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Deep learning has transformed protein design, enabling accurate structure prediction, sequence optimization, and de novo protein generation. Advances in single-chain protein structure prediction via AlphaFold2, RoseTTAFold, ESMFold, and…

Machine Learning · Computer Science 2025-02-27 Gregory W. Kyro , Tianyin Qiu , Victor S. Batista

Leveraging multimodal information from biosignals is vital for building a comprehensive representation of people's physical and mental states. However, multimodal biosignals often exhibit substantial distributional shifts between…

Machine Learning · Computer Science 2024-04-22 Ran Liu , Ellen L. Zippi , Hadi Pouransari , Chris Sandino , Jingping Nie , Hanlin Goh , Erdrin Azemi , Ali Moin

Different aspects of a clinical sample can be revealed by multiple types of omics data. Integrated analysis of multi-omics data provides a comprehensive view of patients, which has the potential to facilitate more accurate clinical decision…

Machine Learning · Computer Science 2020-02-11 Xiaoyu Zhang , Jingqing Zhang , Kai Sun , Xian Yang , Chengliang Dai , Yike Guo

Self-supervised protein language models have proved their effectiveness in learning the proteins representations. With the increasing computational power, current protein language models pre-trained with millions of diverse sequences can…

Biomolecules · Quantitative Biology 2022-11-02 Ningyu Zhang , Zhen Bi , Xiaozhuan Liang , Siyuan Cheng , Haosen Hong , Shumin Deng , Jiazhang Lian , Qiang Zhang , Huajun Chen

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

Recent research on predicting the binding affinity between drug molecules and proteins use representations learned, through unsupervised learning techniques, from large databases of molecule SMILES and protein sequences. While these…

Single-cell multi-omics (scMulti-omics) refers to the paired multimodal data, such as Cellular Indexing of Transcriptomes and Epitopes by Sequencing (CITE-seq), where the regulation of each cell was measured from different modalities, i.e.…

Machine Learning · Computer Science 2024-10-18 Dian Meng , Bohao Xing , Xinlei Huang , Yanran Liu , Yijun Zhou , Yongjun xiao , Zitong Yu , Xubin Zheng

Pre-trained models have been successful in many protein engineering tasks. Most notably, sequence-based models have achieved state-of-the-art performance on protein fitness prediction while structure-based models have been used…

Machine Learning · Computer Science 2023-07-25 Antonia Boca , Simon Mathis

Research on multi-modal learning dominantly aligns the modalities in a unified space at training, and only a single one is taken for prediction at inference. However, for a real machine, e.g., a robot, sensors could be added or removed at…

Computer Vision and Pattern Recognition · Computer Science 2024-05-28 Yuanhuiyi Lyu , Xu Zheng , Dahun Kim , Lin Wang

Computational methods for predicting the interface contacts between proteins come highly sought after for drug discovery as they can significantly advance the accuracy of alternative approaches, such as protein-protein docking, protein…

Machine Learning · Computer Science 2022-03-08 Alex Morehead , Chen Chen , Jianlin Cheng

High-dimensional omics data contains intrinsic biomedical information that is crucial for personalised medicine. Nevertheless, it is challenging to capture them from the genome-wide data due to the large number of molecular features and…

Genomics · Quantitative Biology 2021-06-22 Xiaoyu Zhang , Yuting Xing , Kai Sun , Yike Guo

Predicting which proteins interact together from amino-acid sequences is an important task. We develop a method to pair interacting protein sequences which leverages the power of protein language models trained on multiple sequence…

Biomolecules · Quantitative Biology 2024-12-30 Umberto Lupo , Damiano Sgarbossa , Anne-Florence Bitbol

Motivation: One of the branches of Systems Biology is focused on a deep understanding of underlying regulatory networks through the analysis of the biomolecules oscillations and their interplay. Synthetic Biology exploits gene or/and…

Molecular Networks · Quantitative Biology 2020-11-30 Francesco Bardozzo , Pietro Liò , Roberto Tagliaferri

Deep learning has advanced mass spectrometry data interpretation, yet most models remain feature extractors rather than unified scoring frameworks. We present pUniFind, the first large-scale multimodal pre-trained model in proteomics that…

Modern machine learning systems rely on large datasets to attain broad generalization, and this often poses a challenge in robot learning, where each robotic platform and task might have only a small dataset. By training a single policy…

Robotics · Computer Science 2024-08-22 Ria Doshi , Homer Walke , Oier Mees , Sudeep Dasari , Sergey Levine

Deep learning techniques have driven significant progress in various analytical tasks within 3D genomics in computational biology. However, a holistic understanding of 3D genomics knowledge remains underexplored. Here, we propose MIX-HIC,…

Machine Learning · Computer Science 2025-10-29 Minghao Yang , Pengteng Li , Yan Liang , Qianyi Cai , Zhihang Zheng , Shichen Zhang , Pengfei Zhang , Zhi-An Huang , Hui Xiong

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

Developing large-scale foundational datasets is a critical milestone in advancing artificial intelligence (AI)-driven scientific innovation. However, unlike AI-mature fields such as natural language processing, materials science,…

Chemical Physics · Physics 2025-11-18 Ryo Yoshida , Yoshihiro Hayashi , Hidemine Furuya , Ryohei Hosoya , Kazuyoshi Kaneko , Hiroki Sugisawa , Yu Kaneko , Aiko Takahashi , Yoh Noguchi , Shun Nanjo , Keiko Shinoda , Tomu Hamakawa , Mitsuru Ohno , Takuya Kitamura , Misaki Yonekawa , Stephen Wu , Masato Ohnishi , Chang Liu , Teruki Tsurimoto , Arifin , Araki Wakiuchi , Kohei Noda , Junko Morikawa , Teruaki Hayakawa , Junichiro Shiomi , Masanobu Naito , Kazuya Shiratori , Tomoki Nagai , Norio Tomotsu , Hiroto Inoue , Ryuichi Sakashita , Masashi Ishii , Isao Kuwajima , Kenji Furuichi , Norihiko Hiroi , Yuki Takemoto , Takahiro Ohkuma , Keita Yamamoto , Naoya Kowatari , Masato Suzuki , Naoya Matsumoto , Seiryu Umetani , Hisaki Ikebata , Yasuyuki Shudo , Mayu Nagao , Shinya Kamada , Kazunori Kamio , Taichi Shomura , Kensaku Nakamura , Yudai Iwamizu , Atsutoshi Abe , Koki Yoshitomi , Yuki Horie , Katsuhiko Koike , Koichi Iwakabe , Shinya Gima , Kota Usui , Gikyo Usuki , Takuro Tsutsumi , Keitaro Matsuoka , Kazuki Sada , Masahiro Kitabata , Takuma Kikutsuji , Akitaka Kamauchi , Yusuke Iijima , Tsubasa Suzuki , Takenori Goda , Yuki Takabayashi , Kazuko Imai , Yuji Mochizuki , Hideo Doi , Koji Okuwaki , Hiroya Nitta , Taku Ozawa , Hitoshi Kamijima , Toshiaki Shintani , Takuma Mitamura , Massimiliano Zamengo , Yuitsu Sugami , Seiji Akiyama , Yoshinari Murakami , Atsushi Betto , Naoya Matsuo , Satoru Kagao , Tetsuya Kobayashi , Norie Matsubara , Shosei Kubo , Yuki Ishiyama , Yuri Ichioka , Mamoru Usami , Satoru Yoshizaki , Seigo Mizutani , Yosuke Hanawa , Shogo Kunieda , Mitsuru Yambe , Takeru Nakamura , Hiromori Murashima , Kenji Takahashi , Naoki Wada , Masahiro Kawano , Yosuke Harada , Takehiro Fujita , Erina Fujita , Ryoji Himeno , Hiori Kino , Kenji Fukumizu

Predicting microbial operon co-membership requires integrating two complementary biological signals: protein-scale molecular identity and genome-context organization. While recent biological foundation models provide powerful…

Machine Learning · Computer Science 2026-05-12 Seungik Cho

Brain computer interface (BCI) research, as well as increasing portions of the field of neuroscience, have found success deploying large-scale artificial intelligence (AI) pre-training methods in conjunction with vast public repositories of…

Neurons and Cognition · Quantitative Biology 2025-06-03 Mattson Ogg , Rahul Hingorani , Diego Luna , Griffin W. Milsap , William G. Coon , Clara A. Scholl