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This paper presents an empirical study of conversational question reformulation (CQR) with sequence-to-sequence architectures and pretrained language models (PLMs). We leverage PLMs to address the strong token-to-token independence…

Computation and Language · Computer Science 2020-04-07 Sheng-Chieh Lin , Jheng-Hong Yang , Rodrigo Nogueira , Ming-Feng Tsai , Chuan-Ju Wang , Jimmy Lin

Clinical prediction is an essential task in the healthcare industry. However, the recent success of transformers, on which large language models are built, has not been extended to this domain. In this research, we explore the use of…

Computation and Language · Computer Science 2023-05-08 Zekai Chen , Mariann Micsinai Balan , Kevin Brown

Transformer, originally devised for natural language processing, has also attested significant success in computer vision. Thanks to its super expressive power, researchers are investigating ways to deploy transformers to reinforcement…

Machine Learning · Computer Science 2023-01-24 Shengchao Hu , Li Shen , Ya Zhang , Yixin Chen , Dacheng Tao

Pre-trained language models have recently emerged as a powerful tool for fine-tuning a variety of language tasks. Ideally, when models are pre-trained on large amount of data, they are expected to gain implicit knowledge. In this paper, we…

Computation and Language · Computer Science 2023-06-22 Mohamad Ballout , Ulf Krumnack , Gunther Heidemann , Kai-Uwe Kühnberger

Extreme Learning Machines (ELM) provide a fast alternative to traditional gradient-based learning in neural networks, offering rapid training and robust generalization capabilities. Its theoretical basis shows its universal approximation…

Machine Learning · Computer Science 2024-06-27 Ergun Biçici

Pre-trained transformer language models (LMs) have in recent years become the dominant paradigm in applied NLP. These models have achieved state-of-the-art performance on tasks such as information extraction, question answering, sentiment…

Computation and Language · Computer Science 2025-04-14 Aidan Mannion , Thierry Chevalier , Didier Schwab , Lorraine Geouriot

Modern large language models (LLMs) excel at tasks that require storing and retrieving knowledge, such as factual recall and question answering. Transformers are central to this capability because they can encode information during training…

Machine Learning · Statistics 2026-03-18 Nuri Mert Vural , Alberto Bietti , Mahdi Soltanolkotabi , Denny Wu

Designing full-length, epitope-specific TCR {\alpha}\b{eta} remains challenging due to vast sequence space, data biases and incomplete modeling of immunogenetic constraints. We present LSMTCR, a scalable multi-architecture framework that…

Computational Engineering, Finance, and Science · Computer Science 2025-10-09 Ruihao Zhang , Xiao Liu

Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for a machine learning revolution and have already been profoundly impacted by the…

Chemical Physics · Physics 2019-11-11 Frank Noé , Alexandre Tkatchenko , Klaus-Robert Müller , Cecilia Clementi

We present Pre-trained Machine Reader (PMR), a novel method for retrofitting pre-trained masked language models (MLMs) to pre-trained machine reading comprehension (MRC) models without acquiring labeled data. PMR can resolve the discrepancy…

Computation and Language · Computer Science 2023-10-17 Weiwen Xu , Xin Li , Wenxuan Zhang , Meng Zhou , Wai Lam , Luo Si , Lidong Bing

Chemical language models (CLMs) have emerged as promising competitors to popular classical machine learning models for molecular property prediction (MPP) tasks. However, an increasing number of studies have reported inconsistent and…

Machine Learning · Computer Science 2026-03-17 Mohammad Mostafanejad , Paul Saxe , T. Daniel Crawford

Data-driven modeling based on Machine Learning (ML) is becoming a central component of protein engineering workflows. This perspective presents the elements necessary to develop effective, reliable, and reproducible ML models, and a set of…

Biomolecules · Quantitative Biology 2025-07-11 Fabio Herrera-Rocha , David Medina-Ortiz , Fabian Mauz , Juergen Pleiss , Mehdi D. Davari

Large language models (LLMs) have shown promise in various natural language processing tasks, including their application to proteomics data to classify protein fragments. In this study, we curated a limited mass spectrometry dataset with…

Quantitative Methods · Quantitative Biology 2025-02-28 Taylor A Phillips , Alejandro W. Huskey , Patrick T. Huskey , Seth L. Robia , Peter M. Kekenes-Huskey

The new transmission control protocol (TCP) relies on Deep Learning (DL) for prediction and optimization, but requires significant manual effort to design deep neural networks (DNNs) and struggles with generalization in dynamic…

Networking and Internet Architecture · Computer Science 2024-12-25 Shyam Kumar Shrestha , Shiva Raj Pokhrel , Jonathan Kua

Identifying T-cell receptors (TCRs) that interact with antigenic peptides provides the technical basis for developing vaccines and immunotherapies. The emergent deep learning methods excel at learning antigen binding patterns from known…

Quantitative Methods · Quantitative Biology 2024-11-28 Jiangbin Zheng , Qianhui Xu , Ruichen Xia , Stan Z. Li

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

Artificial intelligence (AI) is reshaping computational and network biology by enabling new approaches to decode cellular communication networks. We introduce Hierarchical Molecular Language Models (HMLMs), a novel framework that models…

Molecular Networks · Quantitative Biology 2025-12-16 Hasi Hays , Yue Yu , William J. Richardson

Proteins adopt multiple structural conformations to perform their diverse biological functions, and understanding these conformations is crucial for advancing drug discovery. Traditional physics-based simulation methods often struggle with…

Biomolecules · Quantitative Biology 2025-03-14 Jiarui Lu , Xiaoyin Chen , Stephen Zhewen Lu , Chence Shi , Hongyu Guo , Yoshua Bengio , Jian Tang

Transformers have significantly impacted domains like natural language processing, computer vision, and robotics, where they improve performance compared to other neural networks. This survey explores how transformers are used in…

Machine Learning · Computer Science 2023-07-13 Pranav Agarwal , Aamer Abdul Rahman , Pierre-Luc St-Charles , Simon J. D. Prince , Samira Ebrahimi Kahou

A central question in human immunology is how a patient's repertoire of T cells impacts disease. Here, we introduce a method to infer the causal effects of T cell receptor (TCR) sequences on patient outcomes using observational TCR…

Machine Learning · Statistics 2024-10-21 Eli N. Weinstein , Elizabeth B. Wood , David M. Blei