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This is the user manual for CosmoLattice, a modern package for lattice simulations of the dynamics of interacting scalar and gauge fields in an expanding universe. CosmoLattice incorporates a series of features that makes it very versatile…

Cosmology and Nongalactic Astrophysics · Physics 2022-11-09 Daniel G. Figueroa , Adrien Florio , Francisco Torrenti , Wessel Valkenburg

Hamilton's equations are fundamental for modeling complex physical systems, where preserving key properties such as energy and momentum is crucial for reliable long-term simulations. Geometric integrators are widely used for this purpose,…

Machine Learning · Computer Science 2026-03-17 Priscilla Canizares , Davide Murari , Carola-Bibiane Schönlieb , Ferdia Sherry , Zakhar Shumaylov

Hamilton's equations of motion form a fundamental framework in various branches of physics, including astronomy, quantum mechanics, particle physics, and climate science. Classical numerical solvers are typically employed to compute the…

Machine Learning · Computer Science 2024-10-25 Priscilla Canizares , Davide Murari , Carola-Bibiane Schönlieb , Ferdia Sherry , Zakhar Shumaylov

We present SymForce, a library for fast symbolic computation, code generation, and nonlinear optimization for robotics applications like computer vision, motion planning, and controls. SymForce combines the development speed and flexibility…

This work develops a symplectic framework for quantum computing to be applied to classical Hamiltonian systems, exploiting the intrinsic geometric compatibility between unitary quantum evolution and symplectic phase-space dynamics in a…

We introduce a recent symplectic integration scheme derived for solving physically motivated systems with non-separable Hamiltonians. We show its relevance to Riemannian manifold Hamiltonian Monte Carlo (RMHMC) and provide an alternative to…

Machine Learning · Statistics 2019-10-15 Adam D. Cobb , Atılım Güneş Baydin , Andrew Markham , Stephen J. Roberts

We introduce Dimple, a fully open-source API for probabilistic modeling. Dimple allows the user to specify probabilistic models in the form of graphical models, Bayesian networks, or factor graphs, and performs inference (by automatically…

Software Engineering · Computer Science 2012-12-14 Shawn Hershey , Jeff Bernstein , Bill Bradley , Andrew Schweitzer , Noah Stein , Theo Weber , Ben Vigoda

Thresholding is the most widely used segmentation method in volumetric image processing, and its pointwise nature makes it attractive for the fast handling of large three-dimensional samples. However, global thresholds often do not properly…

Computer Vision and Pattern Recognition · Computer Science 2022-10-14 Thomas Lang , Tomas Sauer

We present Simphony, a free and open-source software toolbox for abstracting and simulating photonic integrated circuits, implemented in Python. The toolbox is both fast and easily extensible; plugins can be written to provide compatibility…

Emerging Technologies · Computer Science 2020-09-14 Sequoia Ploeg , Hyrum Gunther , Ryan M. Camacho

The mathematical theory underlying Hamiltonian mechanics is called symplectic geometry. So symplectic geometry arose from the roots of mechanics and is seen as one of the most valuable links between physics and mathematics today. Symplectic…

Symplectic Geometry · Mathematics 2024-04-02 Stefan Goessner

Many force-gradient explicit symplectic integration algorithms have been designed for the Hamiltonian $H=T (\mathbf{p})+V(\mathbf{q})$ with kinetic energy $T(\mathbf{p})=\mathbf{p}^2/2$ in the existing references. When the force-gradient…

Numerical Analysis · Mathematics 2021-11-10 Lina Zhang , Xin Wu , Enwei Liang

In recent decades, there have been many attempts to construct symplectic integrators with variable time steps, with rather disappointing results. In this paper we identify the causes for this lack of performance, and find that they fall…

Computational Physics · Physics 2015-05-30 A S Richardson , J M Finn

We introduce synax, a novel library for automatically differentiable simulation of Galactic synchrotron emission. Built on the JAX framework, synax leverages JAX's capabilities, including batch acceleration, just-in-time compilation, and…

Instrumentation and Methods for Astrophysics · Physics 2025-03-26 Kangning Diao , Zack Li , Richard D. P. Grumitt , Yi Mao

Multi-sensor fusion is crucial for improving the performance and robustness of end-to-end autonomous driving systems. Existing methods predominantly adopt either attention-based flatten fusion or bird's eye view fusion through geometric…

Robotics · Computer Science 2025-10-29 Shuai Liu , Quanmin Liang , Zefeng Li , Boyang Li , Kai Huang

A complete and rigorously validated open-source Python framework to automate point defect calculations using density functional theory has been developed. The framework provides an effective and efficient method for defect structure…

Materials Science · Physics 2021-04-01 Anuj Goyal , Prashun Gorai , Haowei Peng , Stephan Lany , Vladan Stevanovic

We present SOPHY, a generative model for 3D physics-aware shape synthesis. Unlike existing 3D generative models that focus solely on static geometry or 4D models that produce physics-agnostic animations, our method jointly synthesizes…

Graphics · Computer Science 2025-08-12 Junyi Cao , Evangelos Kalogerakis

Density Functional Theory (DFT) is the de facto workhorse for large-scale electronic structure calculations in chemistry and materials science. While plane-wave DFT implementations remain the most widely used, real-space DFT provides…

We introduce a convergent finite difference method for solving the optimal transportation problem on the sphere. The method applies to both the traditional squared geodesic cost (arising in mesh generation) and a logarithmic cost (arising…

Numerical Analysis · Mathematics 2021-05-11 Brittany Froese Hamfeldt , Axel G. R. Turnquist

PySCF is a general-purpose electronic structure platform designed from the ground up to emphasize code simplicity, both to aid new method development, as well as for flexibility in computational workflow. The package provides a wide range…

A large part of modern machine learning theory often involves computing the high-dimensional expected trace of a rational expression of large rectangular random matrices. To symbolically compute such quantities using free probability…

Machine Learning · Computer Science 2025-04-16 Arjun Subramonian , Elvis Dohmatob