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At least 73 records · Page 4

Computational Approaches for Clean Energy Materials

Currently, 80% of the global final energy consumption occurs in form of fuels and only 20% as electricity. On the other hand, renewable energy additions come almost exclusively in the form of electricity (dominantly photovoltaics and wind). Thus, a successful energy transition will require enormous growth in renewables, sufficient to convert excess electricity into fuels, as well as the development of non-electricity based solar fuel technologies. As much as photovoltaic capacities have grown over the past 20 years, it is far from clear that current technologies and materials are up to the task to grow from here by yet another factor 100 until 2050. Therefore, sustained research efforts on emerging inorganic semiconductors for solar electricity and fuels are essential for facing the double challenge of climate change and energy security. Computational materials science can make important contributions, guiding and supporting research activities through both materials search and discovery and through detailed studies that help to develop a mechanistic understanding of materials performance and bottlenecks. This presentation will highlight three recent computational projects with relevance for photovoltaics and solar fuels (1) Defect graph neural networks (dGNN) for materials discovery in solar thermochemical hydrogen (STCH) [1]. The dGNN approach facilitates broad and fast materials screening for defect properties. (2) Modeling highly off-stoichiometric systems by evaluating the free energy of defect interaction [2]. This approach allows quantitative prediction of H2 production in complex STCH oxides. (3) First-principles atomic structure prediction for interfaces [3]. This work showed how an atomically thin CdCl2 interlayer phase enables in principle ideal electron transport across the incommensurate SnO2/CdTe interface. [1] M.D. Witman, A. Goyal, T. Ogitsu, A.H. McDaniel, S. Lany, Nat. Comput. Sci. (2023). https://doi.org/10.1038/s43588-023-00495-2. [2] A. Goyal, M.D. Sanders, R.P. O'Hayre, S. Lany, PRX Energy 3, 013008 (2024). https://doi.org/10.1103/PRXEnergy.3.013008. [3] A. Sharan, M. Nardone, D. Krasikov, N. Singh, S. Lany, Appl. Phys. Rev. 9, 041411 (2022). https://doi.org/10.1063/5.0104008.

density functional theory↗

Quantum Annealing for Real-World Machine Learning Applications

Optimizing the training of a machine learning pipeline is important for reducing training costs and improving model performance. One such optimizing strategy is quantum annealing, which is an emerging computing paradigm that has shown potential in optimizing the training of a machine learning model. The implementation of a physical quantum annealer has been realized by D-Wave systems and is available to the research community for experiments. Recent experimental results on a variety of machine learning applications have shown interesting results especially under the conditions where the performance of classical machine learning techniques are limited such as limited training data and high dimensional features. This chapter explores the application of D-Wave’s quantum annealer for optimizing machine learning pipelines for real-world classification problems. We review the application domains on which a physical quantum annealer has been used to train machine learning classifiers. We discuss and analyze the experiments performed on the D-Wave quantum annealer for applications such as image recognition, remote sensing imagery, security, computational biology, biomedical sciences, and physics. We discuss the possible advantages and the problems for which quantum annealing is likely to be advantageous over classical computation.

Kumar nath, Rajdeep↗

Behavior-based approach to misuse detection of a simulated SCADA system - 339

This paper presents the initial findings in applying a behavior-based approach for detection of unauthorized activities in a simulated Supervisory Control and Data Acquisition (SCADA) system. Misuse detection of this type utilizes fault-free system telemetry to develop empirical models that learn normal system behavior. Future monitored telemetry sources that show statistically significant deviations from this learned behavior may indicate an attack or other unwanted actions. The experimental test bed consists of a set of Linux based enterprise servers that were isolated from a larger university research cluster. All servers are connected to a private network and simulate several components and tasks seen in a typical SCADA system. Telemetry sources included kernel statistics, resource usages and internal system hardware measurements. For this study, the Auto Associative Kernel Regression (AAKR) and Auto Associative Multivariate State Estimation Technique (AAMSET) are employed to develop empirical models. Prognostic efficacy of these methods for computer security used several groups of signals taken from available telemetry classes. The Sequential Probability Ratio Test (SPRT) is used along with these models for intrusion detection purposes. The different intrusion types shown include host/network discovery, DoS, brute force login, privilege escalation and malicious exfiltration actions. For this study, all intrusion types tested displayed alterations in the residuals of much of the monitored telemetry and were able to be detected in all signal groups used by both model types. The methods presented can be extended and implemented to industries besides nuclear that use SCADA or business-critical networks. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

WPTO Navigator

Protecting hydroelectric plants from incidents that adversely impact their cyber-physical systems presents unique challenges due to the plants’ widely dispersed geographic locations and varied configurations as well as the relative nascent nature of the cyberattacks targeting these facilities. To help hydroelectric plants better respond to and mitigate cybersecurity incidents, this Department of Energy Water Power Technologies Office Navigator aligns the processes within the National Institute of Standards 800-61r2 Computer Security Incident Handling Guide with the emergency actions within the FEMA 64 Emergency Action Plan Framework. This work is to be used at a hydroelectric plant to quickly understand how the plant responds to a cyber incident in relationship to the actions involved in an emergency action plan involving a hydroelectric plant. In addition to this product, there are three other products meant to be distributed to a hydroelectric plant to assist in their cyber incident response and recovery. The first, a report on the processes of building a R&R flip book based on a large set of existing guidance. The second, a handy flip book meant to be distributed to hydroelectric plants to assist them during a cybersecurity incident occurring on a hydroelectic plant. And the third is a comprehensive set of resources to assist an operator in locating appropriate guidance during the recovery process.

13 HYDRO ENERGY↗

Multifractal Characterization of Distribution Synchrophasors for Cybersecurity Defense of Smart Grids

“Source ID Mix” spoofing emerged as a new type of cyber-attack on Distribution Synchrophasors (DS) where adversaries have the capability to swap the source information of DS without changing the measurement values. Accurate detection of such a highly-deceptive attack is a challenging task especially when the spoofing attack happens on short fragments of DS recorded within a relatively small geographical scale. Herein this letter proposes an effective approach to detect this cyber-attack by realizing the multifractal characteristics of DS measurements. First, the multifractal cross-correlation of DS measured at multiple intra-state locations is revealed. Then the derived correlation is integrated with weighted two-dimensional multifractal surface interpolation to reconstruct quasi high-resolution signals. Finally, informative location-specific signatures are extracted from the high-resolution DS and they are integrated with advanced machine learning techniques for source authentication. Experiments using the real-life DS are performed to verify the proposed method.

24 POWER TRANSMISSION AND DISTRIBUTION↗

eZeeKonfigurator v1.0

eZeeKonfigurator is a web application and supporting tools for configuring Zeek (formerly Bro) systems. Zeek is an open-source tool developed at LBNL that's used to secure computer networks. A recent version of Zeek introduced the configuration framework, where changes can be made while the system is running. However, the provided method is difficult to operationalize, as it requires a set of text files to be deployed and updated across all the Zeek systems. eZeeKonfigurator provides an easy-to-use web interface to this. Users can view and modify options in a web application, and then those changes are deployed to the desired Zeek systems. Additionally, users benefit from additional features, such as: * Logging and auditing, to determine who made what change and when * Automated expiration of changes (e.g. an exception is added for 2 weeks, after which time it will be removed) * Validation of changes and verification that the change has been applied * Fine-grained role-based access

Grigorescu, Vlad↗

GPS Spoofing Mitigation and Timing Risk Analysis in Networked Phasor Measurement Units via Stochastic Reachability

To address phasor measurement unit (PMU) vulnerability to spoofing, we propose the use of a set-valued state estimation technique known as stochastic reachability (SR)-based distributed Kalman filter (DKF) that computes secure global positioning system (GPS) timing across a network of receivers. Utilizing SR, we estimate not only GPS time but also its stochastic reachable set, which is parameterized by probabilistic zonotope (p-Zonotope). While requiring known measurement error bounds in only non-spoofed conditions, we designed a two-tiered approach. We first performed measurement-level spoofing mitigation via deviation of a measurement innovation from its expected p-Zonotope. We then performed state-level timing risk analysis via a determination of the intersection probability of the estimated p-Zonotope with an unsafe set that violates IEEE C37.118.1a-2014 standards. Finally, we validated our SR-DKF algorithm by subjecting it to a simulated receiver network to coordinate signal-level spoofing. We demonstrate improved timing accuracy and successful spoofing mitigation via the use of our SR-DKF algorithm. We also validated the robustness of the estimated timing risk as the number of receivers were varied.

47 OTHER INSTRUMENTATION↗

Multi-Agent Control Planes for Quantum Networks: A Scalable Architecture for Autonomous Quantum Internet Management

Quantum networks are expected to enable distributed quantum computing, secure communication, and global entanglement distribution. However, operating such networks presents significant challenges, including stochastic quantum processes, fragile entanglement resources, dynamic topology, and cross-layer control requirements. Current quantum network control architectures largely rely on centralized or hierarchical controllers inspired by classical software-defined networking (SDN). While effective for small testbeds, these approaches face scalability, latency, and reliability limitations as quantum networks grow. This paper proposes a multi-agent control plane architecture for quantum networks. In this design, intelligent software agents operate at quantum nodes, repeaters, and orchestration layers, collectively managing entanglement generation, routing, purification, and scheduling. The distributed intelligence of the agent system allows the network to adapt dynamically to quantum hardware variability and environmental noise. We argue that multi-agent systems provide significant advantages over centralized control approaches, including scalability, resilience, local autonomy, and real-time adaptation. The paper discusses architectural design principles, agent coordination mechanisms, and research challenges in deploying multi-agent control planes for the emerging quantum Internet.

Alnajjar, Anees [ORNL] (ORCID:0000000237101601)↗

Security and Trust Metrics for Edge Computing

The present state of edge computing is an environment of different computing capabilities connected via a wide variety of communication paths. The energy grid is relying upon distributed energy devices connected at the edge of the internet. Consider the scenario where each edge device is customer-owned distributed energy resource (DER) that is connected via a trustworthy link to a grid service provider. Each DER keeps a local simple trust record of interactions. Information protection is provided by internet https standards, however, trust must be evaluated throughout operation. This paper presents a model for representing and evaluating trust in general and applied to the energy grid as a key example. Actors on the edge may interact with each other as well as with a central datacenter.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Secure Enclaves: An Isolation-centric Approach for Creating Secure High Performance Computing Environments

High performance computing environments are often used for a wide variety of workloads ranging from simulation, data transformation and analysis, and complex workflows to name just a few. These systems may process data at various security levels but in so doing are often enclaved at the highest security posture. This approach places significant restrictions on the users of the system even when processing data at a lower security level and exposes data at higher levels of confidentiality to a much broader population than otherwise necessary. The traditional approach of isolation, while effective in establishing security enclaves poses significant challenges for the use of shared infrastructure in HPC environments. This report details current state-of-the-art in virtualization, reconfigurable network enclaving via Software Defined Networking (SDN), and storage architectures and bridging techniques for creating secure enclaves in HPC environments.

97 MATHEMATICS AND COMPUTING↗

Emerging Technologies for Privacy Preservation in Energy Systems

This study explores the intersection of digitalization and privacy within the energy sector, focusing on the emerging challenges and opportunities presented by integrating Distributed Energy Resources (DERs) and advanced metering infrastructure. The need for robust digital privacy measures has become crucial as the energy industry evolves towards a more decentralized, digitalized, and decarbonized future. This study delves into four cutting-edge privacy-preserving technologies—Homomorphic Encryption (HE), Secure Multiparty Computation (SMPC), Differential Privacy (DP), and Federated Learning (FL)—each offering unique solutions to safeguard consumer data by increasing digital connectivity and data exchange. Through a detailed examination of these methods, the study explains how each technology operates, its applications within the energy sector, and the specific privacy challenges it addresses. Homomorphic Encryption allows for secure computations on encrypted data, enabling data analysis without compromising privacy. Secure Multiparty Computation enables collaborative data analysis across different entities while protecting the confidentiality of the inputs. Differential Privacy introduces randomness into the assembled data set, preventing the identification of individual records in statistical databases. Lastly, Federated Learning offers a paradigm shift in data analysis, where machine learning models are trained at the edge, minimizing the centralization of sensitive data. The research underscores the significance of implementing these privacy-enhancing technologies to comply with strict data protection regulations, foster consumer trust, and enhance the security of the energy infrastructure. By providing a comprehensive overview of these methodologies and their practical implications for the energy sector, this study aims to contribute to the ongoing discourse on digital privacy, offering insights into how the energy industry can navigate the complexities of data privacy in the digital age.

Cali, Umit↗

Considerations for using Privacy Preserving Machine Learning Techniques for Safeguards

In international nuclear safeguards, the International Atomic Energy Agency (IAEA) is tasked with inspecting and verifying nuclear facilities and their activities. Data analytics and machine learning to support inspections require large amounts of data that nuclear facility operators may consider proprietary or sensitive, so the IAEA may not have full access. Allowing computation over private data without compromising its security therefore has value for safeguards inspections and analysis. Privacy-preserving machine learning (PPML) consists of security-focused techniques that allow data analytics and machine learning algorithms to run on sensitive data without revealing it. This includes ideas like homomorphic encryption (HE), secure multiparty computation (SMPC), and secure enclaves. HE allows algorithms and mathematical operations to be conducted directly on the encrypted data instead of first decrypting it. With SMPC, multiple entities collaboratively compute over distributed data such that no party is able to directly view any others’ original data. Secure enclaves allow computation to take place in a separate and heavily blocked-off section of a CPU. Techniques like these allow for several potential use cases in which the security of data is essential. With SMPC, machine learning models can be trained over the input data from multiple entities, resulting in a model that all users can benefit from without leaking the input data from any particular entity. With SMPC or a zero-knowledge proof (ZKP), an algorithm returning some single answer or truth value can be run on someone else’s data without ever needing to see that data, potentially allowing for verification or proof of some underlying question. HE can allow for outsourcing computation on data to a hostile or untrusted environment. Although most of the research in this field resides within the health and financial domains, tools from PPML may have similar applications in nuclear safeguards. Allowing the IAEA to compute over proprietary information, such as process models and raw sensor data using PPML techniques, provides the baseline for running complex analytics without needing direct unencrypted access to the underlying data, maintaining its privacy. Important limitations to consider for these techniques include the efficiency and level of security required. The security of HE and SMPC come at the cost of speed—the significant amount of overhead means that algorithms implemented in these protocols and encryption schemes are slower than when run on plaintext. Additionally, several important parameters determine what techniques or protocols are used based on the security requirements. SMPC protocols may need to be selected for resistance against a party that attempts to deviate from the protocol to distort the result or gain access to additional information, and a protocol secure against these attacks may further increase the overhead of the algorithm.

97 MATHEMATICS AND COMPUTING↗

Enabling Computation on Sensitive Data in International Safeguards with Privacy-Preserving Encryption Techniques

Privacy-preserving machine learning is a field of study that explores how to protect and preserve the privacy of sensitive data while allowing the data to be used by machine learning algorithms. This field has had substantial industry investment due to heightened concerns about privacy in the technology industry, with a focus in two broad application areas: financial services and healthcare. Numerous privacy-preserving methods have also been proposed for international safeguards, but they have been difficult to enact because the data they require is con- sidered sensitive or proprietary by the nuclear facility operator. This work examines how current privacy-preserving approaches might be used to enable the International Atomic Energy Agency (IAEA) to use that data to contribute to a safeguards conclusion about a state while giving nuclear operators confidence that their sensitive data is adequately protected. This paper begins by exploring several broad categories of privacy-preserving techniques including homomorphic encryption, secure multiparty computation, secure enclaves, and zero-knowledge proofs. Then we discuss some of the security considerations related to using these methods, potential use cases, and a conceptual system design for applying privacy-preserving methods in international safeguards.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗