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Richard Archibald

Publications and source records attributed to Richard Archibald.

18 recordsLinked to original sources

Diffusion-Based Stochastic Operator Networks for Uncertainty Quantification in Stochastic Partial Differential Equations

We introduce a novel framework for uncertainty quantification of solution operators associated with stochastic partial differential equations (SPDEs). Although SPDEs play a central role in modeling complex physical systems under uncertainty, their practical use typically requires specifying the magnitude and structure of model uncertainties that are often unknown and difficult to infer from noisy measurements. To address this challenge, we develop a stochastic operator-learning framework that learns directly from noisy data and outputs both a mean solution field and a quantification of uncertainty. The proposed method, namely the Stochastic Operator Network (SON), is constructed by combining the structure of the Deep Operator Network (DeepONet) with Stochastic Neural Networks (SNNs) to model stochasticity and enable probabilistic prediction. The training procedure is carried out by minimizing a Hamiltonian-type loss and optimizing the resulting objective using the Stochastic Maximum Principle. Numerical experiments on benchmark SPDEs under multiple uncertainty sources demonstrate the accuracy and robustness of the proposed method in capturing solution structure and quantifying predictive uncertainty.

stat.ML

MPEX AI Digital Twins Milestone Report

This is the six month progress report to Fusion Energy Science (FES) and the American Science Cloud (AmSC) on the MPEX AI Digtial Twins project that was started in October 2025. There are two milestones to demonstrate the Artificial Intelligence (AI) advantage for MPEX operations and scientific discovery, that will be completed by June 2026. The first is a Helicon AI Hot-Spot Controller (Sec. 3.1), which is the helicon heating component of the more comprehensive planned MPEX AI Hot Spot Digital Twin (Sec. 3). The second is an E-beam Damage Assessment Digital Twin (Sec. 4.1), which is a reduced electron beam damage modality prototype for the MPEX AI Damage Assessment Digital Twin (Sec. 4). These two phase I milestones are on track for the June demonstration. In addition to these two milestones, progress on configuring the Galaxy software interface for automation, validation and data analysis is reported (Sec. 5). This interface now connects a subset of the main physics simulation codes to DOE HPC resources and will connect to the MPEX data acquisition system so that analysis of data, validation and execution of simulations can be performed by the scientist or by AI-Agents. When AmSC is ready to accept connections and data, Galaxy will be the MPEX interface to AmSC

physics.plasm-ph

MPEX AI Digital Twins

Our vision for the MPEX AI Digital Twins project is to supply experimental and physics model simulation data to train Artificial Intelligence (AI) models for data processing, analysis, operational control, PMI and materials simulation to maximize the scientific output of the MPEX device. Ultimately, an AI digital twin of MPEX material assessment metrics for tested and synthetic material types with simulated PMI will be trained by the AI Modeling Teams on the experimental and physics simulation data submitted to the American Science Cloud by this project

physics.plasm-ph

Federated Learning on Stochastic Neural Networks

Federated learning is a machine learning paradigm that leverages edge computing on client devices to optimize models while maintaining user privacy by ensuring that local data remains on the device. However, since all data is collected by clients, federated learning is susceptible to latent noise in local datasets. Factors such as limited measurement capabilities or human errors may introduce inaccuracies in client data. To address this challenge, we propose the use of a stochastic neural network as the local model within the federated learning framework. Stochastic neural networks not only facilitate the estimation of the true underlying states of the data but also enable the quantification of latent noise. We refer to our federated learning approach, which incorporates stochastic neural networks as local models, as Federated stochastic neural networks. We will present numerical experiments demonstrating the performance and effectiveness of our method, particularly in handling non-independent and identically distributed data.

cs.LG

Streaming Compression of Scientific Data via weak-SINDy

In this paper a streaming weak-SINDy algorithm is developed specifically for compressing streaming scientific data. The production of scientific data, either via simulation or experiments, is undergoing an stage of exponential growth, which makes data compression important and often necessary for storing and utilizing large scientific data sets. As opposed to classical "offline" compression algorithms that perform compression on a readily available data set, streaming compression algorithms compress data "online" while the data generated from simulation or experiments is still flowing through the system. This feature makes streaming compression algorithms well-suited for scientific data compression, where storing the full data set offline is often infeasible. This work proposes a new streaming compression algorithm, streaming weak-SINDy, which takes advantage of the underlying data characteristics during compression. The streaming weak-SINDy algorithm constructs feature matrices and target vectors in the online stage via a streaming integration method in a memory efficient manner. The feature matrices and target vectors are then used in the offline stage to build a model through a regression process that aims to recover equations that govern the evolution of the data. For compressing high-dimensional streaming data, we adopt a streaming proper orthogonal decomposition (POD) process to reduce the data dimension and then use the streaming weak-SINDy algorithm to compress the temporal data of the POD expansion. We propose modifications to the streaming weak-SINDy algorithm to accommodate the dynamically updated POD basis. By combining the built model from the streaming weak-SINDy algorithm and a small amount of data samples, the full data flow could be reconstructed accurately at a low memory cost, as shown in the numerical tests.

cs.LG

Convergence Analysis for A Stochastic Maximum Principle Based Data Driven Feedback Control Algorithm

This paper presents convergence analysis of a novel data-driven feedback control algorithm designed for generating online controls based on partial noisy observational data. The algorithm comprises a particle filter-enabled state estimation component, estimating the controlled system's state via indirect observations, alongside an efficient stochastic maximum principle type optimal control solver. By integrating weak convergence techniques for the particle filter with convergence analysis for the stochastic maximum principle control solver, we derive a weak convergence result for the optimization procedure in search of optimal data-driven feedback control. Numerical experiments are performed to validate the theoretical findings.

math.OC

An Online Algorithm for Solving Feedback Optimal Control Problems with Partial Observations

This paper presents a novel methodology to tackle feedback optimal control problems in scenarios where the exact state of the controlled process is unknown. It integrates data assimilation techniques and optimal control solvers to manage partial observation of the state process, a common occurrence in practical scenarios. Traditional stochastic optimal control methods assume full state observation, which is often not feasible in real-world applications. Our approach underscores the significance of utilizing observational data to inform control policy design. Specifically, we introduce a kernel learning backward stochastic differential equation (SDE) filter to enhance data assimilation efficiency and propose a sample-wise stochastic optimization method within the stochastic maximum principle framework. Numerical experiments validate the efficacy and accuracy of our algorithm, showcasing its high efficiency in solving feedback optimal control problems with partial observation.

math.OC

MGARD: A multigrid framework for high-performance, error-controlled data compression and refactoring

We describe MGARD, a software providing MultiGrid Adaptive Reduction for floating-point scientific data on structured and unstructured grids. With exceptional data compression capability and precise error control, MGARD addresses a wide range of requirements, including storage reduction, high-performance I/O, and in-situ data analysis. It features a unified application programming interface (API) that seamlessly operates across diverse computing architectures. MGARD has been optimized with highly-tuned GPU kernels and efficient memory and device management mechanisms, ensuring scalable and rapid operations.

cs.CV

A Stochastic Maximum Principle Approach for Reinforcement Learning with Parameterized Environment

In this work, we introduce a stochastic maximum principle (SMP) approach for solving the reinforcement learning problem with the assumption that the unknowns in the environment can be parameterized based on physics knowledge. For the development of numerical algorithms, we shall apply an effective online parameter estimation method as our exploration technique to estimate the environment parameter during the training procedure, and the exploitation for the optimal policy will be achieved by an efficient backward action learning method for policy improvement under the SMP framework. Numerical experiments will be presented to demonstrate that our SMP approach for reinforcement learning can produce reliable control policy, and the gradient descent type optimization in the SMP solver requires less training episodes compared with the standard dynamic programming principle based methods.

math.OC

Convergence Analysis for Training Stochastic Neural Networks via Stochastic Gradient Descent

In this paper, we carry out numerical analysis to prove convergence of a novel sample-wise back-propagation method for training a class of stochastic neural networks (SNNs). The structure of the SNN is formulated as discretization of a stochastic differential equation (SDE). A stochastic optimal control framework is introduced to model the training procedure, and a sample-wise approximation scheme for the adjoint backward SDE is applied to improve the efficiency of the stochastic optimal control solver, which is equivalent to the back-propagation for training the SNN. The convergence analysis is derived with and without convexity assumption for optimization of the SNN parameters. Especially, our analysis indicates that the number of SNN training steps should be proportional to the square of the number of layers in the convex optimization case. Numerical experiments are carried out to validate the analysis results, and the performance of the sample-wise back-propagation method for training SNNs is examined by benchmark machine learning examples.

math.NA

A PDE-based Adaptive Kernel Method for Solving Optimal Filtering Problems

In this paper, we introduce an adaptive kernel method for solving the optimal filtering problem. The computational framework that we adopt is the Bayesian filter, in which we recursively generate an optimal estimate for the state of a target stochastic dynamical system based on partial noisy observational data. The mathematical model that we use to formulate the propagation of the state dynamics is the Fokker-Planck equation, and we introduce an operator decomposition method to efficiently solve the Fokker-Planck equation. An adaptive kernel method is introduced to adaptively construct Gaussian kernels to approximate the probability distribution of the target state. Bayesian inference is applied to incorporate the observational data into the state model simulation. Numerical experiments have been carried out to validate the performance of our kernel method.

math.NA

A Kernel Learning Method for Backward SDE Filter

In this paper, we develop a kernel learning backward SDE filter method to estimate the state of a stochastic dynamical system based on its partial noisy observations. A system of forward backward stochastic differential equations is used to propagate the state of the target dynamical model, and Bayesian inference is applied to incorporate the observational information. To characterize the dynamical model in the entire state space, we introduce a kernel learning method to learn a continuous global approximation for the conditional probability density function of the target state by using discrete approximated density values as training data. Numerical experiments demonstrate that the kernel learning backward SDE is highly effective and highly efficient.

math.NA

A Backward SDE Method for Uncertainty Quantification in Deep Learning

We develop a probabilistic machine learning method, which formulates a class of stochastic neural networks by a stochastic optimal control problem. An efficient stochastic gradient descent algorithm is introduced under the stochastic maximum principle framework. Numerical experiments for applications of stochastic neural networks are carried out to validate the effectiveness of our methodology.

cs.LG

An efficient numerical algorithm for solving data driven feedback control problems

The goal of this paper is to solve a class of stochastic optimal control problems numerically, in which the state process is governed by an Itô type stochastic differential equation with control process entering both in the drift and the diffusion, and is observed partially. The optimal control of feedback form is determined based on the available observational data. We call this type of control problems the data driven feedback control. The computational framework that we introduce to solve such type of problems aims to find the best estimate for the optimal control as a conditional expectation given the observational information. To make our method feasible in providing timely feedback to the controlled system from data, we develop an efficient stochastic optimization algorithm to implement our computational framework.

math.OC

Reconstruction of effective potential from statistical analysis of dynamic trajectories

The broad incorporation of microscopic methods is yielding a wealth of information on atomic and mesoscale dynamics of individual atoms, molecules, and particles on surfaces and in open volumes. Analysis of such data necessitates statistical frameworks to convert observed dynamic behaviors to effective properties of materials. Here we develop a method for stochastic reconstruction of effective acting potentials from observed trajectories. Using the Silicon vacancy defect in graphene as a model, we develop a statistical framework to reconstruct the free energy landscape from calculated atomic displacements.

cond-mat.mes-hall

Super-resolution energy spectra from neutron direct-geometry spectrometers

Neutron direct-geometry time-of-flight chopper spectroscopy is instrumental in studying fundamental excitations of vibrational and/or magnetic origin. We report here that techniques in super-resolution optical imagery (which is in real-space) can be adapted to enhance resolution and reduce noise for a neutron spectroscopy (an instrument for mapping excitations in reciprocal space). The procedure to reconstruct super-resolution energy spectra of phonon density of states relies on a realization of multi-frame registration, accurate determination of the energy-dependent point spread function, asymmetric nature of instrument resolution broadening, and iterative reconstructions. Applying these methods to phonon density of states data for a graphite sample demonstrates contrast enhancement, noise reduction, and ~5-fold improvement over nominal energy resolution. The data were collected at three different incident energies measured at the Wide Angular-Range Chopper Spectrometer at the Spallation Neutron Source.

physics.data-an

Backward SDE Filter for Jump Diffusion Processes and Its Applications in Material Sciences

The connection between forward backward doubly stochastic differential equations and the optimal filtering problem is established without using the Zakai's equation. The solutions of forward backward doubly stochastic differential equations are expressed in terms of conditional law of a partially observed Markov diffusion process. It then follows that the adjoint time-inverse forward backward doubly stochastic differential equations governs the evolution of the unnormalized filtering density in the optimal filtering problem.

math.NA

Single atom force measurements: mapping potential energy landscapes via electron beam induced single atom dynamics

In the last decade, the atomically focused beam of a scanning transmission electron microscope (STEM) was shown to induce a broad set of transformations of material structure, open pathways for probing atomic-scale reactions and atom-by-atom matter assembly. However, the mechanisms of beam-induced transformations remain largely unknown, due to an extreme mismatch between the energy and time scales of electron passage through solids and atomic and molecular motion. Here, we demonstrate that a single dopant Si atom in the graphene lattice can be used as an atomic scale force sensor, providing information on the random force exerted by the beam on chemically-relevant time scales. Using stochastic reconstruction of molecular dynamic simulations, we recover the potential energy landscape of the atom and use it to determine the beam-induced effects in the thermal (i.e. white noise) approximation. We further demonstrate that the moving atom under beam excitation can be used to map potential energy along step edges, providing information about atomic-scale potentials in solids. These studies open the pathway for quantitative studies of beam-induced atomic dynamics, elementary mechanisms of solid-state transformations, and predictive atom-by-atom fabrication.

cond-mat.mtrl-sci