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Probabilistic graphical modeling (PGM) provides a framework for formulating an interpretable generative process of data and expressing uncertainty about unknowns, but it lacks flexibility. Deep learning (DL) is an alternative framework for…

Machine Learning · Statistics 2021-04-27 Adji B. Dieng

Graph representation learning is a fast-growing field where one of the main objectives is to generate meaningful representations of graphs in lower-dimensional spaces. The learned embeddings have been successfully applied to perform various…

Machine Learning · Computer Science 2021-12-21 Md. Khaledur Rahman , Ariful Azad

Modern deep transfer learning approaches have mainly focused on learning generic feature vectors from one task that are transferable to other tasks, such as word embeddings in language and pretrained convolutional features in vision.…

Machine Learning · Computer Science 2018-07-04 Zhilin Yang , Jake Zhao , Bhuwan Dhingra , Kaiming He , William W. Cohen , Ruslan Salakhutdinov , Yann LeCun

Knowledge Graph (KG) is a flexible structure that is able to describe the complex relationship between data entities. Currently, most KG embedding models are trained based on negative sampling, i.e., the model aims to maximize some…

Artificial Intelligence · Computer Science 2021-06-17 Zelong Li , Jianchao Ji , Zuohui Fu , Yingqiang Ge , Shuyuan Xu , Chong Chen , Yongfeng Zhang

While deep learning has revolutionized the prediction of rigid protein structures, modelling the conformational ensembles of Intrinsically Disordered Proteins (IDPs) remains a key frontier. Current AI paradigms present a trade-off: Protein…

Biomolecules · Quantitative Biology 2025-12-19 Eoin Quinn , Marco Carobene , Jean Quentin , Sebastien Boyer , Miguel Arbesú , Oliver Bent

Foundation models in language and vision have the ability to run inference on any textual and visual inputs thanks to the transferable representations such as a vocabulary of tokens in language. Knowledge graphs (KGs) have different entity…

Computation and Language · Computer Science 2024-04-11 Mikhail Galkin , Xinyu Yuan , Hesham Mostafa , Jian Tang , Zhaocheng Zhu

Graph matching refers to finding node correspondence between graphs, such that the corresponding node and edge's affinity can be maximized. In addition with its NP-completeness nature, another important challenge is effective modeling of…

Computer Vision and Pattern Recognition · Computer Science 2020-12-01 Runzhong Wang , Junchi Yan , Xiaokang Yang

Machine learning on graph-structured data has recently become a major topic in industry and research, finding many exciting applications such as recommender systems and automated theorem proving. We propose an energy-based graph embedding…

Machine Learning · Computer Science 2023-08-25 Dominik Dold , Josep Soler Garrido

Graph-based retrieval-augmented generation (GraphRAG) exploits structured knowledge to support knowledge-intensive reasoning. However, most existing methods treat graphs as intermediate artifacts, and the few subgraph-based retrieval…

Information Retrieval · Computer Science 2026-03-10 Haonan Yuan , Qingyun Sun , Junhua Shi , Mingjun Liu , Jiaqi Yuan , Ziwei Zhang , Xingcheng Fu , Jianxin Li

Modern sequence models (e.g., Transformers, linear RNNs, etc.) emerged as dominant backbones of recent deep learning frameworks, mainly due to their efficiency, representational power, and/or ability to capture long-range dependencies.…

Machine Learning · Computer Science 2024-11-26 Ali Behrouz , Ali Parviz , Mahdi Karami , Clayton Sanford , Bryan Perozzi , Vahab Mirrokni

The effectiveness of Spatio-temporal Graph Neural Networks (STGNNs) in time-series applications is often limited by their dependence on fixed, hand-crafted input graph structures. Motivated by insights from the Topological Data Analysis…

Machine Learning · Computer Science 2025-03-20 Viet The Nguyen , Duy Anh Pham , An Thai Le , Jans Peter , Gunther Gust

We present Adaptive Multi-layer Contrastive Graph Neural Networks (AMC-GNN), a self-supervised learning framework for Graph Neural Network, which learns feature representations of sample data without data labels. AMC-GNN generates two graph…

Machine Learning · Computer Science 2023-11-30 Shuhao Shi , Pengfei Xie , Xu Luo , Kai Qiao , Linyuan Wang , Jian Chen , Bin Yan

The inference of gene regulatory networks (GRNs) is a foundational stride towards deciphering the fundamentals of complex biological systems. Inferring a possible regulatory link between two genes can be formulated as a link prediction…

Machine Learning · Computer Science 2025-04-25 Binon Teji , Swarup Roy

Accurate modelling and quantification of predictive uncertainty is crucial in deep learning since it allows a model to make safer decisions when the data is ambiguous and facilitates the users' understanding of the model's confidence in its…

Machine Learning · Statistics 2025-08-26 Soumyasundar Pal , Liheng Ma , Amine Natik , Yingxue Zhang , Mark Coates

Floorplans are commonly used to represent the layout of buildings. In computer aided-design (CAD) floorplans are usually represented in the form of hierarchical graph structures. Research works towards computational techniques that…

Machine Learning · Computer Science 2021-06-04 Vahid Azizi , Muhammad Usman , Honglu Zhou , Petros Faloutsos , Mubbasir Kapadia

Embedding knowledge graphs (KGs) for multi-hop logical reasoning is a challenging problem due to massive and complicated structures in many KGs. Recently, many promising works projected entities and queries into a geometric space to…

Machine Learning · Computer Science 2023-04-25 Dong Yang , Peijun Qing , Yang Li , Haonan Lu , Xiaodong Lin

Knowledge Graph Embedding (KGE) aims to represent entities and relations of knowledge graph in a low-dimensional continuous vector space. Recent works focus on incorporating structural knowledge with additional information, such as entity…

Computation and Language · Computer Science 2018-08-14 Kai Wang , Yu Liu , Xiujuan Xu , Dan Lin

Multimodal alignment is commonly learned from isolated image-text pairs via CLIP-style dual encoders, leaving the relational context among entities largely unused. Multimodal attributed graphs (MAGs), where nodes carry multimodal attributes…

Machine Learning · Computer Science 2026-05-18 Xu Wang , Xunkai Li , Yinlin Zhu , Rong-Hua Li , Guoren Wang

Assumption-Based Argumentation (ABA) is a powerful structured argumentation formalism, but exact computation of extensions under stable semantics is intractable for large frameworks. We present the first Graph Neural Network (GNN) approach…

Artificial Intelligence · Computer Science 2025-11-18 Preesha Gehlot , Anna Rapberger , Fabrizio Russo , Francesca Toni

In many structured prediction problems, complex relationships between variables are compactly defined using graphical structures. The most prevalent graphical prediction methods---probabilistic graphical models and large margin…

Machine Learning · Statistics 2018-11-08 Rizal Fathony , Ashkan Rezaei , Mohammad Ali Bashiri , Xinhua Zhang , Brian D. Ziebart