Related papers: Fast Graph Representation Learning with PyTorch Ge…

Advances in deep learning models have revolutionized the study of biomolecule systems and their mechanisms. Graph representation learning, in particular, is important for accurately capturing the geometric information of biomolecules at…

This work presents TorchRadon -- an open source CUDA library which contains a set of differentiable routines for solving computed tomography (CT) reconstruction problems. The library is designed to help researchers working on CT problems to…

This paper proposes OpenPARF, an open-source placement and routing framework for large-scale FPGA designs. OpenPARF is implemented with the deep learning toolkit PyTorch and supports massive parallelization on GPU. The framework proposes a…

This work introduces CTorch, a PyTorch-compatible, GPU-accelerated, and auto-differentiable projector toolbox designed to handle various CT geometries with configurable projector algorithms. CTorch provides flexible scanner geometry…

In this paper, we introduce MCTensor, a library based on PyTorch for providing general-purpose and high-precision arithmetic for DL training. MCTensor is used in the same way as PyTorch Tensor: we implement multiple basic, matrix-level…

The problem of identifying geometric structure in data is a cornerstone of (unsupervised) learning. As a result, Geometric Representation Learning has been widely applied across scientific and engineering domains. In this work, we…

With the growing significance of graphs as an effective representation of data in numerous applications, efficient graph analysis using modern machine learning is receiving a growing level of attention. Deep learning approaches often…

In this work, we present a general purpose deep neural network package for representing energies, forces, dipole moments, and polarizabilities of atomistic systems. This so-called recursively embedded atom neural network model takes both…

Deep learning algorithms have made many breakthroughs and have various applications in real life. Computational resources become a bottleneck as the data and complexity of the deep learning pipeline increases. In this paper, we propose…

Heterogeneous graphs offer powerful data representations for traffic, given their ability to model the complex interaction effects among a varying number of traffic participants and the underlying road infrastructure. With the recent advent…

Research on graph representation learning has received a lot of attention in recent years since many data in real-world applications come in form of graphs. High-dimensional graph data are often in irregular form, which makes them more…

The recent rise of deep learning has led to numerous applications, including solving partial differential equations using Physics-Informed Neural Networks. This approach has proven highly effective in several academic cases. However, their…

Torch Geometric Pool (tgp) is a pooling library built on top of PyTorch Geometric. Graph pooling methods differ in how they assign nodes to supernodes, how they handle batches, what they return after pooling, and whether they expose…

Graph representation learning aims to effectively encode high-dimensional sparse graph-structured data into low-dimensional dense vectors, which is a fundamental task that has been widely studied in a range of fields, including machine…

In this work, we present {\ae}net-PyTorch, a PyTorch-based implementation for training artificial neural network-based machine learning interatomic potentials. Developed as an extension of the atomic energy network ({\ae}net),…

Low-precision training reduces computational cost and produces efficient models. Recent research in developing new low-precision training algorithms often relies on simulation to empirically evaluate the statistical effects of quantization…

Sparse matrix representations are ubiquitous in computational science and machine learning, leading to significant reductions in compute time, in comparison to dense representation, for problems that have local connectivity. The adoption of…

Hyperbolic geometry has emerged as an effective latent space for representing complex networks, owing to its ability to capture hierarchical organization and heterogeneous connectivity patterns using low-dimensional embeddings. As a result,…

Probabilistic graphical models (PGMs) serve as a powerful framework for modeling complex systems with uncertainty and extracting valuable insights from data. However, users face challenges when applying PGMs to their problems in terms of…

We propose PyTorchGeoNodes, a differentiable module for reconstructing 3D objects and their parameters from images using interpretable shape programs. Unlike traditional CAD model retrieval, shape programs allow reasoning about semantic…