neoantigens arises…

Quantitative Methods · Quantitative Biology 2025-11-11 Xing Fang , Chenpeng Yu , Shiye Tian , Hui Liu

While protein language models (pLMs) have transformed biological research, the scaling laws governing their improvement remain underexplored. By adapting methodologies from NLP scaling laws, we investigated the optimal ratio between model…

Biomolecules · Quantitative Biology 2024-06-27 Yaiza Serrano , Álvaro Ciudad , Alexis Molina

Phenotype-driven gene prioritization is a critical process in the diagnosis of rare genetic disorders for identifying and ranking potential disease-causing genes based on observed physical traits or phenotypes. While traditional approaches…

Quantitative Methods · Quantitative Biology 2024-04-04 Junyoung Kim , Jingye Yang , Kai Wang , Chunhua Weng , Cong Liu

Enzyme engineering enables the modification of wild-type proteins to meet industrial and research demands by enhancing catalytic activity, stability, binding affinities, and other properties. The emergence of deep learning methods for…

Computation and Language · Computer Science 2024-10-29 Yang Tan , Ruilin Wang , Banghao Wu , Liang Hong , Bingxin Zhou

Deciphering the function of unseen protein sequences is a fundamental challenge with broad scientific impact, yet most existing methods depend on task-specific adapters or large-scale supervised fine-tuning. We introduce the…

Machine Learning · Computer Science 2025-10-14 Xinhui Chen , Zuchao Li , Mengqi Gao , Yufeng Zhang , Chak Tou Leong , Haoyang Li , Jiaqi Chen

Representations from transformer-based unidirectional language models are known to be effective at predicting brain responses to natural language. However, most studies comparing language models to brains have used GPT-2 or similarly sized…

Computation and Language · Computer Science 2024-01-31 Richard Antonello , Aditya Vaidya , Alexander G. Huth

Pre-trained language models (PLMs) have achieved great success in NLP and have recently been used for tasks in computational semantics. However, these tasks do not fully benefit from PLMs since meaning representations are not explicitly…

Computation and Language · Computer Science 2023-06-02 Chunliu Wang , Huiyuan Lai , Malvina Nissim , Johan Bos

Large language models (LLMs) have rapidly advanced and demonstrated impressive capabilities. In-Context Learning (ICL) and Parameter-Efficient Fine-Tuning (PEFT) are currently two mainstream methods for augmenting LLMs to downstream tasks.…

Computation and Language · Computer Science 2024-11-21 Luohe Shi , Yao Yao , Zuchao Li , Lefei Zhang , Hai Zhao