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We present ensemble methods in a machine learning (ML) framework combining predictions from five known motif/binding site exploration algorithms. For a given TF the ensemble starts with position weight matrices (PWM's) for the motif,…

Genomics · Quantitative Biology 2018-05-11 Yue Fan , Mark Kon , Charles DeLisi

Protein language models are a powerful tool for learning protein representations through pre-training on vast protein sequence datasets. However, traditional protein language models lack explicit structural supervision, despite its…

Biomolecules · Quantitative Biology 2024-02-09 Zuobai Zhang , Jiarui Lu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang

Although text-to-image (T2I) models exhibit remarkable generation capabilities, they frequently fail to accurately bind semantically related objects or attributes in the input prompts; a challenge termed semantic binding. Previous…

Computer Vision and Pattern Recognition · Computer Science 2024-11-12 Taihang Hu , Linxuan Li , Joost van de Weijer , Hongcheng Gao , Fahad Shahbaz Khan , Jian Yang , Ming-Ming Cheng , Kai Wang , Yaxing Wang

Phosphorylation is pivotal in numerous fundamental cellular processes and plays a significant role in the onset and progression of various diseases. The accurate identification of these phosphorylation sites is crucial for unraveling the…

Quantitative Methods · Quantitative Biology 2024-03-27 Ziyang Xu , Haitian Zhong , Bingrui He , Xueying Wang , Tianchi Lu

Large Language Models (LLMs) demonstrate exceptional performance across diverse tasks but come with substantial energy and computational costs, particularly in request-heavy scenarios. In many real-world applications, the full scale and…

Computation and Language · Computer Science 2026-03-24 Patrick Wilhelm , Thorsten Wittkopp , Odej Kao

Protein-protein interactions (PPIs) are essentials for many biological processes where two or more proteins physically bind together to achieve their functions. Modeling PPIs is useful for many biomedical applications, such as vaccine…

Biomolecules · Quantitative Biology 2021-12-10 Yang Xue , Zijing Liu , Xiaomin Fang , Fan Wang

The rapid adaptation ability of auto-regressive foundation models is often attributed to the diversity of their pre-training data. This is because, from a Bayesian standpoint, minimizing prediction error in such settings requires…

Machine Learning · Computer Science 2025-06-23 Leo Gagnon , Eric Elmoznino , Sarthak Mittal , Tom Marty , Tejas Kasetty , Dhanya Sridhar , Guillaume Lajoie

Many applications of large language models (LLMs) require long-context understanding, but models continue to struggle with such tasks. We hypothesize that conventional next-token prediction training could contribute to this, because each…

Computation and Language · Computer Science 2025-03-13 Falko Helm , Nico Daheim , Iryna Gurevych

Probabilistic time series forecasting is crucial in many application domains such as retail, ecommerce, finance, or biology. With the increasing availability of large volumes of data, a number of neural architectures have been proposed for…

Machine Learning · Computer Science 2021-12-15 Olivier Sprangers , Sebastian Schelter , Maarten de Rijke

Recent advancements in Deep Neural Network (DNN) models have significantly improved performance across computer vision tasks. However, achieving highly generalizable and high-performing vision models requires expansive datasets, resulting…

Computer Vision and Pattern Recognition · Computer Science 2024-08-13 Minhyun Lee , Song Park , Byeongho Heo , Dongyoon Han , Hyunjung Shim

In recent years, there has been an explosion of research on the application of deep learning to the prediction of various peptide properties, due to the significant development and market potential of peptides. Molecular dynamics has…

Biomolecules · Quantitative Biology 2023-07-19 Zihan Liu , Jiaqi Wang , Yun Luo , Shuang Zhao , Wenbin Li , Stan Z. Li

In post genomic era with the advent of new technologies a huge amount of complex molecular data are generated with high throughput. The management of this biological data is definitely a challenging task due to complexity and heterogeneity…

Databases · Computer Science 2014-03-13 Ananya Bose , Suprativ Saha

Protein language models (pLMs) pre-trained on vast protein sequence databases excel at various downstream tasks but often lack the structural knowledge essential for some biological applications. To address this, we introduce a method to…

Predicting protein stability changes induced by single-point mutations has been a persistent challenge over the years, attracting immense interest from numerous researchers. The ability to precisely predict protein thermostability is…

Biomolecules · Quantitative Biology 2023-12-08 Yijie Zhang , Zhangyang Gao , Cheng Tan , Stan Z. Li

Click-through rate (CTR) Prediction is a crucial task in personalized information retrievals, such as industrial recommender systems, online advertising, and web search. Most existing CTR Prediction models utilize explicit feature…

Information Retrieval · Computer Science 2024-02-19 Honghao Li , Lei Sang , Yi Zhang , Xuyun Zhang , Yiwen Zhang

Parameter-efficient tuning aims at updating only a small subset of parameters when adapting a pretrained model to downstream tasks. In this work, we introduce PASTA, in which we only modify the special token representations (e.g., [SEP] and…

Computation and Language · Computer Science 2023-02-15 Xiaocong Yang , James Y. Huang , Wenxuan Zhou , Muhao Chen

Prompt learning has achieved great success in efficiently exploiting large-scale pre-trained models in natural language processing (NLP). It reformulates the downstream tasks as the generative pre-training ones to achieve consistency, thus…

Computer Vision and Pattern Recognition · Computer Science 2023-12-18 Ning Liao , Bowen Shi , Xiaopeng Zhang , Min Cao , Junchi Yan , Qi Tian

As the only thiol-bearing amino acid, cysteine (Cys) residues in proteins have the reactive thiol side chain, which is susceptible to a series of post-translational modifications (PTMs). These PTMs participate in a wide range of biological…

Biomolecules · Quantitative Biology 2021-05-31 Yanzheng Meng , Lei Li

Predicting the effect of mutations in proteins is one of the most critical challenges in protein engineering; by knowing the effect a substitution of one (or several) residues in the protein's sequence has on its overall properties, could…

Computational Engineering, Finance, and Science · Computer Science 2020-10-08 David Medina-Ortiz , Sebastian Contreras , Juan Amado-Hinojosa , Jorge Torres-Almonacid , Juan A. Asenjo , Marcelo Navarrete , Álvaro Olivera-Nappa

Recent advances in natural language processing highlight two key factors for improving reasoning in large language models (LLMs): (i) allocating more test-time compute tends to help on harder problems but often introduces redundancy in the…

Computation and Language · Computer Science 2025-11-04 Riccardo Alberghi , Elizaveta Demyanenko , Luca Biggio , Luca Saglietti