We introduce PyTorch Geometric, a library for deep learning on irregularly structured input data such as graphs, point clouds and manifolds, built upon PyTorch. In addition to general graph data structures and processing methods, it contains a variety of recently published methods from the domains of relational learnin…
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48 results for “PyTorch Geometric”
PyTorch Frame simplifies multi-modal tabular learning with modular data and model handling.
problem Handling complex multi-modal tabular data in deep learning.
method A PyTorch-based framework that provides a data structure, model abstraction, and integration with external models.
result Demonstrated the effectiveness of PyTorch Frame in implementing and applying diverse tabular models to complex multi-modal tabular data.
PyTorch Geometric Signed Directed fills the gap for GNNs on signed and directed graphs.
problem Lack of unified software packages for GNNs on signed and directed networks.
method Developed a software package with GNN models, synthetic and real-world data, and evaluation metrics.
result Demonstrates the effectiveness of the implemented methods through experiments.
torchsom simplifies SOMs in PyTorch with GPU acceleration and scikit-learn API.
problem Efficient implementation and usability of SOMs in PyTorch.
method PyTorch backend, GPU acceleration, scikit-learn API, 90% test coverage.
result Ease of use and scalability for SOMs in PyTorch.
In this report, we review the calculation of entropy-regularised Wasserstein loss introduced by Cuturi and document a practical implementation in PyTorch. Code is available at https://github.com/t-vi/pytorch-tvmisc/blob/master/wasserstein-distance/Pytorch_Wasserstein.ipynb
Auto-PyTorch automates deep learning by optimizing neural architectures and hyperparameters.
problem Automated deep learning for tabular data with robust and efficient optimization.
method Combines multi-fidelity optimization, portfolio construction, and warmstarting with ensembling.
result Achieves state-of-the-art performance on tabular benchmarks.
Tiered latent representations and latent spaces for molecular graphs provide a simple but effective way to explicitly represent and utilize groups (e.g., functional groups), which consist of the atom (node) tier, the group tier and the molecule (graph) tier. They can be learned using the tiered graph autoencoder archit…
DeepRobust is a PyTorch library for adversarial attacks and defenses.
problem Addressing adversarial attacks and defenses in deep learning.
method Contains over 20 attack and defense algorithms for various deep learning architectures.
result Fosters research in adversarial learning with comprehensive and easy-to-use platform.
Deep learning frameworks have often focused on either usability or speed, but not both. PyTorch is a machine learning library that shows that these two goals are in fact compatible: it provides an imperative and Pythonic programming style that supports code as a model, makes debugging easy and is consistent with other …
SchNetPack 2.0 enhances atomistic machine learning with improved neural networks.
problem Improving atomistic machine learning methods and applications.
method Improved data pipeline, equivariant neural networks, PyTorch implementation, PyTorch Lightning, Hydra configuration framework.
result Easy extension and complex training tasks support.
PyTorch adds tools for pruning neural networks.
problem Model size and resource constraints in machine learning.
method Pruning techniques to reduce model size and capacity.
result Facilitates adoption of pruning in PyTorch.
TyXe enables flexible Bayesian neural networks in Pytorch.
problem Uncertainty estimation in neural networks.
method Separates architecture, prior, inference, and likelihood specification; modular choices for priors, guides, and inference techniques.
result Minimal modifications to existing code for Bayesian neural networks.
The constant introduction of standardized benchmarks in the literature has helped accelerating the recent advances in meta-learning research. They offer a way to get a fair comparison between different algorithms, and the wide range of datasets available allows full control over the complexity of this evaluation. Howev…
TorchBeast is a platform for reinforcement learning (RL) research in PyTorch. It implements a version of the popular IMPALA algorithm for fast, asynchronous, parallel training of RL agents. Additionally, TorchBeast has simplicity as an explicit design goal: We provide both a pure-Python implementation ("MonoBeast") as …
TorchGAN is a PyTorch based framework for writing succinct and comprehensible code for training and evaluation of Generative Adversarial Networks. The framework's modular design allows effortless customization of the model architecture, loss functions, training paradigms, and evaluation metrics. The key features of Tor…
A scalable PyTorch framework for non-crossing quantile regression.
problem Non-crossing quantile regression to avoid impossible negative probability densities.
method CJQR-ALM combining Augmented Lagrangian Method, differentiable pinball loss, and L-BFGS optimization.
result Achieves near-zero crossing rates on large datasets within minutes.
advertorch is a toolbox for adversarial robustness research. It contains various implementations for attacks, defenses and robust training methods. advertorch is built on PyTorch (Paszke et al., 2017), and leverages the advantages of the dynamic computational graph to provide concise and efficient reference implementat…
The integration of artificial intelligence capabilities into modern software systems is increasingly being simplified through the use of cloud-based machine learning services and representational state transfer architecture design. However, insufficient information regarding underlying model provenance and the lack of …
Captum library simplifies model interpretability for PyTorch.
problem Improving model interpretability for various PyTorch models.
method Unified, open-source library with generic attribution algorithms and metrics.
result Unified and scalable model interpretability for multimodal inputs.
EagerPy simplifies writing code for multiple deep learning frameworks.
problem Code duplication and framework lock-in when using different deep learning libraries.
method Integrates multiple frameworks into a single Python framework.
result Automatic compatibility across PyTorch, TensorFlow, JAX, and NumPy.
Researchers compare two GAN models for lip-synchronization tasks.
problem Improving the quality of generated lip-sync videos.
method Reimplemented and trained two GAN models (LipGAN and L1WGAN-GP) on the GRID dataset.
result L1WGAN-GP outperformed LipGAN in generating more realistic lip-sync videos.
UncertaintyPlayground simplifies uncertainty estimation in Python.
problem Uncertainty estimation in supervised learning tasks.
method Sparse and Variational Gaussian Process Regressions for normally distributed outcomes, Mixed Density Networks for mixed distributions.
result Fast and simplified uncertainty estimation through Python library.
WeSpeR speeds up non-linear shrinkage for high-dimensional weighted covariance.
problem Computing non-linear shrinkage formulas for high-dimensional weighted sample covariance.
method Derive extit{WeSpeR} algorithm using asymptotic sample spectrum properties.
result Significantly speeds up non-linear shrinkage in dimensions higher than 1000.
This study provides benchmarks for different implementations of LSTM units between the deep learning frameworks PyTorch, TensorFlow, Lasagne and Keras. The comparison includes cuDNN LSTMs, fused LSTM variants and less optimized, but more flexible LSTM implementations. The benchmarks reflect two typical scenarios for au…
BayesDLL offers a PyTorch library for Bayesian deep learning with large models.
problem Bayesian inference for large-scale deep networks.
method Variational inference, MC-dropout, stochastic-gradient MCMC, Laplace approximation.
result BayesDLL can handle Vision Transformers and pre-trained model weights as priors.
We introduce torchbearer, a model fitting library for pytorch aimed at researchers working on deep learning or differentiable programming. The torchbearer library provides a high level metric and callback API that can be used for a wide range of applications. We also include a series of built in callbacks that can be u…
In this paper, we introduce McTorch, a manifold optimization library for deep learning that extends PyTorch. It aims to lower the barrier for users wishing to use manifold constraints in deep learning applications, i.e., when the parameters are constrained to lie on a manifold. Such constraints include the popular orth…
DELIMIT is a framework extension for deep learning in diffusion imaging, which extends the basic framework PyTorch towards spherical signals. Based on several novel layers, deep learning can be applied to spherical diffusion imaging data in a very convenient way. First, two spherical harmonic interpolation layers are a…
PyKale bridges interdisciplinary ML with Python, enabling accurate predictions.
problem Cross-disciplinary barriers in machine learning.
method Knowledge-aware machine learning on graphs, images, texts, and videos.
result Enables multimodal learning and transfer learning with latest deep learning models.
In this paper, we implement the Stochastic Damped LBFGS (SdLBFGS) for stochastic non-convex optimization. We make two important modifications to the original SdLBFGS algorithm. First, by initializing the Hessian at each step using an identity matrix, the algorithm converges better than original algorithm. Second, by pe…
PoPPy is a Point Process toolbox based on PyTorch, which achieves flexible designing and efficient learning of point process models. It can be used for interpretable sequential data modeling and analysis, e.g., Granger causality analysis of multi-variate point processes, point process-based simulation and prediction of…
Framework for pricing waterfall structures using simulation and uncertainty modeling.
problem Pricing complex structured finance instruments under uncertainty.
method Simulation-based uncertainty modeling, calibrated probability distributions, PyTorch implementation, Adjoint Algorithmic Differentiation (AAD).
result Efficient gradient computation for risk sensitivity analysis and optimization.
Contextualized ML learns context-dependent effects using deep learning.
problem Learning heterogeneous and context-dependent effects in data.
method Applying deep learning to the meta-relationship between contextual information and context-specific parametric models.
result Unified framework for cluster analysis and cohort modeling.
The paper proposes a deep learning approach to efficiently approximate diffeomorphisms for shape alignment.
problem Finding optimal reparameterizations of shapes for computing geodesic distances.
method The authors develop a neural network-based algorithm to construct approximations of diffeomorphisms using PyTorch.
result The proposed method achieves universal approximation properties and bounds on Lipschitz constants for the constructed diffeomorphisms.
pySigLib speeds up signature-based computations on CPUs and GPUs.
problem Efficient signature-based computations on large datasets and long sequences.
method Optimised Python library for CPU and GPU, novel differentiation scheme.
result Accurate gradients at a fraction of the runtime of existing libraries.
Newton Raphson Emulation Network for Highly Efficient Computation of Numerous Implied Volatilitiesq-fin.CP
A deep learning model speeds up computation of numerous implied volatilities.
problem Frequent computation of numerous implied volatilities using iteration methods like Newton-Raphson reaches processing speed limits.
method Emulated Newton-Raphson method using PyTorch and optimized with TensorRT.
result Up to 1,000 times faster than a benchmark implementation of Newton-Raphson.
Unsupervised learning of disentangled representations is an open problem in machine learning. The Disentanglement-PyTorch library is developed to facilitate research, implementation, and testing of new variational algorithms. In this modular library, neural architectures, dimensionality of the latent space, and the tra…
Particle identification in ground-based gamma-ray astronomy using convolutional neural networksastro-ph.IM
Modern detectors of cosmic gamma-rays are a special type of imaging telescopes (air Cherenkov telescopes) supplied with cameras with a relatively large number of photomultiplier-based pixels. For example, the camera of the TAIGA-IACT telescope has 560 pixels of hexagonal structure. Images in such cameras can be analyse…
Hyperparameter tuning is a bothersome step in the training of deep learning models. One of the most sensitive hyperparameters is the learning rate of the gradient descent. We present the 'All Learning Rates At Once' (Alrao) optimization method for neural networks: each unit or feature in the network gets its own learni…
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, which exceeds the capability of existing embedding systems. We present PyTorch-B…
Training neural networks under physical constraints using a stochastic augmented Lagrangian approachphysics.comp-ph
Stochastic approach improves neural network training for kinetic simulations.
problem Training neural networks under physical constraints in kinetic fusion simulations.
method Stochastic augmented Lagrangian approach using pyTorch.
result Higher model prediction accuracy achieved compared to fixed penalty method.
PrototypeML simplifies neural network design and development.
problem Error-prone code and time-consuming model design.
method Visual interface for neural networks, abstracting PyTorch.
result Reduces model design and development time, easier debugging.
Proposes Learnergy, a Python framework for energy-based machine learning.
problem Lack of research and implementations around energy-based systems.
method Built upon PyTorch, Learnergy provides a more friendly environment and faster prototyping.
result Learnergy speeds up computational time using CUDA.
Probabilistic programming languages (PPLs) are receiving widespread attention for performing Bayesian inference in complex generative models. However, applications to science remain limited because of the impracticability of rewriting complex scientific simulators in a PPL, the computational cost of inference, and the …
Catalyst.RL accelerates RL research with efficient training.
problem Efficient reinforcement learning training in complex environments.
method Open-source PyTorch framework with distributed training and RL algorithms.
result Catalyst.RL achieved 2nd place in a computationally expensive RL challenge.
Orthogonium offers unified, efficient layers for robust deep learning.
problem Fragmented and computationally demanding implementations of orthogonal and 1-Lipschitz layers.
method Unified, efficient PyTorch library providing orthogonal and 1-Lipschitz layers.
result Reduced overhead and standardized tools for robust experimentation.
New gradient estimator improves training for normalizing flows.
problem Training normalizing flows for complex models.
method Developed a new gradient estimator for Stochastic Gradient Descent.
result Significantly faster and more precise training for φ^4 model.
Linear algebra approach for parallel deep learning models.
problem Training large DNNs in distributed environments.
method Linear algebraic approach to model parallelism.
result Manual development of backward operators for gradient-based training.