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Large language models applied to vast biological datasets have the potential to transform biology by uncovering disease mechanisms and accelerating drug development. However, current models are often siloed, trained separately on…

We introduce AMix-1, a powerful protein foundation model built on Bayesian Flow Networks and empowered by a systematic training methodology, encompassing pretraining scaling laws, emergent capability analysis, in-context learning mechanism,…

Protein interactions are important in a broad range of biological processes. Traditionally, computational methods have been developed to automatically predict protein interface from hand-crafted features. Recent approaches employ deep…

Machine Learning · Computer Science 2020-07-21 Yi Liu , Hao Yuan , Lei Cai , Shuiwang Ji

Recent advances in omni-modal large language models have enabled remarkable progress in joint vision-audio understanding. However, prevailing architectures rely on modality-specific encoders with a \emph{video-coarse, audio-dense} design --…

Computer Vision and Pattern Recognition · Computer Science 2026-05-05 Detao Bai , Shimin Yao , Weixuan Chen , Chengen Lai , Yuanming Li , Zhiheng Ma , Xihan Wei

Deep learning has been widely used for protein engineering. However, it is limited by the lack of sufficient experimental data to train an accurate model for predicting the functional fitness of high-order mutants. Here, we develop SESNet,…

Quantitative Methods · Quantitative Biology 2023-04-10 Mingchen Li , Liqi Kang , Yi Xiong , Yu Guang Wang , Guisheng Fan , Pan Tan , Liang Hong

Proteins are fundamental components of biological systems and can be represented through various modalities, including sequences, structures, and textual descriptions. Despite the advances in deep learning and scientific large language…

Machine Learning · Computer Science 2024-07-15 Zhiyuan Chen , Tianhao Chen , Chenggang Xie , Yang Xue , Xiaonan Zhang , Jingbo Zhou , Xiaomin Fang

Protein representation learning has advanced rapidly with the scale-up of sequence and structure supervision, but most models still encode proteins either as per-residue token sequences or as single global embeddings. This overlooks a…

Quantitative Methods · Quantitative Biology 2026-03-03 Robert Calef , Arthur Liang , Manolis Kellis , Marinka Zitnik

Without knowledge of specific pockets, generating ligands based on the global structure of a protein target plays a crucial role in drug discovery as it helps reduce the search space for potential drug-like candidates in the pipeline.…

Biomolecules · Quantitative Biology 2023-10-02 Nhat Khang Ngo , Truong Son Hy

We present a novel dual-head deep learning architecture for protein-protein interaction modeling that enables simultaneous prediction of binding affinity ($\Delta G$) and mutation-induced affinity changes ($\Delta\Delta G$) using only…

Quantitative Methods · Quantitative Biology 2025-09-30 Supantha Dey , Ratul Chowdhury

We propose UniT, a Unified Transformer model to simultaneously learn the most prominent tasks across different domains, ranging from object detection to natural language understanding and multimodal reasoning. Based on the transformer…

Computer Vision and Pattern Recognition · Computer Science 2021-08-19 Ronghang Hu , Amanpreet Singh

Representation learning for protein biochemical space faces a difficult trade-off: protein language models excel at capturing long-range biological semantics but often miss fine-grained chemical details. Conversely, chemical language models…

Biomolecules · Quantitative Biology 2026-03-03 Chunbin Gu , Zijun Gao , Mutian He , Jingjie Zhang , Haipeng Wen , Zihao Luo , Xiaorui Wang , Hanqun Cao , Jiajun Bu , Chang-Yu Hsieh , Pheng Ann Heng

The autonomous evolution of networked AI systems relies heavily on robust environmental perception. However, physical understanding remains brittle in current models because key physical signals are visually ambiguous and sparsely…

Computer Vision and Pattern Recognition · Computer Science 2026-04-08 Minghao Han , Dingkang Yang , Yue Jiang , Yizhou Liu , Lihua Zhang

Pre-trained conversation models (PCMs) have demonstrated remarkable results in task-oriented dialogue (TOD) systems. Many PCMs focus predominantly on dialogue management tasks like dialogue state tracking, dialogue generation tasks like…

Computation and Language · Computer Science 2023-12-29 Mingtao Yang , See-Kiong Ng , Jinlan Fu

Automated identification of protein conformational states from simulation of an ensemble of structures is a hard problem because it requires teaching a computer to recognize shapes. We adapt the naive Bayes classifier from the machine…

Computational Physics · Physics 2020-12-02 David M. Rogers

The increasing number of protein sequences decoded from genomes is opening up new avenues of research on linking protein sequence to function with transformer neural networks. Recent research has shown that the number of known protein…

Machine Learning · Computer Science 2022-06-23 Anowarul Kabir , Amarda Shehu

Protein modeling is an increasingly popular area of machine learning research. Semi-supervised learning has emerged as an important paradigm in protein modeling due to the high cost of acquiring supervised protein labels, but the current…

Machine Learning · Computer Science 2019-06-20 Roshan Rao , Nicholas Bhattacharya , Neil Thomas , Yan Duan , Xi Chen , John Canny , Pieter Abbeel , Yun S. Song

The rapid growth in biological sequence data is revolutionizing our understanding of genotypic diversity and challenging conventional approaches to informatics. With the increasing availability of genomic data, traditional bioinformatic…

Multi-modal data in Earth Observation (EO) presents a huge opportunity for improving transfer learning capabilities when pre-training deep learning models. Unlike prior work that often overlooks multi-modal EO data, recent methods have…

Computer Vision and Pattern Recognition · Computer Science 2025-05-22 Jose Sosa , Danila Rukhovich , Anis Kacem , Djamila Aouada

Transformer is a popularly used neural network architecture, especially for language understanding. We introduce an extended and unified architecture that can be used for tasks involving a variety of modalities like image, text, videos,…

Machine Learning · Computer Science 2020-07-06 Subhojeet Pramanik , Priyanka Agrawal , Aman Hussain

Translating potential disease biomarkers between multi-species 'omics' experiments is a new direction in biomedical research. The existing methods are limited to simple experimental setups such as basic healthy-diseased comparisons. Most of…

Machine Learning · Statistics 2010-12-16 Ilkka Huopaniemi , Tommi Suvitaival , Matej Orešič , Samuel Kaski