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Deciphering the function of unseen protein sequences is a fundamental challenge with broad scientific impact, yet most existing methods depend on task-specific adapters or large-scale supervised fine-tuning. We introduce the…

Machine Learning · Computer Science 2025-10-14 Xinhui Chen , Zuchao Li , Mengqi Gao , Yufeng Zhang , Chak Tou Leong , Haoyang Li , Jiaqi Chen

Large language models (LLMs) have recently been used as backbones for recommender systems. However, their performance often lags behind conventional methods in standard tasks like retrieval. We attribute this to a mismatch between LLMs'…

Information Retrieval · Computer Science 2024-04-02 Yuwei Cao , Nikhil Mehta , Xinyang Yi , Raghunandan Keshavan , Lukasz Heldt , Lichan Hong , Ed H. Chi , Maheswaran Sathiamoorthy

Structured representations, exemplified by Abstract Meaning Representation (AMR), have long been pivotal in computational linguistics. However, their role remains ambiguous in the Large Language Models (LLMs) era. Initial attempts to…

Computation and Language · Computer Science 2025-02-21 Jiahuan Zhang , Tianheng Wang , Hanqing Wu , Ziyi Huang , Yulong Wu , Dongbai Chen , Linfeng Song , Yue Zhang , Guozheng Rao , Kaicheng Yu

Large Language Models (LLMs) are distinguished by their massive parameter counts, which typically result in significant redundancy. This work introduces MaskLLM, a learnable pruning method that establishes Semi-structured (or ``N:M'')…

Artificial Intelligence · Computer Science 2024-12-10 Gongfan Fang , Hongxu Yin , Saurav Muralidharan , Greg Heinrich , Jeff Pool , Jan Kautz , Pavlo Molchanov , Xinchao Wang

The self-supervised objective of masking-and-predicting has led to promising performance gains on a variety of downstream tasks. However, while most approaches randomly mask tokens, there is strong intuition that deciding what to mask can…

We explore a framework for protein sequence representation learning that decomposes the task between manifold learning and distributional modelling. Specifically we present a Latent Space Diffusion architecture which combines a protein…

Machine Learning · Computer Science 2025-03-25 Eoin Quinn , Ghassene Jebali , Maxime Seince , Oliver Bent

Robots can adapt to user preferences by learning reward functions from demonstrations, but with limited data, reward models often overfit to spurious correlations and fail to generalize. This happens because demonstrations show robots how…

Robotics · Computer Science 2026-04-01 Minyoung Hwang , Alexandra Forsey-Smerek , Nathaniel Dennler , Andreea Bobu

Effective protein representation learning is crucial for predicting protein functions. Traditional methods often pretrain protein language models on large, unlabeled amino acid sequences, followed by finetuning on labeled data. While…

Biomolecules · Quantitative Biology 2024-09-05 Jiangbin Zheng , Stan Z. Li

As the deep learning revolution marches on, self-supervised learning has garnered increasing attention in recent years thanks to its remarkable representation learning ability and the low dependence on labeled data. Among these varied…

Computer Vision and Pattern Recognition · Computer Science 2024-01-10 Siyuan Li , Luyuan Zhang , Zedong Wang , Di Wu , Lirong Wu , Zicheng Liu , Jun Xia , Cheng Tan , Yang Liu , Baigui Sun , Stan Z. Li

Artificial Intelligence models have demonstrated significant success in diagnosing skin diseases, including cancer, showing the potential to assist clinicians in their analysis. However, the interpretability of model predictions must be…

Computer Vision and Pattern Recognition · Computer Science 2025-08-29 Max Torop , Masih Eskandar , Nicholas Kurtansky , Jinyang Liu , Jochen Weber , Octavia Camps , Veronica Rotemberg , Jennifer Dy , Kivanc Kose

Molecular dynamics (MD) is a powerful approach for modelling molecular systems, but it remains computationally intensive on spatial and time scales of many macromolecular systems of biological interest. To explore the opportunities offered…

Biomolecules · Quantitative Biology 2025-08-07 Mhd Hussein Murtada , Z. Faidon Brotzakis , Michele Vendruscolo

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 representation learning is critical for numerous biological tasks. Recently, large transformer-based protein language models (pLMs) pretrained on large scale protein sequences have demonstrated significant success in sequence-based…

Machine Learning · Computer Science 2025-08-12 Xuefeng Liu , Songhao Jiang , Chih-chan Tien , Jinbo Xu , Rick Stevens

While Multimodal Large Language Models (MLLMs) demonstrate impressive capabilities, their substantial computational and memory requirements pose significant barriers to practical deployment. Current parameter reduction techniques primarily…

Computation and Language · Computer Science 2025-07-29 Yiran Huang , Lukas Thede , Massimiliano Mancini , Wenjia Xu , Zeynep Akata

We introduce a novel continued pre-training method, MELT (MatEriaLs-aware continued pre-Training), specifically designed to efficiently adapt the pre-trained language models (PLMs) for materials science. Unlike previous adaptation…

Computation and Language · Computer Science 2024-10-22 Junho Kim , Yeachan Kim , Jun-Hyung Park , Yerim Oh , Suho Kim , SangKeun Lee

We propose to pre-train a unified language model for both autoencoding and partially autoregressive language modeling tasks using a novel training procedure, referred to as a pseudo-masked language model (PMLM). Given an input text with…

Computation and Language · Computer Science 2020-03-02 Hangbo Bao , Li Dong , Furu Wei , Wenhui Wang , Nan Yang , Xiaodong Liu , Yu Wang , Songhao Piao , Jianfeng Gao , Ming Zhou , Hsiao-Wuen Hon

Despite the increasing prevalence of large language models (LLMs), we still have a limited understanding of how their representational spaces are structured. This limits our ability to interpret how and what they learn or relate them to…

Adapting language models (LMs) to novel domains is often achieved through fine-tuning a pre-trained LM (PLM) on domain-specific data. Fine-tuning introduces new knowledge into an LM, enabling it to comprehend and efficiently perform a…

Computation and Language · Computer Science 2024-03-29 Micheal Abaho , Danushka Bollegala , Gary Leeming , Dan Joyce , Iain E Buchan

The advancement of Large Language Models (LLMs) for domain applications in fields such as materials science and engineering depends on the development of fine-tuning strategies that adapt models for specialized, technical capabilities. In…

Computation and Language · Computer Science 2024-09-06 Wei Lu , Rachel K. Luu , Markus J. Buehler

Deep learning models have achieved remarkable success in computer vision but still rely heavily on large-scale labeled data and tend to overfit when data is limited or distributions shift. Data augmentation -- particularly mask-based…

Computer Vision and Pattern Recognition · Computer Science 2026-01-16 Shuyin Xia , Fan Chen , Dawei Dai , Meng Yang , Junwei Han , Xinbo Gao , Guoyin Wang