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Current Graph Neural Networks (GNN) architectures generally rely on two important components: node features embedding through message passing, and aggregation with a specialized form of pooling. The structural (or topological) information…

Machine Learning · Computer Science 2022-06-01 Cédric Vincent-Cuaz , Rémi Flamary , Marco Corneli , Titouan Vayer , Nicolas Courty

Probabilistic graphical models (PGMs) are widely used to discover latent structure in data, but their success hinges on selecting an appropriate model design. In practice, model specification is difficult and often requires iterative…

Machine Learning · Computer Science 2026-04-08 Kevin Zhang , Yixin Wang

This study proposes an unsupervised anomaly detection method for distributed backend service systems, addressing practical challenges such as complex structural dependencies, diverse behavioral evolution, and the absence of labeled data.…

Machine Learning · Computer Science 2025-08-14 Yun Zi , Ming Gong , Zhihao Xue , Yujun Zou , Nia Qi , Yingnan Deng

The rise of graph-structured data has driven major advances in Graph Machine Learning (GML), where graph embeddings (GEs) map features from Knowledge Graphs (KGs) into vector spaces, enabling tasks like node classification and link…

Machine Learning · Computer Science 2026-01-27 Rosario Napoli , Gabriele Morabito , Antonio Celesti , Massimo Villari , Maria Fazio

Neural forecasting of spatiotemporal time series drives both research and industrial innovation in several relevant application domains. Graph neural networks (GNNs) are often the core component of the forecasting architecture. However, in…

Machine Learning · Computer Science 2023-02-21 Andrea Cini , Ivan Marisca , Filippo Maria Bianchi , Cesare Alippi

We introduce a novel approach to graph-level representation learning, which is to embed an entire graph into a vector space where the embeddings of two graphs preserve their graph-graph proximity. Our approach, UGRAPHEMB, is a general…

Machine Learning · Computer Science 2019-06-04 Yunsheng Bai , Hao Ding , Yang Qiao , Agustin Marinovic , Ken Gu , Ting Chen , Yizhou Sun , Wei Wang

Determining atomistic structures from characterization data is one of the most common yet intricate problems in materials science. Particularly in amorphous materials, proposing structures that balance realism and agreement with experiments…

Disordered Systems and Neural Networks · Physics 2026-03-25 Jiawei Guo , Daniel Schwalbe-Koda

Graph Neural Networks (GNN) can capture the geometric properties of neural representations in EEG data. Here we utilise those to study how reinforcement-based motor learning affects neural activity patterns during motor planning, leveraging…

Machine Learning · Computer Science 2024-11-01 Federico Nardi , Jinpei Han , Shlomi Haar , A. Aldo Faisal

We introduce a graph-aware autoencoder ensemble framework, with associated formalisms and tooling, designed to facilitate deep learning for scholarship in the humanities. By composing sub-architectures to produce a model isomorphic to a…

Machine Learning · Computer Science 2024-01-02 Tom Lippincott

This paper introduces the open-source framework, GIRA, which implements fundamental robotics algorithms for reconstruction, pose estimation, and occupancy modeling using compact generative models. Compactness enables perception in the large…

Robotics · Computer Science 2024-04-18 Kshitij Goel , Wennie Tabib

Graph embedding provides an efficient solution for graph analysis by converting the graph into a low-dimensional space which preserves the structure information. In contrast to the graph structure data, the i.i.d. node embedding can be…

Machine Learning · Computer Science 2017-05-16 Hongyun Cai , Vincent W. Zheng , Kevin Chen-Chuan Chang

A key to knowledge graph embedding (KGE) is to choose a proper representation space, e.g., point-wise Euclidean space and complex vector space. In this paper, we propose a unified perspective of embedding and introduce uncertainty into KGE…

Machine Learning · Computer Science 2024-10-01 Changyi Xiao , Xiangnan He , Yixin Cao

The graph-based variational autoencoder represents an architecture that can handle the uncertainty of different geological scenarios, such as depositional or structural, through the concept of a lowerdimensional latent space. The main…

Applications · Statistics 2025-07-15 Gleb Shishaev , Vasily Demyanov , Daniel Arnold

Machine learning (ML) methods have drawn significant interest in material design and discovery. Graph neural networks (GNNs), in particular, have demonstrated strong potential for predicting material properties. The present study proposes a…

While Language Models (LMs) are the workhorses of NLP, their interplay with structured knowledge graphs (KGs) is still actively researched. Current methods for encoding such graphs typically either (i) linearize them for embedding with LMs…

Computation and Language · Computer Science 2024-06-04 Moritz Plenz , Anette Frank

In this paper, we introduce a post-hoc and local explainable AI method tailored for Knowledge Graph Embedding (KGE) models. These models are essential to Knowledge Graph Completion yet criticized for their opaque, black-box nature. Despite…

Artificial Intelligence · Computer Science 2025-05-08 Christoph Wehner , Chrysa Iliopoulou , Ute Schmid , Tarek R. Besold

Intrinsic interpretability of graph neural networks (GNNs) is to find a small subset of the input graph's features -- rationale -- which guides the model prediction. Unfortunately, the leading rationalization models often rely on data…

Machine Learning · Computer Science 2022-02-01 Ying-Xin Wu , Xiang Wang , An Zhang , Xiangnan He , Tat-Seng Chua

Knowledge Graphs (KGs) have gained considerable attention recently from both academia and industry. In fact, incorporating graph technology and the copious of various graph datasets have led the research community to build sophisticated…

Artificial Intelligence · Computer Science 2020-06-03 Bilal Abu-Salih , Marwan Al-Tawil , Ibrahim Aljarah , Hossam Faris , Pornpit Wongthongtham

The Population-Based Structural Health Monitoring (PBSHM) paradigm has recently emerged as a promising approach to enhance data-driven assessment of engineering structures by facilitating transfer learning between structures with some…

Computational Engineering, Finance, and Science · Computer Science 2025-09-17 Xudong Jian , Yutong Xia , Gregory Duthé , Kiran Bacsa , Wei Liu , Eleni Chatzi

Knowledge graph reasoning (KGR), aiming to deduce new facts from existing facts based on mined logic rules underlying knowledge graphs (KGs), has become a fast-growing research direction. It has been proven to significantly benefit the…

Artificial Intelligence · Computer Science 2024-10-28 Ke Liang , Lingyuan Meng , Meng Liu , Yue Liu , Wenxuan Tu , Siwei Wang , Sihang Zhou , Xinwang Liu , Fuchun Sun