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Graph representation learning methods are highly effective in handling complex non-Euclidean data by capturing intricate relationships and features within graph structures. However, traditional methods face challenges when dealing with…

Machine Learning · Computer Science 2025-02-25 Hang Gao , Chenhao Zhang , Fengge Wu , Junsuo Zhao , Changwen Zheng , Huaping Liu

Background: The rational identification of essential genes is a cornerstone of drug discovery, yet standard computational methods like Flux Balance Analysis (FBA) often struggle to produce accurate predictions in complex, redundant…

Molecular Networks · Quantitative Biology 2025-07-29 Justin Boone

With the rapid development of high-throughput sequencing platforms, an increasing number of omics technologies, such as genomics, metabolomics, and transcriptomics, are being applied to disease genetics research. However, biological data…

Genomics · Quantitative Biology 2024-12-18 Lei Xin , Caiyun Huang , Hao Li , Shihong Huang , Yuling Feng , Zhenglun Kong , Zicheng Liu , Siyuan Li , Chang Yu , Fei Shen , Hao Tang

Linearized string representations serve as the foundation of scalable autoregressive molecular generation; however, they introduce a fundamental modality mismatch where a single molecular graph maps to multiple distinct sequences. This…

Machine Learning · Computer Science 2026-03-27 Xinyu Wang , Fei Dou , Jinbo Bi , Minghu Song

Large Language Models (LLMs) may suffer from hallucinations in real-world applications due to the lack of relevant knowledge. In contrast, knowledge graphs encompass extensive, multi-relational structures that store a vast array of symbolic…

Computation and Language · Computer Science 2024-09-06 Jie Ma , Zhitao Gao , Qi Chai , Wangchun Sun , Pinghui Wang , Hongbin Pei , Jing Tao , Lingyun Song , Jun Liu , Chen Zhang , Lizhen Cui

The interactions between DNA, RNA, and proteins are fundamental to biological processes, as illustrated by the central dogma of molecular biology. Although modern biological pre-trained models have achieved great success in analyzing these…

Machine Learning · Computer Science 2025-12-02 Zicheng Liu , Siyuan Li , Zhiyuan Chen , Chang Yu , Qirong Yang , Yucheng Guo , Yujie Yang , Xiaoming Zhang , Stan Z. Li

Motivation: Molecular interaction networks summarize complex biological processes as graphs, whose structure is informative of biological function at multiple scales. Simultaneously, omics technologies measure the variation or activity of…

Quantitative Methods · Quantitative Biology 2020-12-24 Ramin Hasibi , Tom Michoel

Structured data, such as tables, graphs, and databases, play a critical role in plentiful NLP tasks such as question answering and dialogue system. Recently, inspired by Vision-Language Models, Graph Neutral Networks (GNNs) have been…

Computation and Language · Computer Science 2025-02-11 Yao Xu , Shizhu He , Jiabei Chen , Zeng Xiangrong , Bingning Wang , Guang Liu , Jun Zhao , Kang Liu

In document classification, graph-based models effectively capture document structure, overcoming sequence length limitations and enhancing contextual understanding. However, most existing graph document representations rely on heuristics,…

Computation and Language · Computer Science 2025-08-05 Margarita Bugueño , Gerard de Melo

Biological tree (BioTree) analysis is a foundational tool in biology, enabling the exploration of evolutionary and differentiation relationships among organisms, genes, and cells. Traditional tree construction methods, while instrumental in…

Populations and Evolution · Quantitative Biology 2025-02-18 Zelin Zang , Yongjie Xu , Chenrui Duan , Yue Yuan , Jinlin Wu , Zhen Lei , Stan Z. Li

Deep learning methods exhibit promising performance for predictive modeling in healthcare, but two important challenges remain: -Data insufficiency:Often in healthcare predictive modeling, the sample size is insufficient for deep learning…

Machine Learning · Computer Science 2017-04-04 Edward Choi , Mohammad Taha Bahadori , Le Song , Walter F. Stewart , Jimeng Sun

Single-cell RNA sequencing (scRNA-seq) enables dissecting cellular heterogeneity in tissues, resulting in numerous biological discoveries. Various computational methods have been devised to delineate cell types by clustering scRNA-seq data…

Quantitative Methods · Quantitative Biology 2023-09-18 Tram Huynh , Zixuan Cang

In this paper we present a lexicon-based approach to the problem of morphological processing. Full-form words, lemmas and grammatical tags are interconnected in a DAWG. Thus, the process of analysis/synthesis is reduced to a search in the…

Computation and Language · Computer Science 2007-05-23 Kyriakos N. Sgarbas , Nikos D. Fakotakis , George K. Kokkinakis

Large scale pretrained models have revolutionized Natural Language Processing (NLP) and Computer Vision (CV), showcasing remarkable cross domain generalization abilities. However, in graph learning, models are typically trained on…

Computation and Language · Computer Science 2025-10-03 Ruyue Liu , Rong Yin , Xiangzhen Bo , Xiaoshuai Hao , Yong Liu , Jinwen Zhong , Can Ma , Weiping Wang

Cell identity encompasses various semantic aspects of a cell, including cell type, pathway information, disease information, and more, which are essential for biologists to gain insights into its biological characteristics. Understanding…

Genomics · Quantitative Biology 2024-06-12 Suyuan Zhao , Jiahuan Zhang , Yushuai Wu , Yizhen Luo , Zaiqing Nie

While Large Language Models (LLMs) demonstrate remarkable proficiency in semantic understanding, they often struggle to ensure structural consistency and reasoning reliability in complex decision-making tasks that demand rigorous logic.…

Artificial Intelligence · Computer Science 2026-01-26 Hongjia Wu , Shuai Zhou , Hongxin Zhang , Wei Chen

Latent Graph Inference (LGI) relaxed the reliance of Graph Neural Networks (GNNs) on a given graph topology by dynamically learning it. However, most of LGI methods assume to have a (noisy, incomplete, improvable, ...) input graph to rewire…

Machine Learning · Computer Science 2023-08-04 Claudio Battiloro , Indro Spinelli , Lev Telyatnikov , Michael Bronstein , Simone Scardapane , Paolo Di Lorenzo

Developing methods to process irregularly structured data is crucial in applications like gene-regulatory, brain, power, and socioeconomic networks. Graphs have been the go-to algebraic tool for modeling the structure via nodes and edges…

Signal Processing · Electrical Eng. & Systems 2025-02-17 Elvin Isufi , Geert Leus , Baltasar Beferull-Lozano , Sergio Barbarossa , Paolo Di Lorenzo

Artificial intelligence (AI) is reshaping computational and network biology by enabling new approaches to decode cellular communication networks. We introduce Hierarchical Molecular Language Models (HMLMs), a novel framework that models…

Molecular Networks · Quantitative Biology 2025-12-16 Hasi Hays , Yue Yu , William J. Richardson

In recent years, the field of single-cell data analysis has seen a marked advancement in the development of clustering methods. Despite advancements, most of these algorithms still concentrate on analyzing the provided single-cell matrix…

Machine Learning · Computer Science 2023-12-18 Dayu Hu , Ke Liang , Hao Yu , Xinwang Liu