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Over the past twenty years, artificial Gene Regulatory Networks (GRNs) have shown their capacity to solve real-world problems in various domains such as agent control, signal processing and artificial life experiments. They have also…

Neural and Evolutionary Computing · Computer Science 2018-07-17 Dennis G Wilson , Kyle Harrington , Sylvain Cussat-Blanc , Hervé Luga

Foundation models in genomics have shown mixed success compared to their counterparts in natural language processing. Yet, the reasons for their limited effectiveness remain poorly understood. In this work, we investigate the role of…

Machine Learning · Computer Science 2026-04-07 Maxime Rochkoulets , Lovro Vrček , Mile Šikić

Graph Neural Networks (GNNs) use a fully-connected layer to extract features from the nodes of a graph and aggregate these features using message passing between nodes, combining two distinct computational patterns: dense, regular…

Hardware Architecture · Computer Science 2021-03-22 Jacob R. Stevens , Dipankar Das , Sasikanth Avancha , Bharat Kaul , Anand Raghunathan

The problem of molecular generation has received significant attention recently. Existing methods are typically based on deep neural networks and require training on large datasets with tens of thousands of samples. In practice, however,…

Machine Learning · Computer Science 2022-03-16 Minghao Guo , Veronika Thost , Beichen Li , Payel Das , Jie Chen , Wojciech Matusik

Graph neural networks (GNNs) are widely used for modelling graph-structured data in numerous applications. However, with their inherently finite aggregation layers, existing GNN models may not be able to effectively capture long-range…

Machine Learning · Computer Science 2022-02-23 Juncheng Liu , Kenji Kawaguchi , Bryan Hooi , Yiwei Wang , Xiaokui Xiao

How to obtain informative representations of molecules is a crucial prerequisite in AI-driven drug design and discovery. Recent researches abstract molecules as graphs and employ Graph Neural Networks (GNNs) for molecular representation…

Biomolecules · Quantitative Biology 2020-10-30 Yu Rong , Yatao Bian , Tingyang Xu , Weiyang Xie , Ying Wei , Wenbing Huang , Junzhou Huang

The code of nature, embedded in DNA and RNA genomes since the origin of life, holds immense potential to impact both humans and ecosystems through genome modeling. Genomic Foundation Models (GFMs) have emerged as a transformative approach…

Genomics · Quantitative Biology 2025-05-21 Heng Yang , Jack Cole , Yuan Li , Renzhi Chen , Geyong Min , Ke Li

Genomic sequence analysis plays a crucial role in various scientific and medical domains. Traditional machine-learning approaches often struggle to capture the complex relationships and hierarchical structures of sequence data when working…

Machine Learning · Computer Science 2025-10-02 Sarwan Ali , Haris Mansoor , Murray Patterson

Inspired by the remarkable success of foundation models in language and vision, Graph Foundation Models (GFMs) hold significant promise for broad applicability across diverse graph tasks and domains. However, existing GFMs struggle with…

Machine Learning · Computer Science 2025-11-11 Haonan Yuan , Qingyun Sun , Junhua Shi , Xingcheng Fu , Bryan Hooi , Jianxin Li , Philip S. Yu

In an ever expanding set of research and application areas, deep neural networks (DNNs) set the bar for algorithm performance. However, depending upon additional constraints such as processing power and execution time limits, or…

Machine Learning · Computer Science 2021-06-22 Nathan Dahlin , Krishna Chaitanya Kalagarla , Nikhil Naik , Rahul Jain , Pierluigi Nuzzo

We introduce Griffin, the first foundation model attemptation designed specifically for Relational Databases (RDBs). Unlike previous smaller models focused on single RDB tasks, Griffin unifies the data encoder and task decoder to handle…

Machine Learning · Computer Science 2025-06-12 Yanbo Wang , Xiyuan Wang , Quan Gan , Minjie Wang , Qibin Yang , David Wipf , Muhan Zhang

The dominance of large decoder-only language models has overshadowed encoder-decoder architectures, despite their fundamental efficiency advantages in sequence processing. For small language models (SLMs) - those with 1 billion parameters…

Computation and Language · Computer Science 2025-01-31 Mohamed Elfeki , Rui Liu , Chad Voegele

In the genome biology research, regulatory genome modeling is an important topic for many regulatory downstream tasks, such as promoter classification, transaction factor binding sites prediction. The core problem is to model how regulatory…

Genomics · Quantitative Biology 2021-11-04 Shentong Mo , Xi Fu , Chenyang Hong , Yizhen Chen , Yuxuan Zheng , Xiangru Tang , Zhiqiang Shen , Eric P Xing , Yanyan Lan

While kernel methods and Graph Neural Networks offer complementary strengths, integrating the two has posed challenges in efficiency and scalability. The Graph Neural Tangent Kernel provides a theoretical bridge by interpreting GNNs through…

Machine Learning · Computer Science 2025-07-17 Lin Wang , Shijie Wang , Sirui Huang , Qing Li

Existing large language model-based code generation pipelines typically use beam search or sampling algorithms during the decoding process. Although the programs they generate achieve high token-matching-based scores, they often fail to…

Machine Learning · Computer Science 2023-03-10 Shun Zhang , Zhenfang Chen , Yikang Shen , Mingyu Ding , Joshua B. Tenenbaum , Chuang Gan

Gene transformer models such as Nucleotide Transformer, DNABert, and LOGO are trained to learn optimal gene sequence representations by using the Masked Language Modeling (MLM) training objective over the complete Human Reference Genome.…

Computation and Language · Computer Science 2024-10-23 Soumyadeep Roy , Shamik Sural , Niloy Ganguly

DNA sequencing is the basic workhorse of modern day biology and medicine. Shotgun sequencing is the dominant technique used: many randomly located short fragments called reads are extracted from the DNA sequence, and these reads are…

Information Theory · Computer Science 2013-02-15 Abolfazl Motahari , Guy Bresler , David Tse

Developing physics-based models for molecular simulation requires fitting many unknown parameters to diverse experimental datasets. Traditionally, this process is piecemeal and difficult to reproduce, leading to a fragmented landscape of…

Biological Physics · Physics 2025-04-10 Ryan K. Krueger , Megan C. Engel , Ryan Hausen , Michael P. Brenner

Despite their success and widespread adoption, the opaque nature of deep neural networks (DNNs) continues to hinder trust, especially in critical applications. Current interpretability solutions often yield inconsistent or oversimplified…

Machine Learning · Computer Science 2024-10-10 Alec F. Diallo , Vaishak Belle , Paul Patras

This paper focuses on pattern matching in the DNA sequence. It was inspired by a previously reported method that proposes encoding both pattern and sequence using prime numbers. Although fast, the method is limited to rather small pattern…

Computer Vision and Pattern Recognition · Computer Science 2016-11-21 Janja Paliska Soldo , Ana Sovic Krzic , and Damir Sersic
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