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The orchestration of agents to optimize a collective objective without centralized control is challenging yet crucial for applications such as controlling autonomous fleets, and surveillance and reconnaissance using sensor networks.…

Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…

Graph matching is a commonly used technique in computer vision and pattern recognition. Recent data-driven approaches have improved the graph matching accuracy remarkably, whereas some traditional algorithm-based methods are more robust to…

Graph neural networks (GNNs) have been applied to a large variety of applications in materials science and chemistry. Here, we recapitulate the graph construction for crystalline (periodic) materials and investigate its impact on the GNNs…

In this work we design graph neural network architectures that capture optimal approximation algorithms for a large class of combinatorial optimization problems, using powerful algorithmic tools from semidefinite programming (SDP).…

Recent advances in Graph Neural Networks (GNNs) have explored the potential of random noise as an input feature to enhance expressivity across diverse tasks. However, naively incorporating noise can degrade performance, while architectures…

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved superior performance in tasks such as node classification. However, analyzing heterogeneous graph of different types of nodes and links…

This paper presents a novel framework combining group equivariant convolutional neural networks (G-CNNs) with equivariant-aware structured pruning to produce compact, transformation-invariant models for resource-constrained environments.…

Agglomeration-based strategies are important both within adaptive refinement algorithms and to construct scalable multilevel algebraic solvers. In order to automatically perform agglomeration of polygonal grids, we propose the use of…

The scalable solution of large sparse linear systems is a bottleneck in scientific computing and graph analysis. While algebraic multigrid (AMG) offers optimal linear scaling, its performance is severely constrained by the trade-off between…

In this work, we propose to employ information-geometric tools to optimize a graph neural network architecture such as the graph convolutional networks. More specifically, we develop optimization algorithms for the graph-based…

Despite the stride made by machine learning (ML) based performance modeling, two major concerns that may impede production-ready ML applications in EDA are stringent accuracy requirements and generalization capability. To this end, we…

Graph Neural Networks (GNNs) have shown superior performance in node classification. However, GNNs perform poorly in the Few-Shot Node Classification (FSNC) task that requires robust generalization to make accurate predictions for unseen…

The similarity of graph structures, such as Meaning Representations (MRs), is often assessed via structural matching algorithms, such as Smatch (Cai and Knight, 2013). However, Smatch involves a combinatorial problem that suffers from…

Equivariant Graph Neural Networks (eGNNs) trained on density-functional theory (DFT) data can potentially perform electronic structure prediction at unprecedented scales, enabling investigation of the electronic properties of materials with…

While (message-passing) graph neural networks have clear limitations in approximating permutation-equivariant functions over graphs or general relational data, more expressive, higher-order graph neural networks do not scale to large…

In mathematical optimization, second-order Newton's methods generally converge faster than first-order methods, but they require the inverse of the Hessian, hence are computationally expensive. However, we discover that on sparse graphs,…

Automated data augmentation has shown superior performance in image recognition. Existing works search for dataset-level augmentation policies without considering individual sample variations, which are likely to be sub-optimal. On the…

Graph neural networks (GNNs) are widely used for learning on graph datasets derived from various real-world scenarios. Learning from extremely large graphs requires distributed training, and mini-batching with sampling is a popular approach…

Graph Neural Networks (GNNs) are powerful techniques in representation learning for graphs and have been increasingly deployed in a multitude of different applications that involve node- and graph-wise tasks. Most existing studies solve…