English
Related papers

Related papers: Deep Contextual Learners for Protein Networks

200 papers

Knowledge graph embedding (KGE) focuses on representing the entities and relations of a knowledge graph (KG) into the continuous vector spaces, which can be employed to predict the missing triples to achieve knowledge graph completion…

Computation and Language · Computer Science 2023-07-25 Yichi Zhang , Wen Zhang

The AI2 Reasoning Challenge (ARC), a new benchmark dataset for question answering (QA) has been recently released. ARC only contains natural science questions authored for human exams, which are hard to answer and require advanced logic…

Machine Learning · Computer Science 2018-06-01 Yuyu Zhang , Hanjun Dai , Kamil Toraman , Le Song

Despite the high accuracy of 'black box' deep learning models, drug discovery still relies on protein-ligand interaction principles and heuristics. To improve interpretability of protein-small molecule binding predictions, we developed the…

Machine Learning · Computer Science 2026-04-21 Jingke Chen , Jingrui Zhong , Tazneen Hossain Tani , Zidong Su , Xiaochun Zhang , Boxue Tian

Recently, doc2vec has achieved excellent results in different tasks. In this paper, we present a context aware variant of doc2vec. We introduce a novel weight estimating mechanism that generates weights for each word occurrence according to…

Computation and Language · Computer Science 2017-07-07 Zhaocheng Zhu , Junfeng Hu

Antibodies are Y-shaped proteins that protect the host by binding to specific antigens, and their binding is mainly determined by the Complementary Determining Regions (CDRs) in the antibody. Despite the great progress made in CDR design,…

Quantitative Methods · Quantitative Biology 2025-01-03 Lirong Wu , Haitao Lin , Yufei Huang , Zhangyang Gao , Cheng Tan , Yunfan Liu , Tailin Wu , Stan Z. Li

Differential medical VQA models compare multiple images to identify clinically meaningful changes and rely on vision encoders to capture fine-grained visual differences that reflect radiologists' comparative diagnostic workflows. However,…

Computer Vision and Pattern Recognition · Computer Science 2026-04-23 Denis Musinguzi , Caren Han , Prasenjit Mitra

Events describe the state changes of entities. In a document, multiple events are connected by various relations (e.g., Coreference, Temporal, Causal, and Subevent). Therefore, obtaining the connections between events through Event-Event…

Computation and Language · Computer Science 2024-03-20 Haochen Li , Di Geng

We introduce a wide and deep neural network for prediction of progression from patients with mild cognitive impairment to Alzheimer's disease. Information from anatomical shape and tabular clinical data (demographics, biomarkers) are fused…

Machine Learning · Computer Science 2020-04-01 Sebastian Pölsterl , Ignacio Sarasua , Benjamín Gutiérrez-Becker , Christian Wachinger

The natural world is full of complex systems characterized by intricate relations between their components: from social interactions between individuals in a social network to electrostatic interactions between atoms in a protein.…

Machine Learning · Computer Science 2024-02-23 Mathilde Papillon , Sophia Sanborn , Mustafa Hajij , Nina Miolane

Accurate prediction of protein-ligand binding affinity is critical for drug discovery. While recent deep learning approaches have demonstrated promising results, they often rely solely on structural features of proteins and ligands,…

Machine Learning · Computer Science 2026-01-23 Han Liu , Keyan Ding , Peilin Chen , Yinwei Wei , Liqiang Nie , Dapeng Wu , Shiqi Wang

Finding an interpretable non-redundant representation of real-world data is one of the key problems in Machine Learning. Biological neural networks are known to solve this problem quite well in unsupervised manner, yet unsupervised…

Machine Learning · Computer Science 2020-10-13 Denis Kuzminykh , Laida Kushnareva , Timofey Grigoryev , Alexander Zatolokin

All industries are trying to leverage Artificial Intelligence (AI) based on their existing big data which is available in so called tabular form, where each record is composed of a number of heterogeneous continuous and categorical columns…

Knowledge graph embedding, which aims to represent entities and relations as low dimensional vectors (or matrices, tensors, etc.), has been shown to be a powerful technique for predicting missing links in knowledge graphs. Existing…

Machine Learning · Computer Science 2022-04-07 Zhanqiu Zhang , Jianyu Cai , Yongdong Zhang , Jie Wang

In this work, we propose a novel tree-based explanation technique, PEACH (Pretrained-embedding Explanation Across Contextual and Hierarchical Structure), that can explain how text-based documents are classified by using any pretrained…

Computation and Language · Computer Science 2024-04-23 Feiqi Cao , Caren Han , Hyunsuk Chung

Deep neural networks are one of the most successful classifiers across different domains. However, due to their limitations concerning interpretability their use is limited in safety critical context. The research field of explainable…

Machine Learning · Computer Science 2022-05-30 Dominique Mercier , Andreas Dengel , Sheraz Ahmed

Biological networks provide insight into the complex organization of biological processes in a cell at the system level. They are an effective tool for understanding the comprehensive map of functional interactions, finding the functional…

Molecular Networks · Quantitative Biology 2017-09-14 Somaye Hashemifar

Knowledge bases, and their representations in the form of knowledge graphs (KGs), are naturally incomplete. Since scientific and industrial applications have extensively adopted them, there is a high demand for solutions that complete their…

Artificial Intelligence · Computer Science 2025-07-30 Vítor Lourenço , Aline Paes

Recent advancements in multimodal pre-training models have significantly advanced computational pathology. However, current approaches predominantly rely on visual-language models, which may impose limitations from a molecular perspective…

Computer Vision and Pattern Recognition · Computer Science 2024-12-03 Minghao Han , Dingkang Yang , Jiabei Cheng , Xukun Zhang , Linhao Qu , Zizhi Chen , Lihua Zhang

In this paper, we will show that the recently introduced graphical model: Conditional Random Fields (CRF) provides a template to integrate micro-level information about biological entities into a mathematical model to understand their…

Machine Learning · Computer Science 2020-08-07 Lior Lukov , Sanjay Chawla , Wei Liu , Brett Church , Gaurav Pandey

Coronavirus Disease 2019 (COVID-19) has been creating a worldwide pandemic situation. Repurposing drugs, already shown to be free of harmful side effects, for the treatment of COVID-19 patients is an important option in launching novel…

Molecular Networks · Quantitative Biology 2020-07-07 Sumanta Ray , Snehalika Lall , Anirban Mukhopadhyay , Sanghamitra Bandyopadhyay , Alexander Schönhuth