English
Related papers

Related papers: ProteinJEPA: Latent prediction complements protein…

200 papers

Protein function prediction is a pivotal task in drug discovery, significantly impacting the development of effective and safe therapeutics. Traditional machine learning models often struggle with the complexity and variability inherent in…

Machine Learning · Computer Science 2024-09-24 Bohao Xu , Yingzhou Lu , Yoshitaka Inoue , Namkyeong Lee , Tianfan Fu , Jintai Chen

Reward Models (RMs) are crucial to aligning large language models (LLMs), but the degree to which an RM specialized to one task (e.g. writing) generalizes to new tasks (e.g. math) is often not known a priori, often making using only one…

Computation and Language · Computer Science 2025-10-23 Duy Nguyen , Archiki Prasad , Elias Stengel-Eskin , Mohit Bansal

Machine learning has revolutionized polymer science by enabling rapid property prediction and generative design. Large language models (LLMs) offer further opportunities in polymer informatics by simplifying workflows that traditionally…

Computational Engineering, Finance, and Science · Computer Science 2026-02-20 Sonakshi Gupta , Akhlak Mahmood , Shivank Shukla , Rampi Ramprasad

Many common methods for learning a world model for pixel-based environments use generative architectures trained with pixel-level reconstruction objectives. Recently proposed Joint Embedding Predictive Architectures (JEPA) offer a…

Machine Learning · Computer Science 2022-11-22 Vlad Sobal , Jyothir S , Siddhartha Jalagam , Nicolas Carion , Kyunghyun Cho , Yann LeCun

Large language models (LLMs) achieve state-of-the-art accuracy on complex reasoning tasks by generating multiple chain-of-thought (CoT) traces, but using a fixed token budget per query leads to over-computation on easy inputs and…

Artificial Intelligence · Computer Science 2026-02-03 Katrina Brown , Aneesh Muppidi , Rana Shahout

Language representation learning has emerged as a promising approach for sequential recommendation, thanks to its ability to learn generalizable representations. However, despite its advantages, this approach still struggles with data…

Information Retrieval · Computer Science 2025-08-08 Minh-Anh Nguyen , Dung D. Le

Joint-Embedding Predictive Architectures (JEPAs) provide a simpleframework for learning world models by predicting future latent representations.However, JEPA training is subject to a bias-variance tradeoff.Without sufficient structural…

Machine Learning · Computer Science 2026-05-12 Kai Zhao , Dongliang Nie , Yuchen Lin , Zhehan Luo , Yixiao Gu , Deng-Ping Fan , Dan Zeng

Multimodal protein language models deliver strong performance on mutation-effect prediction, but training such models from scratch demands substantial computational resources. In this paper, we propose a fine-tuning framework called…

Quantitative Methods · Quantitative Biology 2026-02-02 Junde Xu , Yapin Shi , Lijun Lang , Taoyong Cui , Zhiming Zhang , Guangyong Chen , Jiezhong Qiu , Pheng-Ann Heng

Self-Supervised Learning (SSL) has shifted from pixel-level reconstruction to latent space prediction, spearheaded by the Joint Embedding Predictive Architecture (JEPA). While effective, standard JEPA models typically rely on a…

Machine Learning · Computer Science 2026-03-03 Yongchao Huang

Designing proteins with desired functions or properties represents a core goal in synthetic biology and drug discovery. Recent advances in protein language models (PLMs) have enabled the generation of highly designable protein sequences,…

Machine Learning · Computer Science 2026-05-12 Yulin Zhang , He Cao , Zihao Jiang , Chenyi Zi , Zhipeng Zhou , Zijing Liu , Yu Li , Jia Li , Ziqi Gao

Pre-trained language models in the past years have shown exponential growth in model parameters and compute time. ELECTRA is a novel approach for improving the compute efficiency of pre-trained language models (e.g. BERT) based on masked…

Computation and Language · Computer Science 2021-10-14 Junmo Kang , Suwon Shin , Jeonghwan Kim , Jaeyoung Jo , Sung-Hyon Myaeng

We propose a novel task-agnostic in-domain pre-training method that sits between generic pre-training and fine-tuning. Our approach selectively masks in-domain keywords, i.e., words that provide a compact representation of the target…

Computation and Language · Computer Science 2023-07-17 Shahriar Golchin , Mihai Surdeanu , Nazgol Tavabi , Ata Kiapour

For unsupervised pretraining, mask-reconstruction pretraining (MRP) approaches, e.g. MAE and data2vec, randomly mask input patches and then reconstruct the pixels or semantic features of these masked patches via an auto-encoder. Then for a…

Machine Learning · Computer Science 2023-02-14 Jiachun Pan , Pan Zhou , Shuicheng Yan

Protein representation learning has primarily benefited from the remarkable development of language models (LMs). Accordingly, pre-trained protein models also suffer from a problem in LMs: a lack of factual knowledge. The recent solution…

Machine Learning · Computer Science 2023-02-16 Hong-Yu Zhou , Yunxiang Fu , Zhicheng Zhang , Cheng Bian , Yizhou Yu

Recently, self-supervised representation learning relying on vast amounts of unlabeled data has been explored as a pre-training method for autonomous driving. However, directly applying popular contrastive or generative methods to this…

Robotics · Computer Science 2025-10-08 Haoran Zhu , Zhenyuan Dong , Kristi Topollai , Beiyao Sha , Anna Choromanska

Pretrained masked language models (MLMs) require finetuning for most NLP tasks. Instead, we evaluate MLMs out of the box via their pseudo-log-likelihood scores (PLLs), which are computed by masking tokens one by one. We show that PLLs…

Computation and Language · Computer Science 2021-01-05 Julian Salazar , Davis Liang , Toan Q. Nguyen , Katrin Kirchhoff

Protein language models (PLMs) face a fundamental divide: masked language models (MLMs) excel at fitness prediction while causal models enable generation, forcing practitioners to maintain separate architectures. We introduce…

Machine Learning · Computer Science 2026-02-03 Furkan Eris

Large language models (LLMs) are increasingly explored for their reasoning capabilities, yet their ability to perform structured, constraint-based optimization from natural language remains insufficiently understood. This study evaluates…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-18 Aasish Kumar Sharma , Julian Kunkel

Large language models are powerful but costly. We ask whether meta-learning can make the pretraining of small language models not only better but also more interpretable. We integrate first-order MAML with subset-masked LM pretraining,…

Computation and Language · Computer Science 2025-11-10 David Demitri Africa , Yuval Weiss , Paula Buttery , Richard Diehl Martinez

Protein structure prediction often hinges on multiple sequence alignments (MSAs), which underperform on low-homology and orphan proteins. We introduce PLAME, a lightweight MSA design framework that leverages evolutionary embeddings from…

Machine Learning · Computer Science 2025-09-29 Hanqun Cao , Xinyi Zhou , Zijun Gao , Chenyu Wang , Xin Gao , Zhi Zhang , Cesar de la Fuente-Nunez , Chunbin Gu , Ge Liu , Pheng-Ann Heng