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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

This paper proposes a large language model (LLM) approach that integrates graph-structured information for knowledge reasoning in tobacco pest and disease control. Built upon the GraphRAG framework, the proposed method enhances knowledge…

Computation and Language · Computer Science 2025-12-29 Siyu Li , Chenwei Song , Wan Zhou , Xinyi Liu

Graph Neural Networks (GNNs), a generalization of deep neural networks on graph data have been widely used in various domains, ranging from drug discovery to recommender systems. However, GNNs on such applications are limited when there are…

Machine Learning · Computer Science 2021-11-09 Debmalya Mandal , Sourav Medya , Brian Uzzi , Charu Aggarwal

Molecular representation learning is pivotal for various molecular property prediction tasks related to drug discovery. Robust and accurate benchmarks are essential for refining and validating current methods. Existing molecular property…

Chemical Physics · Physics 2024-06-27 Shikun Feng , Jiaxin Zheng , Yinjun Jia , Yanwen Huang , Fengfeng Zhou , Wei-Ying Ma , Yanyan Lan

The graph structure of biomedical data differs from those in typical knowledge graph benchmark tasks. A particular property of biomedical data is the presence of long-range dependencies, which can be captured by patterns described as…

Machine Learning · Computer Science 2020-07-13 Yushan Liu , Marcel Hildebrandt , Mitchell Joblin , Martin Ringsquandl , Volker Tresp

Gene expression datasets offer insights into gene regulation mechanisms, biochemical pathways, and cellular functions. Additionally, comparing gene expression profiles between disease and control patients can deepen the understanding of…

Machine Learning · Computer Science 2025-03-27 Rita T. Sousa , Heiko Paulheim

Representation learning is the foundation for the recent success of neural network models. However, the distributed representations generated by neural networks are far from ideal. Due to their highly entangled nature, they are di cult to…

Machine Learning · Computer Science 2016-02-09 William Whitney

Cancer remains one of the most challenging diseases to treat in the medical field. Machine learning has enabled in-depth analysis of rich multi-omics profiles and medical imaging for cancer diagnosis and prognosis. Despite these…

Machine Learning · Computer Science 2024-01-15 Lingchao Mao , Hairong Wang , Leland S. Hu , Nhan L Tran , Peter D Canoll , Kristin R Swanson , Jing Li

Knowledge models are fundamental to dialogue systems for enabling conversational interactions, which require handling domain-specific knowledge. Ensuring effective communication in information-providing conversations entails aligning user…

Computation and Language · Computer Science 2024-08-13 Phillip Schneider , Nektarios Machner , Kristiina Jokinen , Florian Matthes

Multi-label classification (MLC) is a supervised learning problem in which, contrary to standard multiclass classification, an instance can be associated with several class labels simultaneously. In this chapter, we advocate a rule-based…

Machine Learning · Computer Science 2020-12-09 Eneldo Loza Mencía , Johannes Fürnkranz , Eyke Hüllermeier , Michael Rapp

Probabilistic Graphical Models are often used to understand dynamics of a system. They can model relationships between features (nodes) and the underlying distribution. Theoretically these models can represent very complex dependency…

Machine Learning · Computer Science 2023-08-21 Harsh Shrivastava , Urszula Chajewska

Question answering is a natural language understanding task that involves reasoning over both explicit context, and unstated relevant domain knowledge. Despite the high cost of training, large language models (LLMs) -- the backbone of most…

Computation and Language · Computer Science 2025-04-24 Laura Cabello , Carmen Martin-Turrero , Uchenna Akujuobi , Anders Søgaard , Carlos Bobed

Multimodal few-shot learning is challenging due to the large domain gap between vision and language modalities. Existing methods are trying to communicate visual concepts as prompts to frozen language models, but rely on hand-engineered…

Computer Vision and Pattern Recognition · Computer Science 2023-03-01 Ivona Najdenkoska , Xiantong Zhen , Marcel Worring

The use of symbolic knowledge representation and reasoning as a way to resolve the lack of transparency of machine learning classifiers is a research area that lately attracts many researchers. In this work, we use knowledge graphs as the…

Artificial Intelligence · Computer Science 2022-02-09 Edmund Dervakos , Orfeas Menis-Mastromichalakis , Alexandros Chortaras , Giorgos Stamou

While deep learning has achieved great success in many fields, one common criticism about deep learning is its lack of interpretability. In most cases, the hidden units in a deep neural network do not have a clear semantic meaning or…

Genomics · Quantitative Biology 2019-06-04 Tianle Ma , Aidong Zhang

To solve a new task from minimal experience, it is essential to effectively reuse knowledge from previous tasks, a problem known as meta-learning. Compositional solutions, where common elements of computation are flexibly recombined into…

Machine Learning · Computer Science 2025-10-03 Jacob J. W. Bakermans , Pablo Tano , Reidar Riveland , Charles Findling , Alexandre Pouget

Reasoning is essential for the development of large knowledge graphs, especially for completion, which aims to infer new triples based on existing ones. Both rules and embeddings can be used for knowledge graph reasoning and they have their…

Artificial Intelligence · Computer Science 2019-03-22 Wen Zhang , Bibek Paudel , Liang Wang , Jiaoyan Chen , Hai Zhu , Wei Zhang , Abraham Bernstein , Huajun Chen

Biomedical knowledge graphs permit an integrative computational approach to reasoning about biological systems. The nature of biological data leads to a graph structure that differs from those typically encountered in benchmarking datasets.…

Machine Learning · Computer Science 2021-03-19 Yushan Liu , Marcel Hildebrandt , Mitchell Joblin , Martin Ringsquandl , Rime Raissouni , Volker Tresp

Biological systems and processes are networks of complex nonlinear regulatory interactions between nucleic acids, proteins, and metabolites. A natural way in which to represent these interaction networks is through the use of a graph. In…

Molecular Networks · Quantitative Biology 2023-01-04 Jacob Rast

With the tremendous increase in the amount of biological literature, developing automated methods for extracting big data from papers, building models and explaining big mechanisms becomes a necessity. We describe here our approach to…

Molecular Networks · Quantitative Biology 2017-06-14 Khaled Sayed , Cheryl A. Telmer , Adam A. Butchy , Natasa Miskov-Zivanov