Related papers: Torch Geometric Pool: the PyTorch library for pool…

We propose a novel approach to compute the MAXCUT in attributed graphs, i.e., graphs with features associated with nodes and edges. Our approach works well on any kind of graph topology and can find solutions that jointly optimize the…

Graph neural networks (GNNs) are emerging in chemical engineering for the end-to-end learning of physicochemical properties based on molecular graphs. A key element of GNNs is the pooling function which combines atom feature vectors into…

We present "torchGDM", a numerical framework for nano-optical simulations based on the Green's Dyadic Method (GDM). This toolkit combines a hybrid approach, allowing for both fully discretized nano-structures and structures approximated by…

This paper introduces SpaPool, a novel pooling method that combines the strengths of both dense and sparse techniques for a graph neural network. SpaPool groups vertices into an adaptive number of clusters, leveraging the benefits of both…

In spite of showing unreasonable effectiveness in modalities like Text and Image, Deep Learning has always lagged Gradient Boosting in tabular data - both in popularity and performance. But recently there have been newer models created…

Graph-level representation learning is the pivotal step for downstream tasks that operate on the whole graph. The most common approach to this problem heretofore is graph pooling, where node features are typically averaged or summed to…

Recent years have witnessed the booming of various differentiable optimization algorithms. These algorithms exhibit different execution patterns, and their execution needs massive computational resources that go beyond a single CPU and GPU.…

Neural Networks are notoriously difficult to inspect. We introduce comgra, an open source python library for use with PyTorch. Comgra extracts data about the internal activations of a model and organizes it in a GUI (graphical user…

Obtaining a single-vector representation from a Large Language Model's (LLM) token-level outputs is a critical step for nearly all sentence-level tasks. However, standard pooling methods like mean or max aggregation treat tokens as an…

PyG (PyTorch Geometric) has evolved significantly since its initial release, establishing itself as a leading framework for Graph Neural Networks. In this paper, we present Pyg 2.0 (and its subsequent minor versions), a comprehensive update…

Graph Neural Networks (GNNs) have achieved strong performance across a range of graph representation learning tasks, yet their adversarial robustness in graph classification remains underexplored compared to node classification. While most…

Graph embedding methods produce unsupervised node features from graphs that can then be used for a variety of machine learning tasks. Modern graphs, particularly in industrial applications, contain billions of nodes and trillions of edges,…

The rising demand for high-performance computing (HPC) has made full-chip dynamic thermal simulation in many-core GPUs critical for optimizing performance and extending device lifespans. Proper orthogonal decomposition (POD) with Galerkin…

Neural networks that compute over graph structures are a natural fit for problems in a variety of domains, including natural language (parse trees) and cheminformatics (molecular graphs). However, since the computation graph has a different…

A key component of many graph neural networks (GNNs) is the pooling operation, which seeks to reduce the size of a graph while preserving important structural information. However, most existing graph pooling strategies rely on an…

This work generalizes graph neural networks (GNNs) beyond those based on the Weisfeiler-Lehman (WL) algorithm, graph Laplacians, and diffusions. Our approach, denoted Relational Pooling (RP), draws from the theory of finite partial…

Graph Convolutional Networks (GCNs) have shown to be effective in handling unordered data like point clouds and meshes. In this work we propose novel approaches for graph convolution, pooling and unpooling, inspired from finite differences…

Heterogeneous graph neural network has unleashed great potential on graph representation learning and shown superior performance on downstream tasks such as node classification and clustering. Existing heterogeneous graph learning networks…

Model Parsing defines the research task of predicting hyperparameters of the generative model (GM), given a generated image as input. Since a diverse set of hyperparameters is jointly employed by the generative model, and dependencies often…

Graph neural networks (GNN) has been demonstrated to be effective in classifying graph structures. To further improve the graph representation learning ability, hierarchical GNN has been explored. It leverages the differentiable pooling to…