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Quantum Monte Carlo (QMC) methods deliver highly accurate electronic structure calculations but are computationally intensive. The quantum Monte Carlo kernel library (QMCkl) provides a modular, portable collection of high-performance…
Monte Carlo simulation studies are at the core of the modern applied, computational, and theoretical statistical literature. Simulation is a broadly applicable research tool, used to collect data on the relative performance of methods or…
Significant work has been done on advancing localization and mapping in underwater environments. Still, state-of-the-art methods are challenged by low-texture environments, which is common for underwater settings. This makes it difficult to…
We address the relative paucity of empirical testing of learning algorithms (of any type) by introducing a new public-domain, Modular, Optimal Learning Testing Environment (MOLTE) for Bayesian ranking and selection problem, stochastic…
We present an open source Python 3 library aimed at practitioners of molecular simulation, especially Monte Carlo simulation. The aims of the library are to facilitate the generation of simulation data for a wide range of problems; and to…
Online motion planning is a challenging problem for intelligent robots moving in dense environments with dynamic obstacles, e.g., crowds. In this work, we propose a novel approach for optimal and safe online motion planning with minimal…
Popular Monte-Carlo tree search (MCTS) algorithms for online planning, such as epsilon-greedy tree search and UCT, aim at rapidly identifying a reasonably good action, but provide rather poor worst-case guarantees on performance improvement…
We introduce cilantro, an open-source C++ library for geometric and general-purpose point cloud data processing. The library provides functionality that covers low-level point cloud operations, spatial reasoning, various methods for point…
Automated machine learning makes it easier for data scientists to develop pipelines by searching over possible choices for hyperparameters, algorithms, and even pipeline topologies. Unfortunately, the syntax for automated machine learning…
Several planners have been proposed to compute robot paths that reach desired goal regions while avoiding obstacles. However, these methods fail when all pathways to the goal are blocked. In such cases, the robot must reason about how to…
Probability density function (PDF) based turbulent combustion modelling is limited by the need to store multi-dimensional PDF tables that can take up large amounts of memory. A significant saving in storage can be achieved by using various…
The pyLOT library offers a Python implementation of linearized optimal transport (LOT) techniques and methods to use in downstream tasks. The pipeline embeds probability distributions into a Hilbert space via the Optimal Transport maps from…
This paper continues our treatment of the Neutron Transport Equation (NTE) building on the work in [arXiv:1809.00827v2], [arXiv:1810.01779v4] and [arXiv:1901.00220v3], which describes the flux of neutrons through inhomogeneous fissile…
Recently, the concept of homotopic trajectory planning has emerged as a novel solution to navigation in large-scale obstacle environments for swarm robotics, offering a wide ranging of applications. However, it lacks an efficient homotopic…
Topological Machine Learning (TML) is an emerging field that leverages techniques from algebraic topology to analyze complex data structures in ways that traditional machine learning methods may not capture. This tutorial provides a…
A crucial aspect of 3D Monte Carlo radiative transfer is the choice of the spatial grid used to partition the dusty medium. We critically investigate the use of octree grids in Monte Carlo dust radiative transfer, with two different octree…
This paper explores how far the scientific discovery process can be automated. Using the identification of causally significant flow structures in two-dimensional turbulence as an example, it probes how far the usual procedure of planning…
We propose a novel methodology for robotic follow-ahead applications that address the critical challenge of obstacle and occlusion avoidance. Our approach effectively navigates the robot while ensuring avoidance of collisions and occlusions…
Multi-Task Learning (MTL) involves the concurrent training of multiple tasks, offering notable advantages for dense prediction tasks in computer vision. MTL not only reduces training and inference time as opposed to having multiple…
In this paper, we present a flexible and probabilistic framework for tracking topological features in time-varying scalar fields using merge trees and partial optimal transport. Merge trees are topological descriptors that record the…