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At least 1,207 records · Page 67

$\text{GPLaSDI}$: Gaussian Process-based interpretable Latent Space Dynamics Identification through deep autoencoder

Numerically solving partial differential equations (PDEs) can be challenging and computationally expensive. This has led to the development of reduced-order models (ROMs) that are accurate but faster than full order models (FOMs). Recently, machine learning advances have enabled the creation of non-linear projection methods, such as Latent Space Dynamics Identification (LaSDI). LaSDI maps full-order PDE solutions to a latent space using autoencoders and learns the system of ODEs governing the latent space dynamics. By interpolating and solving the ODE system in the reduced latent space, fast and accurate ROM predictions can be made by feeding the predicted latent space dynamics into the decoder. In this paper, we introduce GPLaSDI, a novel LaSDI-based framework that relies on Gaussian process (GP) for latent space ODE interpolations. Using GPs offers two significant advantages. First, it enables the quantification of uncertainty over the ROM predictions. Second, leveraging this prediction uncertainty allows for efficient adaptive training through a greedy selection of additional training data points. This approach does not require prior knowledge of the underlying PDEs. Consequently, GPLaSDI is inherently non-intrusive and can be applied to problems without a known PDE or its residual. Here we demonstrate the effectiveness of our approach on the Burgers equation, Vlasov equation for plasma physics, and a rising thermal bubble problem. Our proposed method achieves between 200 and 100,000 times speed-up, with up to 7% relative error.

97 MATHEMATICS AND COMPUTING↗

Introduction to the Bioproduct Transition Dynamics Model

The U.S. Department of Energy, Bioenergy Technologies Office has a broad understanding of different conversion processes that produce bioproducts (chemicals derived from biomass feedstocks) and the market attributes of those processes. However, bioproducts have in many cases proven to be difficult to scale up to commercial production and bring to market, and there is currently a need for greater understanding around the possible successful scenarios for advancing the bioproducts industry. Insight into the myriad factors that impact the success of individual bioproducts and the growth of the bioproducts industry will enable bioproduct stakeholders to evaluate strategies for development and investment that could achieve the greatest impact. An understanding of these factors will also enable the identification of synergies between the bioproducts and biofuels industries that occur through shared learning and co-production. The Bioproduct Transition Dynamics (BTD) model explores questions such as the following: what are the factors that separate a successful, commercially produced bioproduct like succinic acid from one that never progresses beyond bench-scale lab research? Can these factors be influenced by stakeholders, and to what extent? The BTD model uses system dynamics to capture the impacts of investor decision-making, bioproduct techno-economics, and market factors during the early stages of bioproduct development. Key components of the BTD model include techno-economic benchmarks that inform the investor decision-making process, failures and setbacks in development and the resulting need for additional work, and the impacts of effective or ineffective management during each development stage. These factors and their interactions are tracked through bench-scale laboratory research, piloting, demoing, and the construction and operation of the first commercial-scale plant. Bioproduct development is linked to the biofuels industry through a shared-learning model, enabling the benefit to biofuels from bioproduct technology and feedstock supply chain development to be quantified. A wide variety of bioproducts can be analyzed using the BTD model, including bioproducts that have been developed through economic or policy-driven mechanisms, and those with either niche (low volume) or scalable (high volume) markets. The BTD model also has the potential to apply to technology development processes outside the bioproducts industry; background research performed for this project has shown that the early stages of technology development are similar, and impacted by similar factors, regardless of the exact industry. This presentation will cover the BTD model logic, input data, validation process, and results of a sensitivity analysis based on techno-economic data for succinic acid. The sensitivity analysis was performed to identify factors with the largest impact on the eventual success or failure of a bioproduct. Results indicate that management effectiveness, which affects how efficiently money spent is converted into technological advancements, is the single most important factor in determining whether a bioproduct reaches commercial-scale production. The capacity of the first commercial plant and the type of biomass feedstock used, as well as the presence of government support in the form of cost-sharing, were also identified as significant factors.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

A System Dynamics Model of Early-Stage Transition Dynamics in the Bioproducts Industry

The U.S. Department of Energy, Bioenergy Technologies Office has a broad understanding of different conversion processes that produce bioproducts (chemicals derived from biomass feedstocks) and the techno-economic attributes of those processes. However, bioproducts have in many cases proven to be difficult to scale up to commercial production, and there is currently a need for greater understanding around the possible successful scenarios for advancing the bioproducts industry. Insight into the myriad factors that impact the success of individual bioproducts and the growth of the bioproducts industry will enable bioproduct stakeholders to evaluate strategies for development and investment that could achieve the greatest impact. An understanding of these factors will also enable the identification of synergies between the bioproducts and biofuels industries that occur through shared learning and co-production. The Bioproduct Transition Dynamics (BTD) model explores questions such as the following: what are the factors that separate a successful, commercially produced bioproduct like succinic acid from one that never progresses beyond bench-scale lab research? Can these factors be influenced by stakeholders, and to what extent? The BTD model uses system dynamics to capture the impacts of investor decision-making, bioproduct techno-economics, and end use factors during the early stages of bioproduct development. Key components of the BTD model include techno-economic benchmarks that inform the investor decision-making process, failures and setbacks in development and the resulting need for additional work, and the impacts of effective or ineffective management during each development stage. These factors and their interactions are tracked through bench-scale laboratory research, piloting, demoing, and the construction and operation of the first commercial-scale plant. Bioproduct development is linked to the biofuels industry through a shared-learning model, enabling the benefit to biofuels from bioproduct technology and feedstock supply chain development to be quantified. A wide variety of bioproducts can be analyzed using the BTD model, including bioproducts that have been developed through economic or policy-driven mechanisms, and those with either niche (low volume) or scalable (high volume) demand. The BTD model also has the potential to apply to technology development processes outside the bioproducts industry; background research performed for this project has shown that the early stages of technology development are similar, and impacted by similar factors, regardless of the exact industry. This presentation will cover the BTD model logic, input data, validation process, and results of a sensitivity analysis based on techno-economic data for succinic acid. The sensitivity analysis was performed to identify factors with the largest impact on the eventual success or failure of a bioproduct. Results indicate that management effectiveness, which affects how efficiently money spent is converted into technological advancements, is the single most important factor in determining whether a bioproduct reaches commercial-scale production. The capacity of the first commercial plant and the type of biomass feedstock used, as well as the presence of government support in the form of cost-sharing, were also identified as significant factors.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Exploring the Structural, Dynamic, and Functional Properties of Metal–Organic Frameworks through Molecular Modeling

This review spotlights the role of atomic-level modeling in research on metal-organic frameworks (MOFs), especially the key methodologies of density functional theory (DFT), Monte Carlo (MC) simulations, and molecular dynamics (MD) simulations. The discussion focuses on how periodic and cluster-based DFT calculations can provide novel insights into MOF properties, with a focus on predicting structural transformations, understanding thermodynamic properties and catalysis, and providing information or properties that are fed into classical simulations such as force field parameters or partial charges. Classical simulation methods, highlighting force field selection, databases of MOFs for high-throughput screening, and the synergistic nature of MC and MD simulations, are described. By predicting equilibrium thermodynamic and dynamic properties, these methods offer a wide perspective on MOF behavior and mechanisms. Additionally, the incorporation of machine learning (ML) techniques into quantum and classical simulations is discussed. These methods can enhance accuracy, expedite simulation setup, reduce computational costs, as well as predict key parameters, optimize geometries, and estimate MOF stability. By charting the growth and promise of computational research in the MOF field, the aim is to provide insights and recommendations to facilitate the incorporation of computational modeling more broadly into MOF research.

36 MATERIALS SCIENCE↗

tLaSDI: Thermodynamics-informed latent space dynamics identification

Here we propose a latent space dynamics identification method, namely tLaSDI, that embeds the first and second principles of thermodynamics. The latent variables are learned through an autoencoder as a nonlinear dimension reduction model. The latent dynamics are constructed by a neural network-based model that precisely preserves certain structures for the thermodynamic laws through the GENERIC formalism. An abstract error estimate is established, which provides a new loss formulation involving the Jacobian computation of autoencoder. The autoencoder and the latent dynamics are simultaneously trained to minimize the new loss. Computational examples demonstrate the effectiveness of tLaSDI, which exhibits robust generalization ability, even in extrapolation. In addition, an intriguing correlation is empirically observed between a quantity from tLaSDI in the latent space and the behaviors of the full-state solution.

97 MATHEMATICS AND COMPUTING↗

Avoiding fusion plasma tearing instability with deep reinforcement learning

For stable and efficient fusion energy production using a tokamak reactor, it is essential to maintain a high-pressure hydrogenic plasma without plasma disruption. Therefore, it is necessary to actively control the tokamak based on the observed plasma state, to manoeuvre high-pressure plasma while avoiding tearing instability, the leading cause of disruptions. This presents an obstacle-avoidance problem for which artificial intelligence based on reinforcement learning has recently shown remarkable performance. However, the obstacle here, the tearing instability, is difficult to forecast and is highly prone to terminating plasma operations, especially in the ITER baseline scenario. Previously, we developed a multimodal dynamic model that estimates the likelihood of future tearing instability based on signals from multiple diagnostics and actuators. Here we harness this dynamic model as a training environment for reinforcement-learning artificial intelligence, facilitating automated instability prevention. We demonstrate artificial intelligence control to lower the possibility of disruptive tearing instabilities in DIII-D, the largest magnetic fusion facility in the United States. The controller maintained the tearing likelihood under a given threshold, even under relatively unfavourable conditions of low safety factor and low torque. In particular, it allowed the plasma to actively track the stable path within the time-varying operational space while maintaining H-mode performance, which was challenging with traditional preprogrammed control. This controller paves the path to developing stable high-performance operational scenarios for future use in ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Thermodynamics-informed latent space dynamics identification

This software showcases a latent space dynamics identification method, namely tLaSDI, that embeds the first and second principles of thermodynamics. The latent variables are learned through an autoencoder as a nonlinear dimension reduction model. The latent dynamics are constructed by a neural network-based model that precisely preserves certain structures for the thermodynamic laws through the GENERIC formalism. An abstract error estimate is established, which provides a new loss formulation involving the Jacobian computation of autoencoder. The autoencoder and the latent dynamics are simultaneously trained to minimize the new loss. Computational examples demonstrate the effectiveness of tLaSDI, which exhibits robust generalization ability, even in extrapolation. In addition, an intriguing correlation is empirically observed between a quantity from tLaSDI in the latent space and the behaviors of the full-state solution.

Cheung, Siu Wun↗

Semi-Supervised Learning of Lift Optimization of Multi-Element Three-Segment Variable Camber Airfoil

This chapter describes a new intelligent platform for learning optimal designs of morphing wings based on Variable Camber Continuous Trailing Edge Flaps (VCCTEF) in conjunction with a leading edge flap called the Variable Camber Krueger (VCK). The new platform consists of a Computational Fluid Dynamics (CFD) methodology coupled with a semi-supervised learning methodology. The CFD component of the intelligent platform comprises of a full Navier-Stokes solution capability (NASA OVERFLOW solver with Spalart-Allmaras turbulence model) that computes flow over a tri-element inboard NASA Generic Transport Model (GTM) wing section. Various VCCTEF/VCK settings and configurations were considered to explore optimal design for high-lift flight during take-off and landing. To determine globally optimal design of such a system, an extremely large set of CFD simulations is needed. This is not feasible to achieve in practice. To alleviate this problem, a recourse was taken to a semi-supervised learning (SSL) methodology, which is based on manifold regularization techniques. A reasonable space of CFD solutions was populated and then the SSL methodology was used to fit this manifold in its entirety, including the gaps in the manifold where there were no CFD solutions available. The SSL methodology in conjunction with an elastodynamic solver (FiDDLE) was demonstrated in an earlier study involving structural health monitoring. These CFD-SSL methodologies define the new intelligent platform that forms the basis for our search for optimal design of wings. Although the present platform can be used in various other design and operational problems in engineering, this chapter focuses on the high-lift study of the VCK-VCCTEF system. Top few candidate design configurations were identified by solving the CFD problem in a small subset of the design space. The SSL component was trained on the design space, and was then used in a predictive mode to populate a selected set of test points outside of the given design space. The new design test space thus populated was evaluated by using the CFD component by determining the error between the SSL predictions and the true (CFD) solutions, which was found to be small. This demonstrates the proposed CFD-SSL methodologies for isolating the best design of the VCK-VCCTEF system, and it holds promise for quantitatively identifying best designs of flight systems, in general.

Intelligent Systems↗

Design issues of a reinforcement-based self-learning fuzzy controller for petrochemical process control

Fuzzy logic controllers have some often-cited advantages over conventional techniques such as PID control, including easier implementation, accommodation to natural language, and the ability to cover a wider range of operating conditions. One major obstacle that hinders the broader application of fuzzy logic controllers is the lack of a systematic way to develop and modify their rules; as a result the creation and modification of fuzzy rules often depends on trial and error or pure experimentation. One of the proposed approaches to address this issue is a self-learning fuzzy logic controller (SFLC) that uses reinforcement learning techniques to learn the desirability of states and to adjust the consequent part of its fuzzy control rules accordingly. Due to the different dynamics of the controlled processes, the performance of a self-learning fuzzy controller is highly contingent on its design. The design issue has not received sufficient attention. The issues related to the design of a SFLC for application to a petrochemical process are discussed, and its performance is compared with that of a PID and a self-tuning fuzzy logic controller.

Yen, John↗

Learning Based Edge Computing in Air-to-Air Communication Network

This paper studies learning-based edge computing and communication in a dynamic Air-to-Air Ad-hoc Network (AAAN). Due to spectrum scarcity, we assume the number of Air-to-Air (A2A) communication links is greater than that of the available frequency channels, such that some communication links have to share the same channel, causing co-channel interference. We formulate the joint channel selection and power control optimization problem to maximize the aggregate spectrum utilization efficiency under resource and fairness constraints. A distributed deep Q learning-based edge computing and communication algorithm is proposed to find the optimal solution. In particular, we design two different neural network structures and each communication link can converge to the optimal operation by exploiting only the local information from its neighbors, making it scalable to large networks. Finally, experimental results demonstrate the effectiveness of the proposed solution in various AAAN scenarios.

Zhe Wang↗

Estimating building occupancy: a machine learning system for day, night, and episodic events

Building occupancy research increasingly emphasizes understanding the social and physical dynamics of how people occupy space. Opportunities in the open source domain including social media, Volunteered Geographic Information, crowdsourcing, and sensor data have proliferated, resulting in the exploration of building occupancy dynamics at varying spatiotemporal scales. At Oak Ridge National Laboratory, research into building occupancies through the development of a global learning framework that accommodates exploitation of open source authoritative sources, including governmental census and surveys, journal articles, real estate databases, and more, to report national and subnational building occupancies across the world continues through the Population Density Tables (PDT) project. This probabilistic learning system accommodates expert knowledge, experience, and open-source data to capture local, socioeconomic, and cultural information about human activity. It does so through a systematic process of data harmonization techniques in the development of observation models for over 50 building types to dynamically update baseline estimates and report probabilistic diurnal and episodic building occupancy estimates. This discussion will explore how PDT is implemented at scale and expanded based on the development of observation model classes and will explain how to interpret and spatially apply the reported probability occupancy estimates and uncertainty.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Temporally-consistent koopman autoencoders for forecasting dynamical systems

Absence of sufficiently high-quality data often poses a key challenge in data-driven modeling of high-dimensional spatio-temporal dynamical systems. Koopman Autoencoders (KAEs) harness the expressivity of deep neural networks (DNNs), the dimension reduction capabilities of autoencoders, and the spectral properties of the Koopman operator to learn a reduced-order feature space with simpler, linear dynamics. However, the effectiveness of KAEs is hindered by limited and noisy training datasets, leading to poor generalizability. To address this, we introduce the Temporally-Consistent Koopman Autoencoder (tcKAE), designed to generate accurate long-term predictions even with limited and noisy training data. This is achieved through a consistency regularization term that enforces prediction coherence across different time steps, thus enhancing the robustness and generalizability of tcKAE over existing models. We provide analytical justification for this approach based on Koopman spectral theory and empirically demonstrate tcKAE’s superior performance over state-of-the-art KAE models across a variety of test cases, including simple pendulum oscillations, kinetic plasma, and fluid flow data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A Length Adaptive Algorithm-Hardware Co-design of Transformer on FPGA Through Sparse Attention and Dynamic Pipelining

Transformers are considered one of the most important deep learning models since 2018, in part because it establishes state-of-the-art (SOTA) records and could potentially replace existing Deep Neural Networks (DNNs). Despite the remarkable triumphs, the prolonged turnaround time of Transformer models is a widely recognized roadblock. The variety of sequence lengths imposes additional computing overhead where inputs need to be zero-padded to the maximum sentence length in the batch to accommodate the parallel computing platforms. This paper targets the field-programmable gate array (FPGA) and proposes a coherent sequence length adaptive algorithm–hardware co-design for Transformer acceleration. Particularly, we develop a hardware-friendly sparse attention operator and a length-aware hardware resource scheduling algorithm. The proposed sparse attention operator brings the complexity of attention-based models down to linear complexity and alleviates the off-chip memory traffic. The proposed length-aware resource hardware scheduling algorithm dynamically allocates the hardware resources to fill up the pipeline slots and eliminates bubbles for NLP tasks. Experiments show that our design has very small accuracy loss and has 80.2 × and 2.6 × speedup compared to CPU and GPU implementation, and 4 × higher energy efficiency than state-of-the-art GPU accelerator optimized via CUBLAS GEMM.

Peng, Hongwu↗

Effects of bursting dynamic features on the generation of multi-clustered structure of neural network with symmetric spike-timing-dependent plasticity learning rule

In this paper, the generation of multi-clustered structure of self-organized neural network with different neuronal firing patterns, i.e., bursting or spiking, has been investigated. The initially all-to-all-connected spiking neural network or bursting neural network can be self-organized into clustered structure through the symmetric spike-timing-dependent plasticity learning for both bursting and spiking neurons. However, the time consumption of this clustering procedure of the burst-based self-organized neural network (BSON) is much shorter than the spike-based self-organized neural network (SSON). Our results show that the BSON network has more obvious small-world properties, i.e., higher clustering coefficient and smaller shortest path length than the SSON network. Also, the results of larger structure entropy and activity entropy of the BSON network demonstrate that this network has higher topological complexity and dynamical diversity, which benefits for enhancing information transmission of neural circuits. Hence, we conclude that the burst firing can significantly enhance the efficiency of clustering procedure and the emergent clustered structure renders the whole network more synchronous and therefore more sensitive to weak input. This result is further confirmed from its improved performance on stochastic resonance. Therefore, we believe that the multi-clustered neural network which self-organized from the bursting dynamics has high efficiency in information processing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Smart Congestion Control for Delay- and Disruption Tolerant Networks

In this paper, we propose a novel congestion control framework for delay- and disruption tolerant networks (DTNs). The proposed framework, called Smart-DTN-CC, adjusts its operation automatically as a function of the dynamics of the underlying network. It employs reinforcement learning, a machine learning technique known to be well suited to problems in which the environment, in this case the network, plays a crucial role; yet, no prior knowledge about the target environment can be assumed, i.e., the only way to acquire information about the environment is to interact with it through continuous online learning. Smart-DTN-CC nodes get input from the environment (e.g., its buffer occupancy, set of neighbors, etc), and, based on that information, choose an action to take from a set of possible actions. Depending on an action’s effectiveness in controlling congestion, it will be given a reward. Smart-DTN-CC’s goal is to maximize the overall reward which translates to minimizing congestion. To our knowledge, Smart-DTN-CC is the first DTN congestion control framework that has the ability to automatically and continuously adapt to the dynamics of the target environment which allows Smart-DTNCC to deliver adequate performance in a variety of DTN applications and scenarios. As demonstrated by our experimental evaluation, Smart-DTN-CC is able to consistently outperform existing DTN congestion control mechanisms under a wide range of network conditions and characteristics.

Hirata, Celso M.↗

PDA: A coupling of knowledge and memory for case-based reasoning

Problem solving in most domains requires reference to past knowledge and experience whether such knowledge is represented as rules, decision trees, networks or any variant of attributed graphs. Regardless of the representational form employed, designers of expert systems rarely make a distinction between the static and dynamic aspects of the system's knowledge base. The current paper clearly distinguishes between knowledge-based and memory-based reasoning where the former in its most pure sense is characterized by a static knowledge based resulting in a relatively brittle expert system while the latter is dynamic and analogous to the functions of human memory which learns from experience. The paper discusses the design of an advisory system which combines a knowledge base consisting of domain vocabulary and default dependencies between concepts with a dynamic conceptual memory which stores experimental knowledge in the form of cases. The case memory organizes past experience in the form of MOPs (memory organization packets) and sub-MOPs. Each MOP consists of a context frame and a set of indices. The context frame contains information about the features (norms) common to all the events and sub-MOPs indexed under it.

Bharwani, S.↗

Dynamic Channel Assignments for Efficient Use of Aviation Spectrum Allocations

The demand for voice and data communications continues to rise with the emergence of new aerial vehicles into the airspace and the continued growth of aviation operations throughout the National Airspace System (NAS). Recent studies have shown that the anticipated growing demand for spectrum resources will exceed the capacity of existing aviation spectrum allocations. Further, airspace configurations, via assignment of fixed channel allocations within standard service volumes, do not allow for the dynamic and efficient distribution of spectrum resources based on airspace demand; as a result, a new approach to aviation spectrum management is needed to support the forecasted needs of new airspace users. The National Aeronautics and Space Administration (NASA) is investigating applications of artificial intelligence (AI), machine learning (ML), and other advanced concepts to solve a dynamic constraint satisfaction problem which is analogous to the frequency assignment problem faced by aviation. Procedures and strategies for dynamic channel allocation can be borrowed from other large-scale mobile services (i.e., 4G/5G applications) and can provide a novel spectrum management approach that allows for the intelligent utilization of aviation spectrum throughout the airspace while maintaining the strict quality of service prescribed by aeronautical standards.

communications↗

Dynamic Channel Assignments for Efficient Use of Aviation Spectrum Allocations

The demand for voice and data communications continues to rise with the emergence of new aerial vehicles into the airspace and the continued growth of aviation operations throughout the National Airspace System (NAS). Recent studies have shown that the anticipated growing demand for spectrum resources will exceed the capacity of existing aviation spectrum allocations. Further, airspace configurations, via assignment of fixed channel allocations within standard service volumes, do not allow for the dynamic and efficient distribution of spectrum resources based on airspace demand; as a result, a new approach to aviation spectrum management is needed to support the forecasted needs of new airspace users. The National Aeronautics and Space Administration (NASA) is investigating applications of artificial intelligence (AI), machine learning (ML), and other advanced concepts to solve a dynamic constraint satisfaction problem which is analogous to the frequency assignment problem faced by aviation. Procedures and strategies for dynamic channel allocation can be borrowed from other large-scale mobile services (i.e., 4G/5G applications) and can provide a novel spectrum management approach that allows for the intelligent utilization of aviation spectrum throughout the airspace while maintaining the strict quality of service prescribed by aeronautical standards.

Communications↗