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At least 343 records · Page 19

PABO: Pseudo Agent-Based Multi-Objective Bayesian Hyperparameter Optimization for Efficient Neural Accelerator Design

The ever increasing computational cost of Deep Neural Networks (DNN) and the demand for energy efficient hardware for DNN acceleration has made accuracy and hardware cost co-optimization for DNNs tremendously important, especially for edge devices. Owing to the large parameter space and cost of evaluating each parameter in the search space, manually tuning of DNN hyperparameters is impractical. Automatic joint DNN and hardware hyperparameter optimization is indispensable for such problems. Bayesian optimization-based approaches have shown promising results for hyperparameter optimization of DNNs. However, most of these techniques have been developed without considering the underlying hardware, thereby leading to inefficient designs. Further, the few works that perform joint optimization are not generalizable and mainly focus on CMOS-based architectures. In this work, we present a novel pseudo agent-based multiobjective hyperparameter optimization (PABO) for maximizing the DNN performance while obtaining low hardware cost. Compared to the existing methods, our work poses a theoretically different approach for joint optimization of accuracy and hardware cost and focuses on memristive crossbar based accelerators. PABO uses a supervisor agent to establish connections between the posterior Gaussian distribution models of network accuracy and hardware cost requirements. The agent reduces the mathematical complexity of the co-optimization problem by removing unnecessary computations and updates of acquisition functions, thereby achieving significant speed-ups for the optimization procedure. PABO outputs a Pareto frontier that underscores the trade-offs between designing high-accuracy and hardware efficiency. Our results demonstrate a superior performance compared to the state-of-the-art methods both in terms of accuracy and computational speed (~100x speed up).

Parsa, Maryam↗

Earthquake Phase Association Using a Bayesian Gaussian Mixture Model

Earthquake phase association algorithms aggregate picked seismic phases from a network of seismometers into individual seismic events and play an important role in earthquake monitoring and research. Dense seismic networks and improved phase picking methods produce massive seismic phase datasets, particularly for earthquake swarms and aftershocks occurring closely in time and space, making phase association a challenging problem. Here, we present a new association method, the Gaussian Mixture Model Association (GaMMA), that combines the Gaussian mixture model with earthquake location, origin time, and magnitude estimation. We treat earthquake phase association as an unsupervised clustering problem in a probabilistic framework, where each earthquake corresponds to a cluster of P and S phases with a hyperbolic moveout of arrival times and a decay of amplitude with distance. We use the multivariate Gaussian distribution to model the collection of phase picks of an event; and the mean of the multivariate Gaussian distribution is given by the predicted arrival time and amplitude from the causative event. We carry out the pick assignment to each earthquake and determine earthquake source parameters (i.e., earthquake location, origin time, and magnitude) under the maximum likelihood criterion using the Expectation-Maximization algorithm. The GaMMA method does not require typical association steps of other algorithms, such as grid-search or supervised training. The results for both synthetic tests and for the 2019 Ridgecrest earthquake sequence show that GaMMA effectively associates phases from a temporally and spatially dense earthquake sequence while producing useful estimates of earthquake location and magnitude.

58 GEOSCIENCES↗

Bayesian Optimal Sensor Augmentation Via Estimated Mutual Information

We consider the problem of designing a sensor network to most efficiently locate the source of a seismic event. The left panel of Figure 1 shows 982 possible sensor locations in a region of interest. The objective is to infer the unknown location of an earthquake, indicated by the gold dot for illustration purposes. Assume that three sensors have already been placed for data collection. Travel times of the P-wave from the source to the three sensors are observed and used to infer the unknown source location via a Bayesian statistical model described subsequently. The right panel of Figure 1 shows samples from the resulting posterior distribution for source location along with a posterior estimate of this location.

47 OTHER INSTRUMENTATION↗

Calibrating hypersonic turbulence flow models with the HIFiRE-1 experiment using data-driven machine-learned models.

In this paper we study the efficacy of combining machine-learning methods with projection-based model reduction techniques for creating data-driven surrogate models of computationally expensive, high-fidelity physics models. Such surrogate models are essential for many-query applications e.g., engineering design optimization and parameter estimation, where it is necessary to invoke the high-fidelity model sequentially, many times. Surrogate models are usually constructed for individual scalar quantities. However there are scenarios where a spatially varying field needs to be modeled as a function of the model’s input parameters. Here we develop a method to do so, using projections to represent spatial variability while a machine-learned model captures the dependence of the model’s response on the inputs. The method is demonstrated on modeling the heat flux and pressure on the surface of the HIFiRE-1 geometry in a Mach 7.16 turbulent flow. The surrogate model is then used to perform Bayesian estimation of freestream conditions and parameters of the SST (Shear Stress Transport) turbulence model embedded in the high-fidelity (Reynolds-Averaged Navier–Stokes) flow simulator, using shock-tunnel data. The paper provides the first-ever Bayesian calibration of a turbulence model for complex hypersonic turbulent flows. We find that the primary issues in estimating the SST model parameters are the limited information content of the heat flux and pressure measurements and the large model-form error encountered in a certain part of the flow.

42 ENGINEERING↗

Uncertainty quantification in scientific machine learning: Methods, metrics, and comparisons

Neural networks (NNs) are currently changing the computational paradigm on how to combine data with mathematical laws in physics and engineering in a profound way, tackling challenging inverse and ill-posed problems not solvable with traditional methods. However, quantifying errors and uncertainties in NN-based inference is more complicated than in traditional methods. This is because in addition to aleatoric uncertainty associated with noisy data, there is also uncertainty due to limited data, but also due to NN hyperparameters, overparametrization, optimization and sampling errors as well as model misspecification. Although there are some recent works on uncertainty quantification (UQ) in NNs, there is no systematic investigation of suitable methods towards quantifying the total uncertainty effectively and efficiently even for function approximation, and there is even less work on solving partial differential equations and learning operator mappings between infinite-dimensional function spaces using NNs. In this work, we present a comprehensive framework that includes uncertainty modeling, new and existing solution methods, as well as evaluation metrics and post-hoc improvement approaches. Further, to demonstrate the applicability and reliability of our framework, we present an extensive comparative study in which various methods are tested on prototype problems, including problems with mixed input-output data, and stochastic problems in high dimensions. In the Appendix, we include a comprehensive description of all the UQ methods employed. Further, to help facilitate the deployment of UQ in Scientific Machine Learning research and practice, we present and develop in [1] an open-source Python library (github.com/Crunch-UQ4MI/neuraluq), termed NeuralUQ, that is accompanied by an educational tutorial and additional computational experiments.

11 physics-informed neural networks↗

Simulation Based Inference with Domain Adaptation for Strong Gravitational Lensing

Simulation based inference leverages machine learning to carry out Bayesian inference for systems with intractable likelihoods. However, transitioning a network trained on simulated data to real data runs the risk of encountering domain shift, leading to performance losses. We attempt to implement domain adaptation into the sbi neural posterior estimation framework using the Maximum Mean Discrepancy as an additional network loss. We test two network architectures and use masked autoregressive flow for density estimation. We test the network on a set of 400,000 simulated strong gravitational lensing images generated using deeplenstronomy. The source domain is defined as low noise whereas the target domain has a noise profile sampled from experimentally derived DES survey conditions. We find that, while DA does lead to performance improvements, they are marginal at ~6% less inference error. We also find a similar marginal improvement in uncertainty calibration at around 8%.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

EFIT‐AI: Machine Learning and Artificial Intelligence Assisted Equilibrium Reconstruction for Tokamak Experiments and Burning Plasmas (Final Report)

The EFIT-AI project is creating a modern advanced equilibrium reconstruction code suitable for tokamak experiments of burning plasmas. EFIT [1,2] was the first and is the most extensively used equilibrium reconstruction code in the world. This project builds on the production-level experience and adds key elements as follows. 1. A Model Order Reduction (MOR) version of the two-dimensional (2D) Grad-Shafranov equation solver (EFIT-MORNN) using physics-informed neural networks. 2. Improved optimization and data analysis capabilities using a Bayesian framework enhanced with machine learning. 3. A MOR version of the three-dimensional (3D) perturbed equilibrium reconstruction tool.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Simulation based inference with domain adaptation for strong gravitational lensing

Simulation based inference leverages machine learning to carry out Bayesian inference in systems with intractable likelihoods. However, transitioning a network trained on simulated data to real data runs the risk of encountering domain shift, leading to performance losses. We attempt to implement domain adaptation into the sbi neural posterior estimation framework using the Maximum Mean Discrepancy as an additional network loss, using masked autoregressive fow (MAF) as our density estimator. We test the network on a set of 400,000 simulated strong gravitational lensing images generated using deeplenstronomy. The source domain is defined as low noise whereas the target domain has a noise profile sampled from experimentally derived DES survey conditions. We find that SBI appears robust against small changes in the data with similar performance on source and target. Moreover, while DA does lead to performance improvements, they are marginal at 6% less inference error.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Identifying Bayesian optimal experiments for uncertain biochemical pathway models

Abstract Pharmacodynamic (PD) models are mathematical models of cellular reaction networks that include drug mechanisms of action. These models are useful for studying predictive therapeutic outcomes of novel drug therapies in silico. However, PD models are known to possess significant uncertainty with respect to constituent parameter data, leading to uncertainty in the model predictions. Furthermore, experimental data to calibrate these models is often limited or unavailable for novel pathways. In this study, we present a Bayesian optimal experimental design approach for improving PD model prediction accuracy. We then apply our method using simulated experimental data to account for uncertainty in hypothetical laboratory measurements. This leads to a probabilistic prediction of drug performance and a quantitative measure of which prospective laboratory experiment will optimally reduce prediction uncertainty in the PD model. The methods proposed here provide a way forward for uncertainty quantification and guided experimental design for models of novel biological pathways.

97 MATHEMATICS AND COMPUTING↗

Xylem-dwelling pathogen unaffected by local xylem vessel network properties in grapevines ( Vitis spp.)

Abstract Background and aims Xylella fastidiosa (Xf) is the xylem-dwelling bacterium associated with Pierce’s disease (PD), which causes mortality in agriculturally important species, such as grapevine (Vitis vinifera). The development of PD symptoms in grapevines depends on the ability of Xf to produce cell-wall-degrading enzymes to break up intervessel pit membranes and systematically spread through the xylem vessel network. Our objective here was to investigate whether PD resistance could be mechanistically linked to xylem vessel network local connectivity. Methods We used high-resolution X-ray micro-computed tomography (microCT) imaging to identify and describe the type, area and spatial distribution of intervessel connections for six different grapevine genotypes from three genetic backgrounds, with varying resistance to PD (four PD resistant and two PD susceptible). Key results Our results suggest that PD resistance is unlikely to derive from local xylem network connectivity. The intervessel pit area (Ai) varied from 0.07 ± 0.01 mm2 mm−3 in Lenoir to 0.17 ± 0.03 mm2 mm−3 in Blanc do Bois, both PD resistant. Intervessel contact fraction (Cp) was not statically significant, but the two PD-susceptible genotypes, Syrah (0.056 ± 0.015) and Chardonnay (0.041 ± 0.013), were among the most highly connected vessel networks. Neither Ai nor Cp explained differences in PD resistance among the six genotypes. Bayesian re-analysis of our data shows moderate evidence against the effects of the traits analysed: Ai (BF01 = 4.88), mean vessel density (4.86), relay diameter (4.30), relay density (3.31) and solitary vessel proportion (3.19). Conclusions Our results show that radial and tangential xylem network connectivity is highly conserved within the six different Vitis genotypes we sampled. The way that Xf traverses the vessel network may limit the importance of local network properties to its spread and may confer greater importance on host biochemical responses.

Plant Sciences↗

Stopping criteria for ending autonomous, single detector radiological source searches

While the localization of radiological sources has traditionally been handled with statistical algorithms, such a task can be augmented with advanced machine learning methodologies. The combination of deep and reinforcement learning has provided learning-based navigation to autonomous, single-detector, mobile systems. However, these approaches lacked the capacity to terminate a surveying/search task without outside influence of an operator or perfect knowledge of source location (defeating the purpose of such a system). Two stopping criteria are investigated in this work for a machine learning navigated system: one based upon Bayesian and maximum likelihood estimation (MLE) strategies commonly used in source localization, and a second providing the navigational machine learning network with a “stop search” action. A convolutional neural network was trained via reinforcement learning in a 10 m × 10 m simulated environment to navigate a randomly placed detector-agent to a randomly placed source of varied strength (stopping with perfect knowledge during training). The network agent could move in one of four directions (up, down, left, right) after taking a 1 s count measurement at the current location. During testing, the stopping criteria for this navigational algorithm was based upon a Bayesian likelihood estimation technique of source presence, updating this likelihood after each step, and terminating once the confidence of the source being in a single location exceeded 0.9. A second network was trained and tested with similar architecture as the previous but which contained a fifth action: for self-stopping. The accuracy and speed of localization with set detector and source initializations were compared over 50 trials of MLE-Bayesian approach and 1000 trials of the CNN with self-stopping. The statistical stopping condition yielded a median localization error of ~1.41 m and median localization speed of 12 steps. The machine learning stopping condition yielded a median localization error of 0 m and median localization speed of 17 steps. This work demonstrated two stopping criteria available to a machine learning guided, source localization system.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Combining lattice QCD and phenomenological inputs on generalised parton distributions at moderate skewness

Abstract We present a systematic study demonstrating the impact of lattice QCD data on the extraction of generalised parton distributions (GPDs). For this purpose, we use a previously developed modelling of GPDs based on machine learning techniques fulfilling the theoretical requirements of polynomiality, a form of positivity constraint and known reduction limits. A special care is given to estimate the uncertainty stemming from the ill-posed character of the connection between GPDs and the experimental processes usually considered to constrain them, like deeply virtual Compton scattering (DVCS). Moke lattice QCD data inputs are included in a Bayesian framework to a prior model based on an Artificial Neural Network. This prior model is fitted to reproduce the most experimentally accessible information of a phenomenological extraction by Goloskokov and Kroll. We highlight the impact of the precision, correlation and kinematic coverage of lattice data on GPD extraction at moderate $$\xi $$ ξ which has only been brushed in the literature so far, paving the way for a joint extraction of GPDs.

Physics↗

The public health exposome and pregnancy-related mortality in the United States: a high-dimensional computational analysis

Racial inequities in maternal mortality in the U.S. continue to be stark. The 2015–2018, 4-year total population, county-level, pregnancy-related mortality ratio (PRM; deaths per 100,000 live births; National Center for Health Statistics (NCHS), restricted use mortality file) was linked with the Public Health Exposome (PHE). Using data reduction techniques, 1591 variables were extracted from over 62,000 variables for use in this analysis, providing information on the relationships between PRM and the social, health and health care, natural, and built environments. Graph theoretical algorithms and Bayesian analysis were applied to PHE/PRM linked data to identify latent networks. PHE variables most strongly correlated with total population PRM were years of potential life lost and overall life expectancy. Population-level indicators of PRM were overall poverty, smoking, lack of exercise, heat, and lack of adequate access to food. In this high-dimensional analysis, overall life expectancy, poverty indicators, and health behaviors were found to be the strongest predictors of pregnancy-related mortality. This provides strong evidence that maternal death is part of a broader constellation of both similar and unique health behaviors, social determinants and environmental exposures as other causes of death.

60 APPLIED LIFE SCIENCES↗

Decentralized Signal Processing and Distributed Control of Collaborative Autonomous Networks (17-ERD-101 LDRD Final Report)

Intelligent autonomous sensor networks, often comprised of large numbers of sensors, must be capable of jointly exploiting data collected at each agent in the network, and using that data to optimize their future actions towards multiple mission objectives. Centralized signal processing and optimization solutions process all data and determine all future actions at a single agent, and the resulting information and commands are disseminated back to the network. The communications bandwidth this requires and the single point of failure the central agent represents often make these solutions untenable for national security applications. In this project, several fundamental algorithms for solving both the decentralized signal processing and network optimization were developed, as well as simulation software to validate the results of these algorithms at scale. Specifically, novel algorithms for Bayesian decentralized estimation and decentralized detection and optimization based on the alternating direction method of multipliers (ADMM) were developed for autonomous sensor networks and published in the literature. The first large scale simulation of autonomous sensor networks (1000 agents) was conducted on this project, validating the performance of the developed algorithms. These algorithms and simulation tools are critical components of any decentralized autonomous network and have current and future national security applications, including distributed sensor networks for detection, estimation, and tracking problems, and large decentralized cyber-physical infrastructure such as the power grid.

42 ENGINEERING↗

PINN surrogate of Li-ion battery models for parameter inference, Part I: Implementation and multi-fidelity hierarchies for the single-particle model

To plan and optimize energy storage demands that account for Li-ion battery aging dynamics, techniques need to be developed to diagnose battery internal states accurately and rapidly. Here, this study seeks to reduce the computational resources needed to determine a battery's internal states by replacing physics-based Li-ion battery models - such as the single-particle model (SPM) and the pseudo-2D (P2D) model - with a physics-informed neural network (PINN) surrogate. The surrogate model makes high-throughput techniques, such as Bayesian calibration, tractable to determine battery internal parameters from voltage responses. This manuscript is the first of a two-part series that introduces PINN surrogates of Li-ion battery models for parameter inference (i.e., state-of-health diagnostics). In this first part, a method is presented for constructing a PINN surrogate of the SPM. A multi-fidelity hierarchical training, where several neural nets are trained with multiple physics-loss fidelities is shown to significantly improve the surrogate accuracy when only training on the governing equation residuals. The implementation is made available in a companion repository (https://github.com/NREL/PINNSTRIPES). The techniques used to develop a PINN surrogate of the SPM are extended in Part II for the PINN surrogate for the P2D battery model, and explore the Bayesian calibration capabilities of both surrogates.

25 ENERGY STORAGE↗

Physics-Informed Machine Learning of Dynamical Systems for Efficient Bayesian Inference

Although the no-u-turn sampler (NUTS) is a widely adopted method for performing Bayesian inference, it requires numerous posterior gradients which can be expensive to compute in practice. Recently, there has been a significant interest in physics-based machine learning of dynamical (or Hamiltonian) systems and Hamiltonian neural networks (HNNs) is a noteworthy architecture. But these types of architectures have not been applied to solve Bayesian inference problems efficiently. We propose the use of HNNs for performing Bayesian inference efficiently without requiring numerous posterior gradients. We introduce latent variable outputs to HNNs (L-HNNs) for improved expressivity and reduced integration errors. We integrate L-HNNs in NUTS and further propose an online error monitoring scheme to prevent sampling degeneracy in regions where L-HNNs may have little training data. We demonstrate L-HNNs in NUTS with online error monitoring consider several complex high-dimensional posterior densities and compare its performance to NUTS.

97 MATHEMATICS AND COMPUTING↗

Training Spiking Neural Networks Using Combined Learning Approaches

Spiking neural networks (SNNs), the class of neural networks used in neuromorphic computing, are difficult to train using traditional back-propagation techniques. Spike timingdependent plasticity (STDP) is a biologically inspired learning mechanism that can be used to train SNNs. Evolutionary algorithms have also been demonstrated as a method for training SNNs. In this work, we explore the relationship between these two training methodologies. We evaluate STDP and evolutionary optimization as standalone methods for training networks, and also evaluate a combined approach where STDP weight updates are applied within an evolutionary algorithm. We also apply Bayesian hyperparameter optimization as a meta learner for each of the algorithms. We find that STDP by itself is not an ideal learning rule for randomly connected networks, while the inclusion of STDP within an evolutionary algorithm leads to similar performance, with a few interesting differences. This study suggests future work in understanding the relationship between network topology and learning rules.

Elbrecht, Daniel↗

Statistically-informed deep learning for gravitational wave parameter estimation

We introduce deep learning models to estimate the masses of the binary components of black hole mergers, $(m_1,m_2)$, and three astrophysical properties of the post-merger compact remnant, namely, the final spin, $a_\mathrm f$, and the frequency and damping time of the ringdown oscillations of the fundamental $\ell = m = 2$ bar mode, $(\omega_\mathrm R, \omega_\mathrm I)$. Our neural networks combine a modified WaveNet architecture with contrastive learning and normalizing flow. We validate these models against a Gaussian conjugate prior family whose posterior distribution is described by a closed analytical expression. Upon confirming that our models produce statistically consistent results, we used them to estimate the astrophysical parameters $(m_1,m_2, a_\mathrm f, \omega_\mathrm R, \omega_\mathrm I)$ of five binary black holes: GW150914, GW170104, GW170814, GW190521 and GW190630. We use PyCBC Inference to directly compare traditional Bayesian methodologies for parameter estimation with our deep learning based posterior distributions. Our results show that our neural network models predict posterior distributions that encode physical correlations, and that our data-driven median results and 90% confidence intervals are similar to those produced with gravitational wave Bayesian analyses. This methodology requires a single V100 NVIDIA GPU to produce median values and posterior distributions within two milliseconds for each event. Furthermore, this neural network, and a tutorial for its use, are available at the Data and Learning Hub for Science.

79 ASTRONOMY AND ASTROPHYSICS↗