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Related papers: Structure-Aligned Protein Language Model

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Graph-structured data is prevalent in the real world. Recently, due to the powerful emergent capabilities, Large Language Models (LLMs) have shown promising performance in modeling graphs. The key to effectively applying LLMs on graphs is…

Computation and Language · Computer Science 2024-10-16 Haitong Luo , Xuying Meng , Suhang Wang , Tianxiang Zhao , Fali Wang , Hanyun Cao , Yujun Zhang

Recently, decomposing complex problems into simple subtasks--a crucial part of human-like natural planning--to solve the given problem has significantly boosted the performance of large language models (LLMs). However, leveraging such…

Computation and Language · Computer Science 2025-07-11 Mihir Parmar , Palash Goyal , Xin Liu , Yiwen Song , Mingyang Ling , Chitta Baral , Hamid Palangi , Tomas Pfister

Data in biology is redundant, noisy, and sparse. How does the type and scale of available data impact model performance? In this work, we specifically investigate how protein language models (pLMs) scale with increasing pretraining data. We…

Quantitative Methods · Quantitative Biology 2025-07-31 Aviv Spinner , Erika DeBenedictis , Corey M. Hudson

Protein Language Models (PLMs), pre-trained on extensive evolutionary data from natural proteins, have emerged as indispensable tools for protein design. While powerful, PLMs often struggle to produce proteins with precisely specified…

Biomolecules · Quantitative Biology 2025-09-15 Long-Kai Huang , Rongyi Zhu , Bing He , Jianhua Yao

Conventional mechanical design follows an iterative process in which initial concepts are refined through cycles of expert assessment and resource-intensive Finite Element Method (FEM) analysis to meet performance goals. While machine…

Machine Learning · Computer Science 2025-05-02 Yayati Jadhav , Amir Barati Farimani

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

We introduce ProteinWorkshop, a comprehensive benchmark suite for representation learning on protein structures with Geometric Graph Neural Networks. We consider large-scale pre-training and downstream tasks on both experimental and…

While protein language models (PLMs) are one of the most promising avenues of research for future de novo protein design, the way in which they transform sequences to hidden representations, as well as the information encoded in such…

Machine Learning · Computer Science 2026-05-29 Kosio Beshkov , Anders Malthe-Sørenssen

Computational biology and bioinformatics provide vast data gold-mines from protein sequences, ideal for Language Models taken from NLP. These LMs reach for new prediction frontiers at low inference costs. Here, we trained two…

Understanding probabilistic dependencies among variables is central to analyzing complex systems. Traditional structure learning methods often require extensive observational data or are limited by manual, error-prone incorporation of…

Machine Learning · Computer Science 2026-02-24 Yinghuan Zhang , Yufei Zhang , Parisa Kordjamshidi , Zijun Cui

Language modeling studies the probability distributions over strings of texts. It is one of the most fundamental tasks in natural language processing (NLP). It has been widely used in text generation, speech recognition, machine…

Computation and Language · Computer Science 2024-07-18 Chengwei Wei , Yun-Cheng Wang , Bin Wang , C. -C. Jay Kuo

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

Current protein language models (PLMs) learn protein representations mainly based on their sequences, thereby well capturing co-evolutionary information, but they are unable to explicitly acquire protein functions, which is the end goal of…

Biomolecules · Quantitative Biology 2023-07-06 Minghao Xu , Xinyu Yuan , Santiago Miret , Jian Tang

In recent years, Large Language Models (LLMs) have emerged as a prominent area of interest across various research domains, including Process Mining (PM). Current applications in PM have predominantly centered on prompt engineering…

Computation and Language · Computer Science 2025-09-04 Rafael Seidi Oyamada , Jari Peeperkorn , Jochen De Weerdt , Johannes De Smedt

We present a joint Speech and Language Model (SLM), a multitask, multilingual, and dual-modal model that takes advantage of pretrained foundational speech and language models. SLM freezes the pretrained foundation models to maximally…

Foundational models with billions of parameters which have been trained on large corpora of data have demonstrated non-trivial skills in a variety of domains. However, due to their monolithic structure, it is challenging and expensive to…

State-of-the-art results in large language models (LLMs) often rely on scale, which becomes computationally expensive. This has sparked a research agenda to reduce these models' parameter counts and computational costs without significantly…

Computation and Language · Computer Science 2024-11-07 Xiuying Wei , Skander Moalla , Razvan Pascanu , Caglar Gulcehre

Using Large Language Models (LLMs) to process graph-structured data is an active research area, yet current state-of-the-art approaches typically rely on multi-step pipelines with Graph Neural Network (GNN) encoders that compress rich…

Machine Learning · Computer Science 2026-05-12 Dario Vajda

Proteins are fundamental to biology, executing diverse functions through complex physicochemical interactions, and they hold transformative potential across medicine, materials science, and environmental applications. Protein Language…

Biomolecules · Quantitative Biology 2025-06-11 Logan Hallee , Nikolaos Rafailidis , David B. Bichara , Jason P. Gleghorn

Prediction of ligand binding sites of proteins is a fundamental and important task for understanding the function of proteins and screening potential drugs. Most existing methods require experimentally determined protein holo-structures as…

Quantitative Methods · Quantitative Biology 2023-12-07 Shuo Zhang , Lei Xie