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Parameter-efficient fine-tuning (PEFT) has become a popular way to adapt large pre-trained models to new tasks. Most PEFT methods update only a small subset of parameters while freezing the rest, avoiding redundant computation. As they…

Machine Learning · Computer Science 2025-08-25 Sungmin Kang , Jisoo Kim , Salman Avestimehr , Sunwoo Lee

We address protein structure prediction in the 3D Hydrophobic-Polar lattice model through two novel deep learning architectures. For proteins under 36 residues, our hybrid reservoir-based model combines fixed random projections with…

Machine Learning · Computer Science 2024-12-31 Giovanny Espitia , Yui Tik Pang , James C. Gumbart

The large models, as predicted by scaling raw forecasts, have made groundbreaking progress in many fields, particularly in natural language generation tasks, where they have approached or even surpassed human levels. However, the…

Computation and Language · Computer Science 2025-04-25 Luping Wang , Sheng Chen , Linnan Jiang , Shu Pan , Runze Cai , Sen Yang , Fei Yang

The popularity of pre-trained large models has revolutionized downstream tasks across diverse fields, such as language, vision, and multi-modality. To minimize the adaption cost for downstream tasks, many Parameter-Efficient Fine-Tuning…

Computer Vision and Pattern Recognition · Computer Science 2024-10-22 Yiwen Tang , Ray Zhang , Zoey Guo , Dong Wang , Zhigang Wang , Bin Zhao , Xuelong Li

Among the unsolved problems in computational biology, protein folding is one of the most interesting challenges. To study this folding, tools like neural networks and genetic algorithms have received a lot of attention, mainly due to the…

Biomolecules · Quantitative Biology 2016-08-23 Jacques M. Bahi , Nathalie Côté , Christophe Guyeux , Michel Salomon

Introduction: The extracellular matrix (ECM) is a networkof proteins and carbohydrates that has a structural and bio-chemical function. The ECM plays an important role in dif-ferentiation, migration and signaling. Several studies…

Quantitative Methods · Quantitative Biology 2022-02-17 Mohamed Ghafoor , Anh Nguyen

A reliable prediction of 3D protein structures from sequence data remains a big challenge due to both theoretical and computational difficulties. We have previously shown that our kinetostatic compliance method (KCM) implemented into the…

Computational Engineering, Finance, and Science · Computer Science 2017-12-27 Pouya Tavousi , Morad Behandish , Horea T. Ilies , Kazem Kazerounian

Despite recent breakthroughs in understanding how protein sequence relates to structure and function, considerably less attention has been paid to the general features of protein surfaces beyond those regions involved in binding and…

Biomolecules · Quantitative Biology 2024-07-26 John M. McBride , Aleksei Koshevarnikov , Marta Siek , Bartosz A. Grzybowski , Tsvi Tlusty

Earth observation (EO) is crucial for monitoring environmental changes, responding to disasters, and managing natural resources. In this context, foundation models facilitate remote sensing image analysis to retrieve relevant geoinformation…

Computer Vision and Pattern Recognition · Computer Science 2025-06-16 Francesc Marti-Escofet , Benedikt Blumenstiel , Linus Scheibenreif , Paolo Fraccaro , Konrad Schindler

Designing novel functional proteins crucially depends on accurately modeling their fitness landscape. Given the limited availability of functional annotations from wet-lab experiments, previous methods have primarily relied on…

Machine Learning · Computer Science 2024-12-03 Zuobai Zhang , Pascal Notin , Yining Huang , Aurélie Lozano , Vijil Chenthamarakshan , Debora Marks , Payel Das , Jian Tang

MOTIVATION: Proteins fold into complex structures that are crucial for their biological functions. Experimental determination of protein structures is costly and therefore limited to a small fraction of all known proteins. Hence, different…

Biomolecules · Quantitative Biology 2018-04-18 David Menéndez Hurtado , Karolis Uziela , Arne Elofsson

Systematic identification of protein function is a key problem in current biology. Most traditional methods fail to identify functionally equivalent proteins if they lack similar sequences, structural data or extensive manual annotations.…

Genomics · Quantitative Biology 2016-03-08 Dan Ofer

Foundation models pre-trained on large-scale data have been widely witnessed to achieve success in various natural imaging downstream tasks. Parameter-efficient fine-tuning (PEFT) methods aim to adapt foundation models to new domains by…

Computer Vision and Pattern Recognition · Computer Science 2025-03-24 Wenqiang Zu , Shenghao Xie , Qing Zhao , Guoqi Li , Lei Ma

We present a coarse-grained lattice model to study the influence of water on the recognition process of two rigid proteins. The basic model is formulated in terms of the hydrophobic effect. We then investigate several modifications of our…

Biological Physics · Physics 2015-05-13 Johannes Taktikos , Hans Behringer

Mass spectrometry is the dominant technology in the field of proteomics, enabling high-throughput analysis of the protein content of complex biological samples. Due to the complexity of the instrumentation and resulting data, sophisticated…

Protein Structure Prediction (PSP) is an unsolved problem in the field of computational biology. The problem of protein structure prediction is about predicting the native conformation of a protein, while its sequence of amino acids is…

Biomolecules · Quantitative Biology 2022-06-06 Hossein Parineh , Nasser Mozayani

The question of whether proteins originate from random sequences of amino acids is addressed. A statistical analysis is performed in terms of blocked and random walk values formed by binary hydrophobic assignments of the amino acids along…

chem-ph · Physics 2009-10-28 Anders Irbäck , Carsten Peterson , Frank Potthast

Understanding and leveraging the 3D structures of proteins is central to a variety of biological and drug discovery tasks. While deep learning has been applied successfully for structure-based protein function prediction tasks, current…

Machine Learning · Computer Science 2024-04-03 Rong Han , Wenbing Huang , Lingxiao Luo , Xinyan Han , Jiaming Shen , Zhiqiang Zhang , Jun Zhou , Ting Chen

Protein-nucleic acid interactions play a very important role in a variety of biological activities. Accurate identification of nucleic acid-binding residues is a critical step in understanding the interaction mechanisms. Although many…

Quantitative Methods · Quantitative Biology 2024-01-23 Wenwu Zeng , Dafeng Lv , Wenjuan Liu , Shaoliang Peng

Accurately predicting protein melting temperature changes (Delta Tm) is fundamental for assessing protein stability and guiding protein engineering. Leveraging multi-modal protein representations has shown great promise in capturing the…

Machine Learning · Computer Science 2025-03-25 Daiheng Zhang , Yan Zeng , Xinyu Hong , Jinbo Xu