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In-context learning (ICL) is one of the most powerful and most unexpected capabilities to emerge in recent transformer-based large language models (LLMs). Yet the mechanisms that underlie it are poorly understood. In this paper, we…

Deep learning has been a prevalence in computational chemistry and widely implemented in molecule property predictions. Recently, self-supervised learning (SSL), especially contrastive learning (CL), gathers growing attention for the…

Machine Learning · Computer Science 2022-06-01 Yuyang Wang , Rishikesh Magar , Chen Liang , Amir Barati Farimani

Therapeutic antibody development has become an increasingly popular approach for drug development. To date, antibody therapeutics are largely developed using large scale experimental screens of antibody libraries containing hundreds of…

Quantitative Methods · Quantitative Biology 2022-10-07 Lin Li , Esther Gupta , John Spaeth , Leslie Shing , Tristan Bepler , Rajmonda Sulo Caceres

The VHHs are antigen-binding region/domain of camelid heavy chain antibodies (HCAb). They have many interesting biotechnological and biomedical properties due to their small size, high solubility and stability, and high affinity and…

Quantitative Methods · Quantitative Biology 2016-10-06 Floriane Noël , Alain Malpertuy , Alexandre De Brevern

With the release of increasing open-source emotion recognition datasets on social media platforms and the rapid development of computing resources, multimodal emotion recognition tasks (MER) have begun to receive widespread research…

Computation and Language · Computer Science 2024-09-04 Yuntao Shou , Tao Meng , Wei Ai , Nan Yin , Keqin Li

Most deep-learning-based continuous sign language recognition (CSLR) models share a similar backbone consisting of a visual module, a sequential module, and an alignment module. However, due to limited training samples, a connectionist…

Computer Vision and Pattern Recognition · Computer Science 2024-01-12 Ronglai Zuo , Brian Mak

A central challenge in developing Multimodal Large Language Models (MLLMs) is effectively integrating heterogeneous inputs into a cohesive reasoning engine. Current paradigms predominantly rely on modular architectures that introduce…

Genomics · Quantitative Biology 2026-05-12 Yanan Li , Christina Yi Jin , Yuan Jin , Manli Luo , Tie Xu , Shuai Jiao , Wei He , Qing Zhang

Large Language Models (LLMs) have significantly advanced molecular discovery, but existing multimodal molecular architectures fundamentally rely on autoregressive (AR) backbones. This strict left-to-right inductive bias is sub-optimal for…

Artificial Intelligence · Computer Science 2026-04-08 Seohyeon Shin , HanJun Choi , Jun-Hyung Park , Hong Kook Kim , Mansu Kim

Generalized Category Discovery (GCD) is a crucial task that aims to recognize both known and novel categories from a set of unlabeled data by utilizing a few labeled data with only known categories. Due to the lack of supervision and…

Computation and Language · Computer Science 2024-05-28 Wenbin An , Wenkai Shi , Feng Tian , Haonan Lin , QianYing Wang , Yaqiang Wu , Mingxiang Cai , Luyan Wang , Yan Chen , Haiping Zhu , Ping Chen

Multimodal protein language models (PLMs) integrate sequence and token-based structural information, serving as a powerful foundation for protein modeling, generation, and design. However, the reliance on tokenizing 3D structures into…

Machine Learning · Computer Science 2025-06-13 Cheng-Yen Hsieh , Xinyou Wang , Daiheng Zhang , Dongyu Xue , Fei Ye , Shujian Huang , Zaixiang Zheng , Quanquan Gu

While deep learning models play a crucial role in predicting antibody-antigen interactions (AAI), the scarcity of publicly available sequence-structure pairings constrains their generalization. Current AAI methods often focus on…

Machine Learning · Computer Science 2025-03-25 Peijin Guo , Minghui Li , Hewen Pan , Ruixiang Huang , Lulu Xue , Shengqing Hu , Zikang Guo , Wei Wan , Shengshan Hu

Predicting the binding affinity between antigens and antibodies is fundamental to drug discovery and vaccine development. Traditional computational approaches often rely on experimentally determined 3D structures, which are scarce and…

Machine Learning · Computer Science 2025-12-29 Aicha Boutorh , Soumia Bouyahiaoui , Sara Belhadj , Nour El Yakine Guendouz , Manel Kara Laouar

Large language models (LLMs) excel at a range of tasks through in-context learning (ICL), where only a few task examples guide their predictions. However, prior research highlights that LLMs often overlook input-label mapping information in…

Computation and Language · Computer Science 2025-06-10 Keqin Peng , Liang Ding , Yuanxin Ouyang , Meng Fang , Yancheng Yuan , Dacheng Tao

Protein-protein interactions (PPIs) are fundamental to numerous cellular processes, and their characterization is vital for understanding disease mechanisms and guiding drug discovery. While protein language models (PLMs) have demonstrated…

Large Language Models (LLMs) exhibit In-Context Learning (ICL), which enables the model to perform new tasks conditioning only on the examples provided in the context without updating the model's weights. While ICL offers fast adaptation…

Thyroid nodule classification aims at determining whether the nodule is benign or malignant based on a given ultrasound image. However, the label obtained by the cytological biopsy which is the golden standard in clinical medicine is not…

Computer Vision and Pattern Recognition · Computer Science 2022-07-05 Haifan Gong , Hui Cheng , Yifan Xie , Shuangyi Tan , Guanqi Chen , Fei Chen , Guanbin Li

Discrete tokenizers have emerged as indispensable components in modern machine learning systems, particularly within the context of autoregressive modeling and large language models (LLMs). These tokenizers serve as the critical interface…

Information Retrieval · Computer Science 2025-02-19 Jian Jia , Jingtong Gao , Ben Xue , Junhao Wang , Qingpeng Cai , Quan Chen , Xiangyu Zhao , Peng Jiang , Kun Gai

We introduce CoT-ICL Lab, a framework and methodology to generate synthetic tokenized datasets and systematically study chain-of-thought (CoT) in-context learning (ICL) in language models. CoT-ICL Lab allows fine grained control over the…

Computation and Language · Computer Science 2025-05-23 Vignesh Kothapalli , Hamed Firooz , Maziar Sanjabi

Epitope identification is vital for antibody design yet challenging due to the inherent variability in antibodies. While many deep learning methods have been developed for general protein binding site prediction tasks, whether they work for…

Machine Learning · Computer Science 2024-11-11 Chunan Liu , Lilian Denzler , Yihong Chen , Andrew Martin , Brooks Paige

Searching for local sequence patterns is one of the basic tasks in bioinformatics. Sequence patterns might have structural, functional or some other relevance, and numerous methods have been developed to detect and analyze them. These…

Quantitative Methods · Quantitative Biology 2018-08-01 Braslav Rabar , Strahil Ristov , Maja Zagorščak , Martin Rosenzweig , Pavle Goldstein
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