Potential Flow Generator With L 2 Optimal Transport Regularity for Generative Models
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Computer Science↗
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Results for “Generative Model”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Next generation models of carbonate mineral growth and dissolution: Modeling and Analysis: Next generation models of carbonate mineral growth and dissolution
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bio-inspired, mechanical behavior, carbon sequestr↗
Secondary Circuit Model Generation Using Limited PV Measurements and Parameter Estimation.
Abstract not provided.
Peppanen, Jouni↗
Concept Lens: Visual Comparison and Evaluation of Generative Model Manipulations
Generative models are becoming a transformative technology for the creation and editing of images. However, it remains challenging to harness these models for precise image manipulation. These challenges often manifest as inconsistency in the editing process, where both the type and amount of semantic change, depend on the image being manipulated. Moreover, there exist many methods for computing image manipulations, whose development is hindered by the matter of inconsistency. This paper aims to address these challenges by improving how we evaluate, compare, and explore the space of manipulations offered by a generative model. We present Concept Lens, a visual interface that is designed to aid users in understanding semantic concepts carried in image manipulations, and how these manipulations vary over generated images. Given the large space of possible images produced by a generative model, Concept Lens is designed to support the exploration of both generated images, and their manipulations, at multiple levels of detail. To this end, the layout of Concept Lens is informed by two hierarchies: a hierarchical organization of (1) original images, grouped by their similarities, and (2) image manipulations, where manipulations that induce similar changes are grouped together. This layout allows one to discover the types of images that consistently respond to a group of manipulations, and vice versa, manipulations that consistently respond to a group of codes. We show the benefits of this design across multiple use cases, specifically, studying the quality of manipulations for a single method, and offering a means of comparing different methods.
clustering↗
Machine Learning Augmented Predictive and Generative Model for Rupture Life in Ferritic and Austenitic Steels
The Larson-Miller parameter (LMP) offers an efficient and fast scheme to estimate the creep rupture life of alloy materials for high temperature applications. However, owing to poor generalizability and dependence on the constant C, which is typically not known a-priori, estimations using the Larson-Miller parameter often result in suboptimal performance for a wide range of materials. At best it is useful in comparing alloys of similar composition. In this work, three machine learning (ML) schemes were developed for rupture life prediction for 9-12% Cr ferritic-martensitic steels and austenitic stainless steels, i.e., a hierarchical model to parameterize LMP using the LMP constant C to compute rupture life, a hierarchical model to parameterize both C and LMP to compute rupture life, and a direct prediction of rupture life. Specifically, we show that the third scheme, using a gradient boosting algorithm, can be used to train ML models for very accurate prediction of rupture life in a variety of alloys (Pear-son Correlation Coefficient > 0.9 for 9-12% Cr and > 0.8 for austenitic stainless steels). In addition, the Shapley value was used to quantify feature importance, making the model interpretable by identifying the effect of various features on the model performance. Furthermore, a variational autoencoder-based generative model was built by conditioning on the experimental dataset to sample hypothetical synthetic candidate alloys from the learnt joint distribution not existing in both 9-12 % Cr ferritic-martensitic steel and austenitic stainless steel datasets. Finally, based on the predictive and generative model, a reinforcement learning strategy has been proposed to guide experimentalists into designing better heat resistant alloys.
Mamun, Md Osman G.↗
Diffusion-Model-Assisted Supervised Learning of Generative Models for Density Estimation
Here, we present a supervised learning framework of training generative models for density estimation. Generative models, including generative adversarial networks (GANs), normalizing flows, and variational auto-encoders (VAEs), are usually considered as unsupervised learning models, because labeled data are usually unavailable for training. Despite the success of the generative models, there are several issues with the unsupervised training, e.g., requirement of reversible architectures, vanishing gradients, and training instability. To enable supervised learning in generative models, we utilize the score-based diffusion model to generate labeled data. Unlike existing diffusion models that train neural networks to learn the score function, we develop a training-free score estimation method. This approach uses mini-batch-based Monte Carlo estimators to directly approximate the score function at any spatial-temporal location in solving an ordinary differential equation (ODE), corresponding to the reverse-time stochastic differential equation (SDE). This approach can offer both high accuracy and substantial time savings in neural network training. Once the labeled data are generated, we can train a simple, fully connected neural network to learn the generative model in the supervised manner. Compared with existing normalizing flow models, our method does not require the use of reversible neural networks and avoids the computation of the Jacobian matrix. Compared with existing diffusion models, our method does not need to solve the reverse-time SDE to generate new samples. As a result, the sampling efficiency is significantly improved. We demonstrate the performance of our method by applying it to a set of 2D datasets as well as real data from the University of California Irvine (UCI) repository.
97 MATHEMATICS AND COMPUTING↗
Automated Symbolic Upscaling: 2. Model Generation for Extended Applicability Regimes
Abstract In this second part of the two paper series, we detail an algorithmic procedure for systematically implementing the generalized closure form strategy presented in Part 1. This strategy extends the applicability of homogenized models with respect to classical homogenization theory, as demonstrated in Part 1 where upscaled models are rigorously derived in moderately reactive physical regimes. After encoding the algorithm into Symbolica, an automated upscaling framework, we upscale two reactive mass transport problems and numerically validate the resulting nonlinear homogenized models by showing the absolute error estimates predicted by homogenization theory are satisfied. In both problems, nontrivial closure forms and closure problems are automatically formulated using the encoded strategy with no human interaction, nor prior knowledge regarding the closure required for the systems. We hope these demonstrations spark further interest in automated analytical frameworks for multiscale modeling, as such capabilities are invaluable for generating rigorous multiscale models of complex phenomena in porous media.
Pietrzyk, Kyle↗
Automated Symbolic Upscaling: 1. Model Generation for Extended Applicability Regimes
Abstract In porous media theory, upscaling techniques are fundamental to deriving rigorous Darcy‐scale models for flow and reactive transport in subsurface systems. Due to limitations in classical techniques, a number of ad hoc approaches have been proposed to address physical regimes in which reactive time scales are similar to, or faster than, diffusive time scales. In Part 1 of this two part series, we present a strategy for expanding the applicability of classical homogenization theory by generalizing the assumed closure form. We detail the implementation of this strategy on two reactive mass transport problems with moderately reactive physics. The strategy produces nontrivial homogenized models with emergent terms and effective parameters that couple reactive, diffusive, and advective transport. The differences in equation forms between the macroscopic and pore‐scale descriptions advise caution to further studies where the forms of macroscopic equations are assumed, as opposed to rigorously derived. Numerical validation is provided for each problem to show that the error estimates of homogenization theory are satisfied, and to justify the implemented strategy. In Part 2, the presented strategy is automated using symbolic computing to expedite its implementation.
Pietrzyk, Kyle↗
PHOTOMETRIC REDSHIFTS AND QUASAR PROBABILITIES FROM A SINGLE, DATA-DRIVEN GENERATIVE MODEL
We describe a technique for simultaneously classifying and estimating the redshift of quasars. It can separate quasars from stars in arbitrary redshift ranges, estimate full posterior distribution functions for the redshift, and naturally incorporate flux uncertainties, missing data, and multi-wavelength photometry. We build models of quasars in flux-redshift space by applying the extreme deconvolution technique to estimate the underlying density. By integrating this density over redshift, one can obtain quasar flux densities in different redshift ranges. This approach allows for efficient, consistent, and fast classification and photometric redshift estimation. This is achieved by combining the speed obtained by choosing simple analytical forms as the basis of our density model with the flexibility of non-parametric models through the use of many simple components with many parameters. We show that this technique is competitive with the best photometric quasar classification techniques-which are limited to fixed, broad redshift ranges and high signal-to-noise ratio data-and with the best photometric redshift techniques when applied to broadband optical data. We demonstrate that the inclusion of UV and NIR data significantly improves photometric quasar-star separation and essentially resolves all of the redshift degeneracies for quasars inherent to the ugriz filter system, even when included data have a low signal-to-noise ratio. For quasars spectroscopically confirmed by the SDSS 84% and 97% of the objects with Galaxy Evolution Explorer UV and UKIDSS NIR data have photometric redshifts within 0.1 and 0.3, respectively, of the spectroscopic redshift; this amounts to about a factor of three improvement over ugriz-only photometric redshifts. Our code to calculate quasar probabilities and redshift probability distributions is publicly available.
79 ASTRONOMY AND ASTROPHYSICS↗
Generative models on phase space
Deep generative models such as diffusion and flow matching are powerful machine learning tools capable of learning and sampling from high-dimensional distributions. They are particularly useful when the training data appears to be concentrated on a submanifold of the data embedding space. For high-energy physics data, consisting of collections of relativistic energy-momentum 4-vectors, this submanifold can enforce extremely strong physically-motivated priors, such as energy and momentum conservation. If these constraints are learned only approximately, rather than exactly, this can inhibit the interpretability and reliability of such generative models. To remedy this deficiency, we introduce generative models which are, by construction, confined at every step of their sampling trajectory to the manifold of massless N-particle Lorentz-invariant phase space in the center-of-momentum frame. In the case of diffusion models, the "pure noise" forward process endpoint corresponds to the uniform distribution on phase space, which provides a clear starting point from which to identify how correlations among the particles emerge during the reverse (de-noising) process. We demonstrate that our models are able to learn both few-particle and many-particle distributions with various singularity structures, paving the way for future interpretability studies using generative models trained on simulated jet data.
Bogorad, Zachary [Fermilab]↗
Automated model generation and parameter estimation of building energy models using an ontology-based framework
This study presents a methodology for automated model generation and parameter estimation of building energy models using semantic modeling and Bayesian estimation. Semantic modeling techniques are used to represent the system components and their interactions, facilitating the automatic generation of a simulation model from dynamic component models. The proposed approach is applied to a case study of a ventilation system where a simulation model is generated, calibrated, and assessed through different performance metrics. These metrics demonstrate the accuracy and reliability of both model point estimates and probabilistic prediction intervals across all model outputs. Overall, the proposed methodology offers a systematic and automated approach to model development and calibration in building energy systems, with potential applications in building performance analysis, monitoring, and optimization.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Deep generative models for vehicle speed trajectories
Generating realistic vehicle speed trajectories is a crucial component in evaluating vehicle fuel economy and in predictive control of self-driving cars. Traditional generative models rely on Markov chain methods and can produce accurate synthetic trajectories but are subject to the curse of dimensionality. They do not allow to include conditional input variables into the generation process. In this paper, we show how extensions to deep generative models allow accurate and scalable generation. Proposed architectures involve recurrent and feed-forward layers and are trained using adversarial techniques. Our models are shown to perform well on generating vehicle trajectories using a model trained on GPS data from Chicago metropolitan area.
33 ADVANCED PROPULSION SYSTEMS↗
A Statistical Approach For Modeling Tropical Cyclones. Synthetic Hurricanes Generator Model
This manuscript brie y describes a statistical ap- proach to generate synthetic tropical cyclone tracks to be used in risk evaluations. The Synthetic Hur- ricane Generator (SynHurG) model allows model- ing hurricane risk in the United States supporting decision makers and implementations of adaptation strategies to extreme weather. In the literature there are mainly two approaches to model hurricane hazard for risk prediction: deterministic-statistical approaches, where the storm key physical parameters are calculated using physi- cal complex climate models and the tracks are usually determined statistically from historical data; and sta- tistical approaches, where both variables and tracks are estimated stochastically using historical records. SynHurG falls in the second category adopting a pure stochastic approach.
97 MATHEMATICS AND COMPUTING↗
FunDiff: diffusion models over function spaces for physics-informed generative modeling
Recent advances in generative modeling-particularly diffusion models and flow matching-have been widely used for synthesizing discrete data such as images and videos. However, adapting these models to physical applications remains challenging, as the quantities of interest are continuous functions governed by complex physical laws. To address this, we introduce FunDiff, an efficient and robust framework for generative modeling in function spaces. FunDiff combines a latent diffusion process with a function autoencoder architecture to handle input functions with varying discretizations, generates continuous functions that can be evaluated at arbitrary locations, and seamlessly incorporate physical priors. These priors are enforced through architectural constraints or physics-informed loss functions, ensuring that generated samples satisfy fundamental physical laws. We theoretically establish minimax optimality guarantees for density estimation in function spaces, demonstrating that diffusion-based estimators achieve optimal convergence rates under suitable regularity conditions. We further demonstrate the practical effectiveness of FunDiff across diverse applications in fluid dynamics and solid mechanics. Empirical results indicate that our method can generate physically consistent samples with high fidelity to the target distribution, and exhibit robustness to noisy and low-resolution data.
Wang, Sifan [Yale University, New Haven, CT (Unite↗
Modeling of concentrating solar thermoelectric generators
The conversion of solar power into electricity is dominated by non-concentrating photovoltaics and concentrating solar thermal systems. Recently, it has been shown that solar thermoelectric generators (STEGs) are a viable alternative in the non-concentrating regime. This paper addresses here the possibility of STEGs being used as the power block in concentrating solar power systems. STEG power blocks have no moving parts, they are scalable, and they eliminate the need for an external traditional thermomechanical generator, such as a steam turbine or Stirling engine. Using existing skutterudite and bismuth telluride materials, concentrating STEGs can have efficiencies exceeding 10% based on a geometric optical concentration ratio of 45.
14 SOLAR ENERGY↗
Leveraging Active Subspaces to Capture Epistemic Model Uncertainty in Deep Generative Models for Molecular Design
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97 MATHEMATICS AND COMPUTING↗
Generative models for simulation of KamLAND-Zen
Abstract The next generation of searches for neutrinoless double beta decay ($$0 \nu \beta \beta $$ 0 ν β β ) are poised to answer deep questions on the nature of neutrinos and the source of the Universe’s matter–antimatter asymmetry. They will be looking for event rates of less than one event per ton of instrumented isotope per year. To claim discovery, accurate and efficient simulations of detector events that mimic$$0 \nu \beta \beta $$ 0 ν β β is critical. Traditional Monte Carlo (MC) simulations can be supplemented by machine-learning-based generative models. This work describes the performance of generative models that we designed for monolithic liquid scintillator detectors like KamLAND to produce accurate simulation data without a predefined physics model. We present their current ability to recover low-level features and perform interpolation. In the future, the results of these generative models can be used to improve event classification and background rejection by providing high-quality abundant generated data.
Physics↗