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Deep Learning models have shown remarkable performance in a broad range of vision tasks. However, they are often vulnerable against domain shifts at test-time. Test-time training (TTT) methods have been developed in an attempt to mitigate…

Computer Vision and Pattern Recognition · Computer Science 2023-10-20 Gustavo A. Vargas Hakim , David Osowiechi , Mehrdad Noori , Milad Cheraghalikhani , Ismail Ben Ayed , Christian Desrosiers

Large protein language models are adept at capturing the underlying evolutionary information in primary structures, offering significant practical value for protein engineering. Compared to natural language models, protein amino acid…

Computation and Language · Computer Science 2023-10-27 Yang Tan , Mingchen Li , Pan Tan , Ziyi Zhou , Huiqun Yu , Guisheng Fan , Liang Hong

Sequence generative models are transforming protein engineering. However, no principled framework exists for conditioning these models on auxiliary information, such as experimental data, without additional training of a generative model.…

Machine Learning · Computer Science 2026-01-19 Junhao Xiong , Ishan Gaur , Maria Lukarska , Hunter Nisonoff , Luke M. Oltrogge , David F. Savage , Jennifer Listgarten

Foundation models compress a large amount of information in a single, large neural network, which can then be queried for individual tasks. There are strong parallels between this widespread framework and offline goal-conditioned…

Machine Learning · Computer Science 2026-05-14 Marco Bagatella , Mert Albaba , Jonas Hübotter , Georg Martius , Andreas Krause

Multiple sequence alignments (MSAs) of proteins encode rich biological information and have been workhorses in bioinformatic methods for tasks like protein design and protein structure prediction for decades. Recent breakthroughs like…

In recent years, protein-text models have gained significant attention for their potential in protein generation and understanding. Current approaches focus on integrating protein-related knowledge into large language models through…

Computation and Language · Computer Science 2025-11-11 Juntong Wu , Zijing Liu , He Cao , Hao Li , Bin Feng , Zishan Shu , Ke Yu , Li Yuan , Yu Li

In recent years, machine learning has been proposed as a promising strategy to build accurate scoring functions for computational docking finalized to numerically empowered drug discovery. However, the latest studies have suggested that…

Quantitative Methods · Quantitative Biology 2023-02-17 F. Pellicani , D. Dal Ben , A. Perali , S. Pilati

The parallels between protein sequences and natural language in their sequential structures have inspired the application of large language models (LLMs) to protein understanding. Despite the success of LLMs in NLP, their effectiveness in…

Quantitative Methods · Quantitative Biology 2024-07-09 Yiqing Shen , Zan Chen , Michail Mamalakis , Luhan He , Haiyang Xia , Tianbin Li , Yanzhou Su , Junjun He , Yu Guang Wang

As a dominant paradigm, fine-tuning a pre-trained model on the target data is widely used in many deep learning applications, especially for small data sets. However, recent studies have empirically shown that training from scratch has the…

Computer Vision and Pattern Recognition · Computer Science 2022-05-27 Ziquan Liu , Yi Xu , Yuanhong Xu , Qi Qian , Hao Li , Xiangyang Ji , Antoni Chan , Rong Jin

Protein research is crucial in various fundamental disciplines, but understanding their intricate structure-function relationships remains challenging. Recent Large Language Models (LLMs) have made significant strides in comprehending…

Computational Engineering, Finance, and Science · Computer Science 2025-01-24 Chao Wang , Hehe Fan , Ruijie Quan , Yi Yang

Discovering mutations enhancing protein-protein interactions (PPIs) is critical for advancing biomedical research and developing improved therapeutics. While machine learning approaches have substantially advanced the field, they often…

Fully test-time adaptation (FTTA) adapts a model that is trained on a source domain to a target domain during the testing phase, where the two domains follow different distributions and source data is unavailable during the training phase.…

Artificial Intelligence · Computer Science 2023-12-15 Houcheng Su , Daixian Liu , Mengzhu Wang , Wei Wang

Generative machine learning models are increasingly being used to design novel proteins for therapeutic and biotechnological applications. However, the current methods mostly focus on the design of proteins with a fixed backbone structure,…

Biomolecules · Quantitative Biology 2025-03-04 Petr Kouba , Joan Planas-Iglesias , Jiri Damborsky , Jiri Sedlar , Stanislav Mazurenko , Josef Sivic

Learning meaningful protein representation is important for a variety of biological downstream tasks such as structure-based drug design. Having witnessed the success of protein sequence pretraining, pretraining for structural data which is…

Machine Learning · Computer Science 2023-02-23 Yufei Huang , Lirong Wu , Haitao Lin , Jiangbin Zheng , Ge Wang , Stan Z. Li

Although we have witnessed great success of pre-trained models in natural language processing (NLP) and computer vision (CV), limited progress has been made for general time series analysis. Unlike NLP and CV where a unified model can be…

Machine Learning · Computer Science 2023-10-17 Tian Zhou , PeiSong Niu , Xue Wang , Liang Sun , Rong Jin

Pre-trained vision-language models (e.g., CLIP) have shown promising zero-shot generalization in many downstream tasks with properly designed text prompts. Instead of relying on hand-engineered prompts, recent works learn prompts using the…

Computer Vision and Pattern Recognition · Computer Science 2022-09-16 Manli Shu , Weili Nie , De-An Huang , Zhiding Yu , Tom Goldstein , Anima Anandkumar , Chaowei Xiao

Augmentation is an effective alternative to utilize the small amount of labeled protein data. However, most of the existing work focuses on design-ing new architectures or pre-training tasks, and relatively little work has studied data…

Quantitative Methods · Quantitative Biology 2024-03-05 Rui Sun , Lirong Wu , Haitao Lin , Yufei Huang , Stan Z. Li

The static ``train then deploy" paradigm fundamentally limits Large Language Models (LLMs) from dynamically adapting their weights in response to continuous streams of new information inherent in real-world tasks. Test-Time Training (TTT)…

Machine Learning · Computer Science 2026-04-08 Guhao Feng , Shengjie Luo , Kai Hua , Ge Zhang , Di He , Wenhao Huang , Tianle Cai

Recent advances in Protein Language Models (PLMs) have transformed protein engineering, yet unlike their counterparts in Natural Language Processing (NLP), current PLMs exhibit a fundamental limitation: they excel in either Protein Language…

Computational Engineering, Finance, and Science · Computer Science 2025-09-16 Liuzhenghao Lv , Zongying Lin , Hao Li , Yuyang Liu , Jiaxi Cui , Calvin Yu-Chian Chen , Li Yuan , Yonghong Tian

We investigate the capability of a transformer pretrained on natural language to generalize to other modalities with minimal finetuning -- in particular, without finetuning of the self-attention and feedforward layers of the residual…

Machine Learning · Computer Science 2021-07-01 Kevin Lu , Aditya Grover , Pieter Abbeel , Igor Mordatch