相关论文: On Graph Neural Network Ensembles for Large-Scale …

Heterogeneous Graphs (HGs) effectively model complex relationships in the real world through multi-type nodes and edges. In recent years, inspired by self-supervised learning (SSL), contrastive learning (CL)-based Heterogeneous Graphs…

Graphs are a powerful data structure to represent relational data and are widely used to describe complex real-world data structures. Probabilistic Graphical Models (PGMs) have been well-developed in the past years to mathematically model…

Computational cognitive models, which formalize theories of cognition, enable researchers to quantify cognitive processes and arbitrate between competing theories by fitting models to behavioral data. Traditionally, these models are…

This study presents a new deep learning framework, combining Spatio-Temporal Graph Convolutional Network (STGCN) with a Large Language Model (LLM), for bike demand forecasting. Addressing challenges in transforming discrete datasets and…

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…

Existing benchmarks like NLGraph and GraphQA evaluate LLMs on graphs by focusing mainly on pairwise relationships, overlooking the high-order correlations found in real-world data. Hypergraphs, which can model complex beyond-pairwise…

Probabilistic graphical models (PGMs) provide a compact and flexible framework to model very complex real-life phenomena. They combine the probability theory which deals with uncertainty and logical structure represented by a graph which…

Graph networks are a new machine learning (ML) paradigm that supports both relational reasoning and combinatorial generalization. Here, we develop universal MatErials Graph Network (MEGNet) models for accurate property prediction in both…

Recent advances in Large Language Models (LLMs) have shown promise in function-level code generation, yet repository-level software engineering tasks remain challenging. Current solutions predominantly rely on proprietary LLM agents, which…

In neuroscience, researchers seek to uncover the connectivity of neurons from large-scale neural recordings or imaging; often people employ graphical model selection and estimation techniques for this purpose. But, existing technologies can…

Current statistical models for structured prediction make simplifying assumptions about the underlying output graph structure, such as assuming a low-order Markov chain, because exact inference becomes intractable as the tree-width of the…

The recent development of high-throughput sequencing creates a large collection of multi-omics data, which enables researchers to better investigate cancer molecular profiles and cancer taxonomy based on molecular subtypes. Integrating…

Machine learning (ML) based materials discovery has emerged as one of the most promising approaches for breakthroughs in materials science. While heuristic knowledge based descriptors have been combined with ML algorithms to achieve good…

Multi-Label Image Classification (MLIC) aims to predict a set of labels that present in an image. The key to deal with such problem is to mine the associations between image contents and labels, and further obtain the correct assignments…

Graph neural networks have recently become a standard method for analysing chemical compounds. In the field of molecular property prediction, the emphasis is now put on designing new model architectures, and the importance of atom…

Existing approaches to the crime prediction problem are unsuccessful in expressing the details since they assign the probability values to large regions. This paper introduces a new architecture with the graph convolutional networks (GCN)…

This article compares ten recently proposed neural networks and proposes two ensemble neural network-based models for blood glucose prediction. All of them are tested under the same dataset, preprocessing workflow, and tools using the…

Leveraging Large Language Models (LLMs) for Knowledge Graph Completion (KGC) is promising but hindered by a fundamental granularity mismatch. LLMs operate on fragmented token sequences, whereas entities are the fundamental units in…

We present a novel approach to tackle explainability of deep graph networks in the context of molecule property prediction tasks, named MEG (Molecular Explanation Generator). We generate informative counterfactual explanations for a…

Accurate prediction of physical properties is critical for discovering and designing novel materials. Machine learning technologies have attracted significant attention in the materials science community for their potential for large-scale…