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Developing expressive and responsive conversational digital humans is a cornerstone of next-generation human-computer interaction. While large language models (LLMs) have significantly enhanced dialogue capabilities, most current systems…

Machine Learning · Computer Science 2026-02-06 Xiaolin Hu , Hang Yuan , Xinzhu Sang , Binbin Yan , Zhou Yu , Cong Huang , Kai Chen

Speech-to-Speech (S2S) Large Language Models (LLMs) are foundational to natural human-computer interaction, enabling end-to-end spoken dialogue systems. However, evaluating these models remains a fundamental challenge. We propose…

Computation and Language · Computer Science 2025-11-11 Yuan Ge , Junxiang Zhang , Xiaoqian Liu , Bei Li , Xiangnan Ma , Chenglong Wang , Kaiyang Ye , Yangfan Du , Linfeng Zhang , Yuxin Huang , Tong Xiao , Zhengtao Yu , JingBo Zhu

Optimizing combinatorial structures is core to many real-world problems, such as those encountered in life sciences. For example, one of the crucial steps involved in antibody design is to find an arrangement of amino acids in a protein…

Proteins are fundamental biological entities that play a key role in life activities. The amino acid sequences of proteins can be folded into stable 3D structures in the real physicochemical world, forming a special kind of…

Machine Learning · Computer Science 2023-01-04 Lirong Wu , Yufei Huang , Haitao Lin , Stan Z. Li

The task of long-term action anticipation demands solutions that can effectively model temporal dynamics over extended periods while deeply understanding the inherent semantics of actions. Traditional approaches, which primarily rely on…

Computer Vision and Pattern Recognition · Computer Science 2025-01-03 Binglu Wang , Yao Tian , Shunzhou Wang , Le Yang

Recent advancements in Large Language Models (LLMs)-based text embedding models primarily focus on data scaling or synthesis, yet limited exploration of training techniques and data quality, thereby constraining performance. In this work,…

Self-supervised learning (SSL) has recently achieved promising performance for 3D medical image analysis tasks. Most current methods follow existing SSL paradigm originally designed for photographic or natural images, which cannot…

Computer Vision and Pattern Recognition · Computer Science 2023-08-21 Yankai Jiang , Mingze Sun , Heng Guo , Xiaoyu Bai , Ke Yan , Le Lu , Minfeng Xu

Antibody binding site prediction plays a pivotal role in computational immunology and therapeutic antibody design. Existing sequence or structure methods rely on single-view features and fail to identify antibody-specific binding sites on…

Machine Learning · Computer Science 2025-09-12 Hongzong Li , Jiahao Ma , Zhanpeng Shi , Rui Xiao , Fanming Jin , Ye-Fan Hu , Hangjun Che , Jian-Dong Huang

Antibodies are proteins produced by the immune system that can identify and neutralise a wide variety of antigens with high specificity and affinity, and constitute the most successful class of biotherapeutics. With the advent of…

Biomolecules · Quantitative Biology 2024-03-27 Henry Kenlay , Frédéric A. Dreyer , Aleksandr Kovaltsuk , Dom Miketa , Douglas Pires , Charlotte M. Deane

Messenger RNA (mRNA) plays a crucial role in protein synthesis, with its codon structure directly impacting biological properties. While Language Models (LMs) have shown promise in analyzing biological sequences, existing approaches fail to…

Machine Learning · Computer Science 2025-03-13 Mehdi Yazdani-Jahromi , Mangal Prakash , Tommaso Mansi , Artem Moskalev , Rui Liao

Protein language models (PLMs) learn contextual representations from protein sequences and are profoundly impacting various scientific disciplines spanning protein design, drug discovery, and structural predictions. One particular research…

Quantitative Methods · Quantitative Biology 2024-02-07 Andreas Dounas , Tudor-Stefan Cotet , Alexander Yermanos

Protein is linked to almost every life process. Therefore, analyzing the biological structure and property of protein sequences is critical to the exploration of life, as well as disease detection and drug discovery. Traditional protein…

Machine Learning · Computer Science 2021-12-08 Yijia Xiao , Jiezhong Qiu , Ziang Li , Chang-Yu Hsieh , Jie Tang

Foundation models have transformed vision and language by learning general-purpose representations from large-scale unlabeled data, yet 3D medical imaging lacks analogous approaches. Existing self-supervised methods rely on low-level…

Computer Vision and Pattern Recognition · Computer Science 2026-03-17 Yunhe Gao , Yabin Zhang , Chong Wang , Jiaming Liu , Maya Varma , Jean-Benoit Delbrouck , Akshay Chaudhari , Curtis Langlotz

Understanding protein sequences is vital and urgent for biology, healthcare, and medicine. Labeling approaches are expensive yet time-consuming, while the amount of unlabeled data is increasing quite faster than that of the labeled data due…

Computation and Language · Computer Science 2021-11-01 Liang He , Shizhuo Zhang , Lijun Wu , Huanhuan Xia , Fusong Ju , He Zhang , Siyuan Liu , Yingce Xia , Jianwei Zhu , Pan Deng , Bin Shao , Tao Qin , Tie-Yan Liu

This paper introduces diffusion protein language model (DPLM), a versatile protein language model that demonstrates strong generative and predictive capabilities for protein sequences. We first pre-train scalable DPLMs from…

Machine Learning · Computer Science 2024-10-17 Xinyou Wang , Zaixiang Zheng , Fei Ye , Dongyu Xue , Shujian Huang , Quanquan Gu

Models based on machine learning can enable accurate and fast molecular property predictions, which is of interest in drug discovery and material design. Various supervised machine learning models have demonstrated promising performance,…

Machine Learning · Computer Science 2022-12-15 Jerret Ross , Brian Belgodere , Vijil Chenthamarakshan , Inkit Padhi , Youssef Mroueh , Payel Das

Recently, Large Language Models (LLMs) have demonstrated great potential in natural language-driven molecule discovery. However, existing datasets and benchmarks for molecule-text alignment are predominantly built on one-to-one mappings,…

Computation and Language · Computer Science 2026-05-25 Jiatong Li , Junxian Li , Weida Wang , Yunqing Liu , Changmeng Zheng , Yatao Bian , Dongzhan Zhou , Xiao-yong Wei , Qing Li

The design and optimization of antibodies requires an intricate balance across multiple properties. Protein inverse folding models, capable of generating diverse sequences folding into the same structure, are promising tools for maintaining…

The goal of protein representation learning is to extract knowledge from protein databases that can be applied to various protein-related downstream tasks. Although protein sequence, structure, and function are the three key modalities for…

Biomolecules · Quantitative Biology 2024-05-14 Eunji Ko , Seul Lee , Minseon Kim , Dongki Kim

We introduce Similarity-Distance-Magnitude (SDM) language models (LMs), which are sequence prediction models fine-tuned to maximize the proportion of generations in the well-calibrated, high-probability region partitioned by a final-layer…

Computation and Language · Computer Science 2025-10-31 Allen Schmaltz