Related papers: McTorch, a manifold optimization library for deep …

The growing popularity of generative flow networks (GFlowNets or GFNs) from a range of researchers with diverse backgrounds and areas of expertise necessitates a library that facilitates the testing of new features (e.g., training losses…

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…

Automatic differentiation (AD) frameworks such as JAX and PyTorch have enabled gradient-based optimization for a wide range of scientific fields. Yet, many "hard" primitives in these libraries such as thresholding, Boolean logic, discrete…

magnum.np is a micromagnetic finite-difference library completely based on the tensor library PyTorch. The use of such a high level library leads to a highly maintainable and extensible code base which is the ideal candidate for the…

When engineers train deep learning models, they are very much 'flying blind'. Commonly used methods for real-time training diagnostics, such as monitoring the train/test loss, are limited. Assessing a network's training process solely…

Continual learning enables AI systems to acquire new knowledge while retaining previously learned information. While traditional unimodal methods have made progress, the rise of Multimodal Large Language Models (MLLMs) brings new challenges…

We introduce DeepDIVA: an infrastructure designed to enable quick and intuitive setup of reproducible experiments with a large range of useful analysis functionality. Reproducing scientific results can be a frustrating experience, not only…

State-of-the-art deep learning systems such as TensorFlow and PyTorch tightly couple the model with the underlying hardware. This coupling requires the user to modify application logic in order to run the same job across a different set of…

Manifold learning builds on the "manifold hypothesis," which posits that data in high-dimensional datasets are drawn from lower-dimensional manifolds. Current tools generate global embeddings of data, rather than the local maps used to…

Manifold optimization appears in a wide variety of computational problems in the applied sciences. In recent statistical methodologies such as sufficient dimension reduction and regression envelopes, estimation relies on the optimization of…

DeepLog is an operational neurosymbolic framework that unifies logic and deep learning within standard PyTorch workflows. While existing neurosymbolic systems focus on a particular paradigm and semantics, DeepLog serves as a universal…

Convex optimization is an essential tool for machine learning, as many of its problems can be formulated as minimization problems of specific objective functions. While there is a large variety of algorithms available to solve convex…

Linear algebra operations, which are ubiquitous in machine learning, form major performance bottlenecks. The High-Performance Computing community invests significant effort in the development of architecture-specific optimized kernels, such…

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…

Throughout the last years, machine learning techniques have been broadly encouraged in the context of deep learning architectures. An exciting algorithm denoted as Restricted Boltzmann Machine relies on energy- and probabilistic-based…

We present DeepAL, a Python library that implements several common strategies for active learning, with a particular emphasis on deep active learning. DeepAL provides a simple and unified framework based on PyTorch that allows users to…

The alarming decline in global biodiversity, driven by various factors, underscores the urgent need for large-scale wildlife monitoring. In response, scientists have turned to automated deep learning methods for data processing in wildlife…

Artificial Intelligence (AI) is having a tremendous impact across most areas of science. Applications of AI in healthcare have the potential to improve our ability to detect, diagnose, prognose, and intervene on human disease. For AI models…

The inapplicability of amino acid covariation methods to small protein families has limited their use for structural annotation of whole genomes. Recently, deep learning has shown promise in allowing accurate residue-residue contact…

We explore different approaches to integrating a simple convolutional neural network (CNN) with the Lucene search engine in a multi-stage ranking architecture. Our models are trained using the PyTorch deep learning toolkit, which is…