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This study investigates the current landscape and future directions of protein foundation model research. While recent advancements have transformed protein science and engineering, the field lacks a comprehensive benchmark for fair…

Biomolecules · Quantitative Biology 2025-06-19 Zhangyang Gao , Hao Wang , Cheng Tan , Chenrui Xu , Mengdi Liu , Bozhen Hu , Linlin Chao , Xiaoming Zhang , Stan Z. Li

Linguistic representation learning in deep neural language models (LMs) has been studied for decades, for both practical and theoretical reasons. However, finding representations in LMs remains an unsolved problem, in part due to a dilemma…

Computation and Language · Computer Science 2026-03-26 Joshua Rozner , Cory Shain

Positional Encodings (PEs) are essential for injecting structural information into Graph Neural Networks (GNNs), particularly Graph Transformers, yet their empirical impact remains insufficiently understood. We introduce a unified…

Machine Learning · Computer Science 2026-01-15 Florian Grötschla , Jiaqing Xie , Roger Wattenhofer

In high-throughput data, dynamic correlation between genes, i.e. changing correlation patterns under different biological conditions, can reveal important regulatory mechanisms. Given the complex nature of dynamic correlation, and the…

Applications · Statistics 2017-05-09 Tianwei Yu

Modeling the relationship between chemical structure and molecular activity is a key goal in drug development. Many benchmark tasks have been proposed for molecular property prediction, but these tasks are generally aimed at specific,…

Quantitative Methods · Quantitative Biology 2020-10-05 Samuel G. Finlayson , Matthew B. A. McDermott , Alex V. Pickering , Scott L. Lipnick , Isaac S. Kohane

Foundation Models have demonstrated significant success across various domains in Artificial Intelligence (AI), yet their capabilities for brainwave modeling remain unclear. In this paper, we comprehensively evaluate current Large Brainwave…

Machine Learning · Computer Science 2025-11-26 Na Lee , Konstantinos Barmpas , Yannis Panagakis , Dimitrios Adamos , Nikolaos Laskaris , Stefanos Zafeiriou

For cellular biochemical reaction systems where the numbers of molecules is small, significant noise is associated with chemical reaction events. This molecular noise can give rise to behavior that is very different from the predictions of…

Molecular Networks · Quantitative Biology 2009-11-13 Matthew Scott , Terence Hwa , Brian Ingalls

Data analysis focuses on harnessing advanced statistics, programming, and machine learning techniques to extract valuable insights from vast datasets. An increasing volume and variety of research emerged, addressing datasets of diverse…

Databases · Computer Science 2025-01-06 Chen Liang , Donghua Yang , Zheng Liang , Zhiyu Liang , Tianle Zhang , Boyu Xiao , Yuqing Yang , Wenqi Wang , Hongzhi Wang

Principal component analysis (PCA) is a tool to capture factors that explain variation in data. Across domains, data are now collected across multiple contexts (for example, individuals with different diseases, cells of different types, or…

Machine Learning · Statistics 2026-01-22 Kexin Wang , Salil Bhate , João M. Pereira , Joe Kileel , Matylda Figlerowicz , Anna Seigal

Predicting transcriptional responses to novel drugs provides a unique opportunity to accelerate biomedical research and advance drug discovery efforts. However, the inherent complexity and high dimensionality of cellular responses, combined…

Motivation. Cancer heterogeneity is observed at multiple biological levels. To improve our understanding of these differences and their relevance in medicine, approaches to link organ- and tissue-level information from diagnostic images and…

Quantitative Methods · Quantitative Biology 2020-05-19 Nova F. Smedley , Suzie El-Saden , William Hsu

Transformer-based foundation models have emerged as a dominant paradigm in time series analysis, offering unprecedented capabilities in tasks such as forecasting, anomaly detection, classification, trend analysis and many more time series…

Principal component analysis (PCA) is a key tool in the field of data dimensionality reduction that is useful for various data science problems. However, many applications involve heterogeneous data that varies in quality due to noise…

Machine Learning · Statistics 2023-11-14 Javier Salazar Cavazos , Jeffrey A. Fessler , Laura Balzano

Immune checkpoint inhibitors (ICIs) have transformed cancer therapy; yet substantial proportion of patients exhibit intrinsic or acquired resistance, making accurate pre-treatment response prediction a critical unmet need.…

Transcriptome foundation models TFMs hold great promises of deciphering the transcriptomic language that dictate diverse cell functions by self-supervised learning on large-scale single-cell gene expression data, and ultimately unraveling…

Machine Learning · Computer Science 2025-03-03 Xinyu Yuan , Zhihao Zhan , Zuobai Zhang , Manqi Zhou , Jianan Zhao , Boyu Han , Yue Li , Jian Tang

Robust machine learning for regulatory genomics is studied under biologically and technically induced distribution shifts. Deep convolutional and attention based models achieve strong in distribution performance on DNA regulatory sequence…

Genomics · Quantitative Biology 2026-02-20 Yiyao Yang

The discovery of causal relationships from high-dimensional data is a major open problem in bioinformatics. Machine learning and feature attribution models have shown great promise in this context but lack causal interpretation. Here, we…

Machine Learning · Computer Science 2023-04-26 Payam Dibaeinia , Saurabh Sinha

The bucketed PCA neural network (PCA-NN) with transforms is developed here in an effort to benchmark deep neural networks (DNN's), for problems on supervised classification. Most classical PCA models apply PCA to the entire training data…

Machine Learning · Computer Science 2021-08-03 Jackie Shen

Sound data analysis is essential to retrieve meaningful biological information from single-cell proteomics experiments. This analysis is carried out by computational methods that are assembled into workflows, and their implementations…

Quantitative Methods · Quantitative Biology 2022-12-02 Christophe Vanderaa , Laurent Gatto

Large Language Models (LLMs) are increasingly adopted as conversational assistants in genomics, where they are mainly used to reason over biological knowledge, annotations, and analysis outputs through natural language interfaces. However,…

Genomics · Quantitative Biology 2026-04-08 Weicai Long , Yusen Hou , Junning Feng , Houcheng Su , Shuo Yang , Donglin Xie , Yanlin Zhang