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Large language models (LLMs) have shown strong ability in generating rich representations across domains such as natural language processing and generation, computer vision, and multimodal learning. However, their application in biomedical…

Genomics · Quantitative Biology 2025-09-30 Luxuan Zhang , Douglas Jiang , Qinglong Wang , Haoqi Sun , Feng Tian

Single-cell RNA sequencing (scRNA-seq) offers detailed insights into cellular heterogeneity. Recent advancements leverage single-cell large language models (scLLMs) for effective representation learning. These models focus exclusively on…

Machine Learning · Computer Science 2025-06-05 Yaorui Shi , Jiaqi Yang , Changhao Nai , Sihang Li , Junfeng Fang , Xiang Wang , Zhiyuan Liu , Yang Zhang

Learning robust representations to discriminate cell phenotypes based on microscopy images is important for drug discovery. Drug development efforts typically analyse thousands of cell images to screen for potential treatments. Early works…

Computer Vision and Pattern Recognition · Computer Science 2021-12-28 Alexis Perakis , Ali Gorji , Samriddhi Jain , Krishna Chaitanya , Simone Rizza , Ender Konukoglu

Recently, large language models (LLMs) have emerged as a groundbreaking technology and their unparalleled text generation capabilities have sparked interest in their application to the fundamental sentence representation learning task.…

Computation and Language · Computer Science 2024-05-20 Huiming Wang , Zhaodonghui Li , Liying Cheng , Soh De Wen , Lidong Bing

Large Language Models (LLMs) adapted via contrastive learning excel in general representation learning but struggle in vertical domains like chemistry and law, primarily due to a lack of domain-specific knowledge. This work identifies a…

Information Retrieval · Computer Science 2026-01-19 Xiaoyu Liang , Yuchen Peng , Jiale Luo , Wenhao Wang , Haoji Hu , Xincheng Zhou

While contrastive learning is proven to be an effective training strategy in computer vision, Natural Language Processing (NLP) is only recently adopting it as a self-supervised alternative to Masked Language Modeling (MLM) for improving…

Computation and Language · Computer Science 2021-09-16 Hooman Sedghamiz , Shivam Raval , Enrico Santus , Tuka Alhanai , Mohammad Ghassemi

Unsupervised cell type identification is crucial for uncovering and characterizing heterogeneous populations in single cell omics studies. Although a range of clustering methods have been developed, most focus exclusively on intrinsic…

Artificial Intelligence · Computer Science 2025-12-12 Liang Peng , Haopeng Liu , Yixuan Ye , Cheng Liu , Wenjun Shen , Si Wu , Hau-San Wong

Large language models (LLMs) have demonstrated remarkable advancements, primarily due to their capabilities in modeling the hidden relationships within text sequences. This innovation presents a unique opportunity in the field of life…

Genomics · Quantitative Biology 2024-12-25 Cong Li , Qingqing Long , Yuanchun Zhou , Meng Xiao

Despite exciting progress in causal language models, the expressiveness of the representations is largely limited due to poor discrimination ability. To remedy this issue, we present ContraCLM, a novel contrastive learning framework at both…

Large Language Models (LLMs) are powerful tools with profound societal impacts, yet their ability to generate responses to diverse and uncontrolled inputs leaves them vulnerable to adversarial attacks. While existing defenses often struggle…

Computation and Language · Computer Science 2025-12-30 Samuel Simko , Mrinmaya Sachan , Bernhard Schölkopf , Zhijing Jin

Recent studies have demonstrated the feasibility of modeling single-cell data as natural languages and the potential of leveraging powerful large language models (LLMs) for understanding cell biology. However, a comprehensive evaluation of…

Quantitative Methods · Quantitative Biology 2025-05-14 Fan Zhang , Tianyu Liu , Zhihong Zhu , Hao Wu , Haixin Wang , Donghao Zhou , Yefeng Zheng , Kun Wang , Xian Wu , Pheng-Ann Heng

Molecular Machine Learning (ML) bears promise for efficient molecule property prediction and drug discovery. However, labeled molecule data can be expensive and time-consuming to acquire. Due to the limited labeled data, it is a great…

Machine Learning · Computer Science 2022-04-01 Yuyang Wang , Jianren Wang , Zhonglin Cao , Amir Barati Farimani

Cell identification within the H&E slides is an essential prerequisite that can pave the way towards further pathology analyses including tissue classification, cancer grading, and phenotype prediction. However, performing such a task using…

Computer Vision and Pattern Recognition · Computer Science 2023-01-18 Ramin Nakhli , Amirali Darbandsari , Hossein Farahani , Ali Bashashati

Self-supervised sentence representation learning is the task of constructing an embedding space for sentences without relying on human annotation efforts. One straightforward approach is to finetune a pretrained language model (PLM) with a…

Single-cell RNA sequencing (scRNA-seq) enables researchers to analyze gene expression at single-cell level. One important task in scRNA-seq data analysis is unsupervised clustering, which helps identify distinct cell types, laying down the…

Genomics · Quantitative Biology 2023-12-29 Weikang Jiang , Jinxian Wang , Jihong Guan , Shuigeng Zhou

This paper presents SimCLR: a simple framework for contrastive learning of visual representations. We simplify recently proposed contrastive self-supervised learning algorithms without requiring specialized architectures or a memory bank.…

Machine Learning · Computer Science 2020-07-02 Ting Chen , Simon Kornblith , Mohammad Norouzi , Geoffrey Hinton

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

Self-supervised learning (SSL) is a method that learns the data representation by utilizing supervision inherent in the data. This learning method is in the spotlight in the drug field, lacking annotated data due to time-consuming and…

Biomolecules · Quantitative Biology 2022-08-19 Kisung Moon , Sunyoung Kwon

Goal-oriented de novo molecule design, namely generating molecules with specific property or substructure constraints, is a crucial yet challenging task in drug discovery. Existing methods, such as Bayesian optimization and reinforcement…

Computational Engineering, Finance, and Science · Computer Science 2025-02-28 Chuanliu Fan , Ziqiang Cao , Zicheng Ma , Nan Yu , Yimin Peng , Jun Zhang , Yiqin Gao , Guohong Fu

Computational prediction of the interaction of T cell receptors (TCRs) and their ligands is a grand challenge in immunology. Despite advances in high-throughput assays, specificity-labelled TCR data remains sparse. In other domains, the…

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