相关论文: $\xi$-torch: differentiable scientific computing l…

Robotic systems are often complex and depend on the integration of a large number of software components. One important component in robotic systems provides the calculation of forward kinematics, which is required by both motion-planning…

Modern LLMs typically require multistage training pipelines to achieve strong downstream performance, with post-training serving as the main interface for adapting open-weight models. We introduce torchtune, a PyTorch-native library…

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…

In this paper, we introduce ChemicalX, a PyTorch-based deep learning library designed for providing a range of state of the art models to solve the drug pair scoring task. The primary objective of the library is to make deep drug pair…

Deep reinforcement learning can generate complex control policies, but requires large amounts of training data to work effectively. Recent work has attempted to address this issue by leveraging differentiable simulators. However, inherent…

Physics-informed machine learning uses governing ordinary and/or partial differential equations to train neural networks to represent the solution field. Like any machine learning problem, the choice of activation function influences the…

The rapid growth in the size of deep learning models strains the capabilities of traditional dense computation paradigms. Leveraging sparse computation has become increasingly popular for training and deploying large-scale models, but…

Differentiable physics is a powerful approach to learning and control problems that involve physical objects and environments. While notable progress has been made, the capabilities of differentiable physics solvers remain limited. We…

Density Functional Theory (DFT) is widely used for first-principles simulations in chemistry and materials science, but its computational cost remains a key limitation for large systems. Motivated by recent advances in ML-based…

We present Theseus, an efficient application-agnostic open source library for differentiable nonlinear least squares (DNLS) optimization built on PyTorch, providing a common framework for end-to-end structured learning in robotics and…

Simulation is essential for developing quantum hardware and algorithms. However, simulating quantum circuits on classical hardware is challenging due to the exponential scaling of quantum state space. While factorized tensors can greatly…

This work presents Kornia, an open source computer vision library built upon a set of differentiable routines and modules that aims to solve generic computer vision problems. The package uses PyTorch as its main backend, not only for…

We present Brax, an open source library for rigid body simulation with a focus on performance and parallelism on accelerators, written in JAX. We present results on a suite of tasks inspired by the existing reinforcement learning…

Physics-based simulations typically operate with a combination of complex differentiable equations and many scientific and geometric inputs. Our work involves gathering data from those simulations and seeing how well tree-based machine…

Differentiable sparse linear algebra is foundational for scientific machine learning, yet PyTorch lacks a unified library for it: \texttt{torch.sparse} provides only low-level kernels and a non-differentiable, CPU-only \texttt{spsolve}, and…

The capability to transfer mastered skills to accomplish a range of similar yet novel tasks is crucial for intelligent robots. In this work, we introduce $\textit{Diff-Transfer}$, a novel framework leveraging differentiable physics…

Simulating physical systems is a core component of scientific computing, encompassing a wide range of physical domains and applications. Recently, there has been a surge in data-driven methods to complement traditional numerical simulations…

Optimization time integrators are effective at solving complex multi-physics problems including deformable solids with non-linear material models, contact with friction, strain limiting, etc. For challenging problems, Newton-type optimizers…

Decision tree ensembles are widely used and competitive learning models. Despite their success, popular toolkits for learning tree ensembles have limited modeling capabilities. For instance, these toolkits support a limited number of loss…

The traditional foundation of science lies on the cornerstones of theory and experiment. Theory is used to explain experiment, which in turn guides the development of theory. Since the advent of computers and the development of…