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Enzyme engineering enables the modification of wild-type proteins to meet industrial and research demands by enhancing catalytic activity, stability, binding affinities, and other properties. The emergence of deep learning methods for…

Computation and Language · Computer Science 2024-10-29 Yang Tan , Ruilin Wang , Banghao Wu , Liang Hong , Bingxin Zhou

In recent years, machine learning has been extensively applied to data prediction during process ramp-up, with a particular focus on transistor characteristics for circuit design and manufacture. However, capturing the nonlinear current…

Machine Learning · Computer Science 2025-05-20 Zhenxing Dou , Yijiao Wang , Tao Zou , Zhiwei Chen , Fei Liu , Peng Wang , Weisheng Zhao

Stabilizing proteins is a foundational step in protein engineering. However, the evolutionary pressure of all extant proteins makes identifying the scarce number of mutations that will improve thermodynamic stability challenging. Deep…

Biomolecules · Quantitative Biology 2023-11-01 Jeffrey Ouyang-Zhang , Daniel J. Diaz , Adam R. Klivans , Philipp Krähenbühl

Proteins are inherently multiscale physical systems whose functional properties emerge from coordinated structural organization across multiple spatial resolutions, ranging from atomic interactions to global fold topology. However, existing…

Machine Learning · Computer Science 2026-05-13 Viet Thanh Duy Nguyen , John K. Johnstone , Truong-Son Hy

Accurately predicting protein fitness with minimal experimental data is a persistent challenge in protein engineering. We introduce PRIMO (PRotein In-context Mutation Oracle), a transformer-based framework that leverages in-context learning…

Biomolecules · Quantitative Biology 2025-12-03 Felix Teufel , Aaron W. Kollasch , Yining Huang , Ole Winther , Kevin K. Yang , Pascal Notin , Debora S. Marks

The development of autonomous tool-use agents for complex, long-horizon tasks in collaboration with human users has become the frontier of agentic research. During multi-turn Human-AI interactions, the dynamic and uncertain nature of user…

Artificial Intelligence · Computer Science 2026-04-10 Prince Zizhuang Wang , Shuli Jiang

Imitation learning has shown great potential for enabling robots to acquire complex manipulation behaviors. However, these algorithms suffer from high sample complexity in long-horizon tasks, where compounding errors accumulate over the…

Robotics · Computer Science 2024-08-20 Tian Gao , Soroush Nasiriany , Huihan Liu , Quantao Yang , Yuke Zhu

Multimodal self-supervised pretraining offers a promising route to cancer prognosis by integrating histopathology whole-slide images, gene expression, and pathology reports, yet most existing approaches require fully paired and complete…

Machine Learning · Computer Science 2026-04-08 Kai Yu , Shuang Zhou , Yiran Song , Zaifu Zhan , Jie Peng , Kaixiong Zhou , Tianlong Chen , Feng Xie , Meng Wang , Huazhu Fu , Mingquan Lin , Rui Zhang

Protein activity is a significant characteristic for recombinant proteins which can be used as biocatalysts. High activity of proteins reduces the cost of biocatalysts. A model that can predict protein activity from amino acid sequence is…

Quantitative Methods · Quantitative Biology 2018-07-23 X. Han , X. Wang , K. Zhou

Predicting protein stability changes induced by single-point mutations has been a persistent challenge over the years, attracting immense interest from numerous researchers. The ability to precisely predict protein thermostability is…

Biomolecules · Quantitative Biology 2023-12-08 Yijie Zhang , Zhangyang Gao , Cheng Tan , Stan Z. Li

Proteins are traditionally optimized through the costly construction and measurement of many mutants. Active Learning-assisted Directed Evolution (ALDE) alleviates that cost by predicting the best improvements and iteratively testing…

We introduce TemPL, a novel deep learning approach for zero-shot prediction of protein stability and activity, harnessing temperature-guided language modeling. By assembling an extensive dataset of 96 million sequence-host bacterial strain…

Quantitative Methods · Quantitative Biology 2024-05-14 Pan Tan , Mingchen Li , Liang Zhang , Zhiqiang Hu , Liang Hong

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

Pre-trained protein language models have demonstrated significant applicability in different protein engineering task. A general usage of these pre-trained transformer models latent representation is to use a mean pool across residue…

While model-based verifiers are essential for scaling Reinforcement Learning with Verifiable Rewards (RLVR), current outcome-centric verification paradigms primarily focus on the consistency between the final result and the ground truth,…

Computation and Language · Computer Science 2026-02-13 Xiangfeng Wang , Hangyu Guo , Yanlin Lai , Mitt Huang , Liang Zhao , Chengyuan Yao , Yinmin Zhang , Qi Han , Xiaoxiao Ren , Chun Yuan , Tong Xu , Zheng Ge , Xiangyu Zhang , Daxin Jiang

Recently, deep learning models have shown the potential to predict breast cancer risk and enable targeted screening strategies, but current models do not consider the change in the breast over time. In this paper, we present a new method,…

Computer Vision and Pattern Recognition · Computer Science 2023-08-29 Hyeonsoo Lee , Junha Kim , Eunkyung Park , Minjeong Kim , Taesoo Kim , Thijs Kooi

Accurately modeling the protein fitness landscapes holds great importance for protein engineering. Recently, due to their capacity and representation ability, pre-trained protein language models have achieved state-of-the-art performance in…

Biomolecules · Quantitative Biology 2024-02-06 Ziyi Zhou , Liang Zhang , Yuanxi Yu , Mingchen Li , Liang Hong , Pan Tan

Protein mutations can have profound effects on biological function, making accurate prediction of property changes critical for drug discovery, protein engineering, and precision medicine. Current approaches rely on fine-tuning…

Machine Learning · Computer Science 2025-10-27 Srivathsan Badrinarayanan , Yue Su , Janghoon Ock , Alan Pham , Sanya Ahuja , Amir Barati Farimani

Pre-trained protein models (PTPMs) represent a protein with one fixed embedding and thus are not capable for diverse tasks. For example, protein structures can shift, namely protein folding, between several conformations in various…

Artificial Intelligence · Computer Science 2022-02-08 Qiang Zhang , Zeyuan Wang , Yuqiang Han , Haoran Yu , Xurui Jin , Huajun Chen

Generative modeling for protein engineering is key to solving fundamental problems in synthetic biology, medicine, and material science. We pose protein engineering as an unsupervised sequence generation problem in order to leverage the…

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