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At least 55 records · Page 3

A staged deep learning approach to spatial refinement in 3D temporal atmospheric transport

High-resolution spatiotemporal simulations effectively capture the complexities of atmospheric plume dispersion in complex terrain. However, their high computational cost makes them impractical for applications requiring rapid responses or iterative processes, such as optimization, uncertainty quantification, or inverse modeling. To address this challenge, this work introduces the Dual-Stage Temporal Three-dimensional UNet Super-resolution (DST3D-UNet-SR) model, a highly efficient deep learning model for plume dispersion predictions. DST3D-UNet-SR is composed of two sequential modules: the temporal module (TM), which predicts the transient evolution of a plume in complex terrain from low-resolution temporal data, and the spatial refinement module (SRM), which subsequently enhances the spatial resolution of the TM predictions. We train DST3D-UNet-SR using a comprehensive dataset derived from high-resolution large eddy simulations (LES) of plume transport. We propose the DST3D-UNet-SR model to significantly accelerate LES of three-dimensional (3D) plume dispersion by three orders of magnitude. Additionally, the model demonstrates the ability to dynamically adapt to evolving conditions through the incorporation of new observational data, substantially improving prediction accuracy in high-concentration regions near the source.

3D temporal sequences

Active-noise-induced dynamic clustering of passive colloidal particles

Active fluids generate spontaneous, often chaotic mesoscale flows. Harnessing these flows to drive soft materials embedded within an active fluid into structures with controlled length scales and lifetimes is a key challenge at the interface between the fields of active matter and nonequilibrium self-assembly. Here, we present a simple and efficient computational approach to model soft materials advected by active fluids, by simulating particles moving in a spatiotemporally correlated noise field. To illustrate our approach, we simulate the dynamical self-organization of repulsive colloids within such an active noise field. The colloids form structures whose sizes and dynamics can be tuned by the correlation time and length of the active fluid, and range from small rotating droplets to clusters with internal flows and system-spanning sizes that vastly exceed the active correlation length. Our results explain how the interplay between active fluid time and length scales and emergent driven assembly can be used to rationally design functional assemblies. More broadly, our approach can be used to efficiently simulate diverse active fluids and other systems with spatiotemporally correlated noise.

Brownian dynamics

Unsupervised discovery of extreme weather events using universal representations of emergent organization

Spontaneous self-organization is ubiquitous in systems far from thermodynamic equilibrium. While organized structures that emerge dominate transport properties, universal representations that identify and describe these key objects remain elusive. Here, we introduce a theoretically grounded framework for describing emergent organization that, via data-driven algorithms, is constructive in practice. Its building blocks are spacetime lightcones that embody how information propagates across a system through local interactions. We show that predictive equivalence classes of lightcones—local causal states—capture organized behaviors in complex spatiotemporal systems. Employing an unsupervised physics-informed machine learning algorithm and a high-performance computing implementation, we demonstrate automatically discovering organized structures in two real-world domain science problems. We show that local causal states identify vortices and track their power-law decay behavior in two-dimensional fluid turbulence. We then show how to detect and track familiar extreme weather events—hurricanes and atmospheric rivers—and discover other novel structures associated with precipitation extremes in high-resolution climate data at the grid-cell level.

Rupe, Adam [Pacific Northwest National Laboratory

A Framework for Deep Learning Emulation of Numerical Models With a Case Study in Satellite Remote Sensing

Numerical models based on physics represent the state of the art in Earth system modeling and comprise our best tools for generating insights and predictions. Despite rapid growth in computational power, the perceived need for higher model resolutions overwhelms the latest generation computers, reducing the ability of modelers to generate simulations for understanding parameter sensitivities and characterizing variability and uncertainty. Thus, surrogate models are often developed to capture the essential attributes of the full-blown numerical models. Recent successes of machine learning methods, especially deep learning (DL), across many disciplines offer the possibility that complex nonlinear connectionist representations may be able to capture the underlying complex structures and nonlinear processes in Earth systems. A difficult test for DL-based emulation, which refers to function approximation of numerical models, is to understand whether they can be comparable to traditional forms of surrogate models in terms of computational efficiency while simultaneously reproducing model results in a credible manner. A DL emulation that passes this test may be expected to perform even better than simple models with respect to capturing complex processes and spatiotemporal dependencies. Here, we examine, with a case study in satellite-based remote sensing, the hypothesis that DL approaches can credibly represent the simulations from a surrogate model with comparable computational efficiency. Our results are encouraging in that the DL emulation reproduces the results with acceptable accuracy and often even faster performance. We discuss the broader implications of our results in light of the pace of improvements in high-performance implementations of DL and the growing desire for higher resolution simulations in the Earth sciences.

Bayesian Deep Learning

Designing an Optimal Sensor Network via Minimizing Information Loss

Optimal experimental design is a classic topic in statistics, with many well-studied problems, applications, and solutions. The design problem we study is the placement of sensors to monitor spatiotemporal processes, explicitly accounting for the temporal dimension in our modeling and optimization. We observe that recent advancements in computational sciences often yield large datasets based on physics-based simulations, which are rarely leveraged in experimental design. We introduce a novel model-based sensor placement criterion, along with a highly-efficient optimization algorithm, which integrates physics-based simulations and Bayesian experimental design principles to identify sensor networks that “minimize information loss” from simulated data. Our technique relies on sparse variational inference and (separable) Gauss-Markov priors, and thus may adapt many techniques from Bayesian experimental design. We validate our method through a case study monitoring air temperature in Phoenix, Arizona, using state-of-the-art physics-based simulations. Our results show our framework to be superior to random or quasi-random sampling, particularly with a limited number of sensors. We conclude by discussing practical considerations and implications of our framework, including more complex modeling tools and real-world deployments.

54 ENVIRONMENTAL SCIENCES

Characterizing climate pathways using feature importance on echo state networks

The 2022 National Defense Strategy of the United States listed climate change as a serious threat to national security. Climate intervention methods, such as stratospheric aerosol injection, have been proposed as mitigation strategies, but the downstream effects of such actions on a complex climate system are not well understood. The development of algorithmic techniques for quantifying relationships between source and impact variables related to a climate event (i.e., a climate pathway) would help inform policy decisions. Data-driven deep learning models have become powerful tools for modeling highly nonlinear relationships and may provide a route to characterize climate variable relationships. In this paper, we explore the use of an echo state network (ESN) for characterizing climate pathways. ESNs are a computationally efficient neural network variation designed for temporal data, and recent work proposes ESNs as a useful tool for forecasting spatiotemporal climate data. However, ESNs are noninterpretable black-box models along with other neural networks. The lack of model transparency poses a hurdle for understanding variable relationships. We address this issue by developing feature importance methods for ESNs in the context of spatiotemporal data to quantify variable relationships captured by the model. We conduct a simulation study to assess and compare the feature importance techniques, and we demonstrate the approach on reanalysis climate data. In the climate application, we consider a time period that includes the 1991 volcanic eruption of Mount Pinatubo. This event was a significant stratospheric aerosol injection, which acts as a proxy for an anthropogenic stratospheric aerosol injection. Furthermore, we are able to use the proposed approach to characterize relationships between pathway variables associated with this event that agree with relationships previously identified by climate scientists.

black-box models

Accessing and visualizing scientific spatiotemporal data

This paper discusses work done by JPL's Parallel Applications Technologies Group in helping scientists access and visualize very large data sets through the use of multiple computing resources, such as parallel supercomputers, clusters, and grids.

rendering

Accessing and Visualizing scientific spatiotemporal data

This paper discusses work done by JPL 's Parallel Applications Technologies Group in helping scientists access and visualize very large data sets through the use of multiple computing resources, such as parallel supercomputers, clusters, and grids These tools do one or more of the following tasks visualize local data sets for local users, visualize local data sets for remote users, and access and visualize remote data sets The tools are used for various types of data, including remotely sensed image data, digital elevation models, astronomical surveys, etc The paper attempts to pull some common elements out of these tools that may be useful for others who have to work with similarly large data sets.

data sets

Simulation of gas mixture dynamics in a pipeline network using explicit staggered-grid discretization

Here we develop an explicit staggered finite difference discretization scheme for simulating the transport of highly heterogeneous gas mixtures through pipeline networks. This study is motivated by the proposed blending of hydrogen into natural gas pipelines to reduce end use carbon emissions while using existing pipeline systems throughout their planned lifetimes. Our computational method accommodates an arbitrary number of constituent gases with very different physical properties that may be injected into a network with significant spatiotemporal variation. In this setting, the gas flow physics are highly location- and time- dependent, so that local composition and nodal mixing must be accounted for. The resulting conservation laws are formulated in terms of pressure, partial densities and flows, and volumetric and mass fractions of the constituents. We include non-ideal equations of state that employ linear approximations of gas compressibility factors, so that the pressure dynamics propagate locally according to a variable wave speed that depends on mixture composition and density. We derive compatibility relationships for network edge boundary values that are more complex than for a homogeneous gas. The simulation method is evaluated on initial boundary value problems for a single pipe and a small network, is cross-validated with a lumped element simulation, and used to demonstrate a local monitoring and control policy for maintaining allowable concentration levels.

97 MATHEMATICS AND COMPUTING

Fractal Characterization of Multitemporal Scaled Remote Sensing Data

Scale is an "innate" concept in geographic information systems. It is recognized as something that is intrinsic to the ingestion, storage, manipulation, analysis, modeling, and output of space and time data within a GIS purview, yet the relative meaning and ramifications of scaling spatial and temporal data from this perspective remain enigmatic. As GISs become more sophisticated as a product of more robust software and more powerful computer systems, there is an urgent need to examine the issue of scale, and its relationship to the whole body of spatiotemporal data, as imparted in GISS. Scale is fundamental to the characterization of geo-spatial data as represented in GISS, but we have relatively little insight on the effects of, or how to measure the effects of, scale in representing multiscaled data; i.e., data that are acquired in different formats (e.g., map, digital) and exist in varying spatial, temporal, and in the case of remote sensing data, radiometric, configurations. This is particularly true in the emerging era of Integrated GISs (IGIS), wherein spatial data in a variety of formats (e.g., raster, vector) are combined with multiscaled remote sensing data, capable of performing highly sophisticated space-time data analyses and modeling. Moreover, the complexities associated with the integration of multiscaled data sets in a multitude of formats are exacerbated by the confusion of what the term "scale" is from a multidisciplinary perspective; i.e., "scale" takes on significantly different meanings depending upon one's disciplinary background and spatial perspective which can lead to substantive confusion in the input, manipulation, analyses, and output of IGISs (Quattrochi, 1993). Hence, we must begin to look at the universality of scale and begin to develop the theory, methods, and techniques necessary to advance knowledge on the "Science of Scale" across a wide number of spatial disciplines that use GISs.

Quattrochi, Dale A.

Fractal Characterization of Multitemporal Remote Sensing Data

Scale is an "innate" concept in geographic information systems. It is recognized as something that is intrinsic to the capture, storage, manipulation, analysis, modeling, and output of space and time data within a GIS purview, yet the relative meaning and ramifications of scaling spatial and temporal data from this perspective remain enigmatic. As GISs become more sophisticated as a product of more robust software and more powerful computer systems, there is an urgent need to examine the issue of scale, and its relationship to the whole body of spatiotemporal data, as imparted in GISs. Scale is fundamental to the characterization of geo-spatial data as represented in GISs, but we have relatively little insight on how to measure the effects of scale in representing data that are acquired in different formats and exist in varying spatial, temporal and radiometric configurations. Moreover, the complexities associated with the integration of multiscaled data sets in a multitude of formats are exacerbated by the confusion of what the term "scale" is from a multidisciplinary perspective. "Scale" takes on significantly different meanings depending upon one's disciplinary background and spatial perspective which lead to substantial confusion in the input, manipulation, analysis, and output operations. Hence, we must begin to look at the universality of scale and begin to develop the theory, methods, and techniques necessary to advance knowledge on the "Science of Scale' across all disciplines that use GISs.

Quattrochi, Dale A.

Fractal Characterization of Multitemporal Remote Sensing Data

Scale is an 'innate' concept in geographical information systems (GIS). It is recognized as something that is intrinsic to the capture, storage, manipulation, analysis, modelling, and output of space and time data within a GIS purview, yet the relative meaning and ramifications of scaling spatial and temporal data from this perspective remain enigmatic. As GIS becomes more sophisticated as a product of more robust software and more powerful computer systems, there is an urgent need to examine the issue of scale, and its relationship to the whole body of spatiotemporal data, as imparted in GIS. Scale is fundamental to the characterization of geo-spatial data as represented in GIS, but we have relatively little insight on how to measure the effects of scale in representing data that are acquired in different formats and exist in varying spatial, temporal and radiometric configurations. Moreover, the complexities associated with the integration of multi-scaled data sets in a multitude of formats are exacerbated by the confusion of what the term 'scale' means from a multidisciplinary perspective. 'Scale' takes on significantly different meanings depending upon one's disciplinary background and spatial perspective, which can lead to substantial confusion in the input, manipulation, analysis, and output operations. Hence, we must begin to look at the universality of scale and begin to develop the theory, methods and techniques necessary to advance knowledge on the 'Science of scale' across all disciplines that use GIS.

Quattrochi, Dale A.

An Innovative Infrastructure with a Universal Geo-Spatiotemporal Data Representation Supporting Cost-Effective Integration of Diverse Earth Science Data

The SpatioTemporal Adaptive Resolution Encoding (STARE) is a unifying scheme encoding geospatial and temporal information for organizing data on scalable computing/storage resources, minimizing expensive data transfers. STARE provides a compact representation that turns set-logic functions into integer operations, e.g. conditional sub-setting, taking into account representative spatiotemporal resolutions of the data in the datasets. STARE geo-spatiotemporally aligns data placements of diverse data on massive parallel resources to maximize performance. Automating important scientific functions (e.g. regridding) and computational functions (e.g. data placement) allows scientists to focus on domain-specific questions instead of expending their efforts and expertise on data processing. With STARE-enabled automation, SciDB (Scientific Database) plus STARE provides a database interface, reducing costly data preparation, increasing the volume and variety of interoperable data, and easing result sharing. Using SciDB plus STARE as part of an integrated analysis infrastructure dramatically eases combining diametrically different datasets.

Rilee, Michael Lee

A generative artificial intelligence framework for long-time plasma turbulence simulations

Generative deep learning techniques are employed in a novel framework for the construction of surrogate models capturing the spatiotemporal dynamics of 2D plasma turbulence. The proposed Generative Artificial Intelligence Turbulence (GAIT) framework enables the acceleration of turbulence simulations for long-time transport studies. GAIT leverages a convolutional variational auto-encoder and a recurrent neural network to generate new turbulence data from existing simulations, extending the time horizon of transport studies with minimal computational cost. The application of the GAIT framework to plasma turbulence using the Hasegawa–Wakatani (HW) model is presented, evaluating its performance via various analyses. Very good agreement is found between the GAIT and the HW models in the spatiotemporal Fourier and Proper Orthogonal Decomposition spectra, the flow topology characterized by the Okubo–Weiss parameter, and the time autocorrelation function of turbulent fluctuations. Excellent agreement has also been obtained in the probability distribution function of particle displacements and the effective turbulent diffusivity. In-depth analyses of the latent space of turbulent states, choice of hyperparameters and alternative deep learning models for the time prediction are presented. Our results highlight the potential of Artificial Intelligence-based surrogate models to overcome the computational challenges in turbulence simulation, which can be extended to other situations such as geophysical fluid dynamics.

Artificial intelligence

Space-time crystals from particle-like topological solitons

Time crystals are unexpected states of matter that spontaneously break time-translation symmetry either in a discrete or continuous manner. However, spatially mesoscale space-time crystals that break both space and time symmetries have not been reported. Here we report a continuous space-time crystal in a nematic liquid crystal driven by ambient-power, constant-intensity unstructured light. Our numerically constructed four-dimensional configurations exhibit good agreement with these experimental findings. Although meeting the established criteria to identify time-crystalline order, both experiments and computer simulations reveal a space-time crystallization phase formed by particle-like topological solitons. The robustness against temporal perturbations and spatiotemporal dislocations shows the stability and rigidity of the studied space-time crystals, which relates to their locally topological nature and many-body interactions between emergent spontaneously twisted, particle-like solitonic building blocks. Their potential technological utility includes optical devices, photonic space-time crystal generators, telecommunications and anti-counterfeiting designs, among others.

Liquid crystals

Spatiotemporal quenches for efficient critical ground state preparation in the two-dimensional transverse field Ising model

Quantum simulators have the potential to shed light on the study of quantum many-body systems and materials, offering unique insights into various quantum phenomena. Although adiabatic evolution has been conventionally employed for state preparation, it faces challenges when the system evolves too quickly or the coherence time is limited. In such cases, shortcuts to adiabaticity, such as spatiotemporal quenches, provide a promising alternative. This paper numerically investigates the application of spatiotemporal quenches in the two-dimensional transverse field Ising model with ferromagnetic interactions, focusing on the emergence of the ground state and its correlation properties at criticality when the gap vanishes. We demonstrate the effectiveness of these quenches in rapidly preparing ground states in critical systems. Our simulations reveal the existence of an optimal quench front velocity at the emergent speed of light, leading to minimal excitation energy density and correlation lengths of the order of finite system sizes we can simulate. These findings emphasize the potential of spatiotemporal quenches for efficient ground state preparation in quantum systems, with implications for the exploration of strongly correlated phases and programmable quantum computing.

2-dimensional systems

Rethinking materials simulations: Blending direct numerical simulations with neural operators

Abstract Materials simulations based on direct numerical solvers are accurate but computationally expensive for predicting materials evolution across length- and time-scales, due to the complexity of the underlying evolution equations, the nature of multiscale spatiotemporal interactions, and the need to reach long-time integration. We develop a method that blends direct numerical solvers with neural operators to accelerate such simulations. This methodology is based on the integration of a community numerical solver with a U-Net neural operator, enhanced by a temporal-conditioning mechanism to enable accurate extrapolation and efficient time-to-solution predictions of the dynamics. We demonstrate the effectiveness of this hybrid framework on simulations of microstructure evolution via the phase-field method. Such simulations exhibit high spatial gradients and the co-evolution of different material phases with simultaneous slow and fast materials dynamics. We establish accurate extrapolation of the coupled solver with large speed-up compared to DNS depending on the hybrid strategy utilized. This methodology is generalizable to a broad range of materials simulations, from solid mechanics to fluid dynamics, geophysics, climate, and more.

36 MATERIALS SCIENCE