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Modern Deep Learning (DL) models have grown to sizes requiring massive clusters of specialized, high-end nodes to train. Designing such clusters to maximize both performance and utilization--to amortize their steep cost--is a challenging…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-03-15 Divya Kiran Kadiyala , Saeed Rashidi , Taekyung Heo , Abhimanyu Rajeshkumar Bambhaniya , Tushar Krishna , Alexandros Daglis

Decoding the linguistic intricacies of the genome is a crucial problem in biology, and pre-trained foundational models such as DNABERT and Nucleotide Transformer have made significant strides in this area. Existing works have largely hinged…

Genomics · Quantitative Biology 2024-03-20 Zhihan Zhou , Yanrong Ji , Weijian Li , Pratik Dutta , Ramana Davuluri , Han Liu

RNA is a vital biomolecule with numerous roles and functions within cells, and interest in targeting it for therapeutic purposes has grown significantly in recent years. However, fully understanding and predicting RNA behavior, particularly…

Large Language Models (LLMs) have demonstrated remarkable capabilities on general text; however, their proficiency in specialized scientific domains that require deep, interconnected knowledge remains largely uncharacterized. Metabolomics…

Computation and Language · Computer Science 2025-10-17 Yuxing Lu , Xukai Zhao , J. Ben Tamo , Micky C. Nnamdi , Rui Peng , Shuang Zeng , Xingyu Hu , Jinzhuo Wang , May D. Wang

Many benchmarks exist for evaluating long-context language models (LCLMs), yet developers often rely on synthetic tasks such as needle-in-a-haystack (NIAH) or an arbitrary subset of tasks. However, it remains unclear whether these…

Computation and Language · Computer Science 2025-03-07 Howard Yen , Tianyu Gao , Minmin Hou , Ke Ding , Daniel Fleischer , Peter Izsak , Moshe Wasserblat , Danqi Chen

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

Large Language Models (LLMs) demonstrate remarkable generalizability across diverse tasks, yet genomic foundation models (GFMs) still require separate finetuning for each downstream application, creating significant overhead as model sizes…

Genomics · Quantitative Biology 2025-02-07 Zehui Li , Vallijah Subasri , Yifei Shen , Dongsheng Li , Yiren Zhao , Guy-Bart Stan , Caihua Shan

Large language models (LLMs) have become important tools in solving biological problems, offering improvements in accuracy and adaptability over conventional methods. Several benchmarks have been proposed to evaluate the performance of…

Identifying potential drug targets using metabolic modeling requires integrating multiple modeling methods and heterogenous biological datasets, which can be challenging without sophisticated tools. We developed COMO, a user-friendly…

Computational methods that operate on three-dimensional molecular structure have the potential to solve important questions in biology and chemistry. In particular, deep neural networks have gained significant attention, but their…

The recent advances in neural language models have also been successfully applied to the field of chemistry, offering generative solutions for classical problems in molecular design and synthesis planning. These new methods have the…

Machine Learning · Computer Science 2023-05-19 Dimitrios Christofidellis , Giorgio Giannone , Jannis Born , Ole Winther , Teodoro Laino , Matteo Manica

While large language models (LLMs) with Chain-of-Thought (CoT) reasoning excel in mathematics and coding, their potential for systematic reasoning in chemistry, a domain demanding rigorous structural analysis for real-world tasks like drug…

Artificial Intelligence · Computer Science 2026-01-08 Hao Li , He Cao , Bin Feng , Yanjun Shao , Xiangru Tang , Zhiyuan Yan , Li Yuan , Yonghong Tian , Yu Li

The application of deep learning methods, particularly foundation models, in biological research has surged in recent years. These models can be text-based or trained on underlying biological data, especially omics data of various types.…

Artificial Intelligence · Computer Science 2024-12-06 Yoav Kan-Tor , Michael Morris Danziger , Eden Zohar , Matan Ninio , Yishai Shimoni

Discovering gene-disease associations is crucial for understanding disease mechanisms, yet identifying these associations remains challenging due to the time and cost of biological experiments. Computational methods are increasingly vital…

Artificial Intelligence · Computer Science 2025-01-15 Wentao Cui , Shoubo Li , Chen Fang , Qingqing Long , Chengrui Wang , Xuezhi Wang , Yuanchun Zhou

Genome-scale stoichiometric modeling of metabolism has become a standard systems biology tool for modeling cellular physiology and growth. Extensions of this approach are also emerging as a valuable avenue for predicting, understanding and…

The computational power increases over the past decades havegreatly enhanced the ability to simulate chemical reactions andunderstand ever more complex transformations. Tensor contractions are the fundamental computational building block of…

Mathematical Software · Computer Science 2022-01-02 Erdal Mutlu , Ruiqin Tian , Bin Ren , Sriram Krishnamoorthy , Roberto Gioiosa , Jacques Pienaar , Gokcen Kestor

Modeling genomic sequences faces two unsolved challenges: the information density varies widely across different regions, while there is no clearly defined minimum vocabulary unit. Relying on either four primitive bases or independently…

Genomics · Quantitative Biology 2025-11-20 Siyuan Li , Kai Yu , Anna Wang , Zicheng Liu , Chang Yu , Jingbo Zhou , Qirong Yang , Yucheng Guo , Xiaoming Zhang , Stan Z. Li

Understanding cellular mechanisms requires integrating information across DNA, RNA, and protein - the three molecular systems linked by the Central Dogma of molecular biology. While domain-specific foundation models have achieved success…

Machine Learning · Computer Science 2026-01-13 Nobuyuki Ota

Recently developed technologies to generate single-cell genomic data have made a revolutionary impact in the field of biology. Multi-omics assays offer even greater opportunities to understand cellular states and biological processes.…

Genomics · Quantitative Biology 2022-01-19 Stefan Stanojevic , Yijun Li , Lana X. Garmire