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Reimagining Codesign for Advanced Scientific Computing: Report for the ASCR Workshop on Reimagining Codesign

In March 2021, the U.S. Department of Energy’s Advanced Scientific Computing Research program convened the Workshop on Reimagining Codesign. The workshop, also known as ReCoDe, was organized around discussions on eight topic areas: (1) codesign for traditional high-performance computing workloads; (2) codesign of memory/storage systems; (3) codesign of machine learning, neuromorphic, quantum, and other non-von Neumann accelerators; (4) codesign for edge computing and processing at experimental instruments; (5) codesign for security and privacy; (6) hardware design tools and open-source hardware for high-productivity codesign; (7) tools, software stack, and programming languages for high-productivity codesign; and (8) quantitative tools and data collection for modeling and simulation for codesign. The panels identified four Priority Research Directions from these deliberations: (1) breakthrough computing capabilities with targeted heterogeneity and rapid design; (2) software and applications that embrace radical architecture diversity; (3) engineered security and integrity, from transistors to applications; and (4) design with data-rich processes.

97 MATHEMATICS AND COMPUTING↗

Securing the Nation's Energy Future

Energy security is national security. Energy keeps us connected, powers and fuels our homes and businesses, enables our national defense, and keeps our economy strong. With increasingly complex and fast-evolving threats to the energy sector, securing the nation's long-term access to affordable, reliable, and abundant energy is vital for our American way of life.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Using advanced data structures to enable responsive security monitoring

Write-optimized data structures (WODS), offer the potential to keep up with cyberstream event rates and give sub-second query response for key items like IP addresses. These data structures organize logs as the events are observed. To work in a real-world environment and not fill up the disk, WODS must efficiently expire older events. As the basis for our research into organizing security monitoring data, we implemented a tool, called Diventi, to index IP addresses in connection logs using RocksDB (a write-optimized LSM tree). In this work, we extended Diventi to automatically expire data as part of the data structures’ normal operations. We guarantee that Diventi always tracks the N most recent events and tracks no more than N + k events for a parameter k < N, while ensuring the index is opportunistically pruned. To test Diventi at scale in a controlled environment, we used anonymized traces of IP communications collected at SuperComputing 2019. We synthetically extended the 2.4 billion connection events to 100 billion events. We tested Diventi vs. Elasticsearch, a common log indexing tool. In our test environment, Elasticsearch saw an ingestion rate of at best 37,000 events/s while Diventi sustained ingestion rates greater than 171,000 events/s. Our query response times were as much as 100 times faster, typically answering queries in under 80 ms. Furthermore, we saw no noticeable degradation in Diventi from expiration. We have deployed Diventi for many months where it has performed well and supported new security analysis capabilities.

97 MATHEMATICS AND COMPUTING↗

Advancing Cybersecurity Through Technical Assistance

Electric grids around the world are undergoing rapid structural and operational change, making it more important than ever to understand evolving risks and improve grid resilience and security against natural and human disruptions. Through tailored technical assistance, NREL is working with partners to support the secure and resilient deployment of energy systems and address grid integration challenges.

97 MATHEMATICS AND COMPUTING↗

2020 Exascale Computing Project Annual Meeting (Executive Summary Report)

The Exascale Computing Project (ECP) delivers specific applications, software products, and outcomes on DOE computing facilities. Integration across these elements for specific hardware technologies for exascale system instantiations is fundamental to ECP success. The outcome of the ECP is the delivery of a capable exascale computing ecosystem to provide breakthrough solutions addressing our most critical challenges in scientific discovery, energy assurance, economic competitiveness, and national security. This outcome is not a matter of ensuring more powerful computing systems. The ECP is designed to create more valuable and rapid insights from a wide variety of applications (“capable”), which requires a much higher level of inherent efficacy in all methods, software tools, and ECP-enabled computing technologies to be acquired by DOE laboratories (“ecosystem”). The ECP annual meeting provides a unique opportunity for the core technical expertise in the United States focused on achieving this next plateau of computational science and computing performance to engage in direct discussions on project execution. Face-to-face gatherings in technical communities like this are common and needed for the exchange of scientific ideas and technical performance. The ECP annual meeting stands apart from other technical conferences and meetings in the computing community as it is uniquely and solely focused on the execution of the ECP and the integration of technical activities leading to the creation of the exascale computing ecosystem for the future. The direct interaction of key critical technical staff, who are leaders in their respective fields, and the resulting give-and-take between software, applications, and hardware and the technical co-design therein, is unique and essential to the effective execution of the ECP. The first annual meeting was held in Knoxville, Tennessee, January 31 – February 2, 2017 and brought together, for the first time, a diverse collection of researchers from 16 DOE national laboratories as well as university computer and computational science researchers to discuss shared problems and joint solutions for the development of a capable exascale computing ecosystem. These interactions resulted in focused technical plans and an energized community centered on advances for ECP. The second annual meeting was held in Knoxville, Tennessee, February 5–9, 2018. It included 643 individual thought leaders and performers in application development, software research and deployment, and hardware research and integrators, all of whom are part of the multifaceted, billion dollar HPC community. This meeting provided a platform to discuss and disseminate numerous examples where researchers with common goals and synergistic solutions came together for the first time to deliver tangible results. Additionally, at the 2018 meeting, ECP researchers had the opportunity to digest all US HPC vendor R&D product roadmaps pointing to exascale – not only to learn how their research can play a role, but, more importantly, to influence those roadmaps to ensure successful delivery on DOE applications that will contribute to (if not solve) problems of national interest in national security, science, energy, and health, as well as growing security threats. The third annual meeting was held in Houston, Texas, January 14–17, 2019. With a 19% increase in the number of registrations (768 people), and the change in location, the third annual meeting was considered the most impactful of the three at the time. The new website provided a better platform for the dissemination of the content, the new venue as a meeting hotel instead of a conference center facilitated interactions and discussions after event hours, and the addition of an award-winning mobile event conference app (Whova) transformed dramatically the attendee experience at the event. This fourth annual meeting was held in Houston, Texas, February 3-7, 2020. This meeting had an increase in the number of attendees for a total of 824 people registered (782 attendees) and included numerous enhancements based on feedback and lessons learned from previous meetings, some of which are listed here: Improved quality of the sessions, their material and the whole program.; Had more industry participation and addition of external collaborators from overseas.; Published the full agenda earlier to better accommodate attendance and travel plans based on schedule.; Centralized all sessions in one venue.; Provided additional hotels and room blocks for the attendees.; Improved communication with the audience (links, material, directions, notifications, etc.) to go paperless.; Enhanced side meeting scheduling, management and user experience.; Made available additional space and tables for impromptu meetings and side discussions.; Improved IT and A/V solutions for speakers. In addition, our final survey captured the following points as opportunities for improvement in future meetings: consider a different meeting location that is more pedestrian friendly, reduce talks during working meals to allow more collaboration and informal time, adapt the agenda to acknowledge attendees from different timezones, consider recording some of the tutorials and/or sessions to share broadly with the HPC community, have a larger poster room, provide additional power strips, and improve the WiFi.

97 MATHEMATICS AND COMPUTING↗

Navigation Ground Data System Engineering for the Cassini/Huygens Mission

The launch of the Cassini/Huygens mission on October 15, 1997, began a seven year journey across the solar system that culminated in the entry of the spacecraft into Saturnian orbit on June 30, 2004. Cassini/Huygens Spacecraft Navigation is the result of a complex interplay between several teams within the Cassini Project, performed on the Ground Data System. The work of Spacecraft Navigation involves rigorous requirements for accuracy and completeness carried out often under uncompromising critical time pressures. To support the Navigation function, a fault-tolerant, high-reliability/high-availability computational environment was necessary to support data processing. Configuration Management (CM) was integrated with fault tolerant design and security engineering, according to the cornerstone principles of Confidentiality, Integrity, and Availability. Integrated with this approach are security benchmarks and validation to meet strict confidence levels. In addition, similar approaches to CM were applied in consideration of the staffing and training of the system administration team supporting this effort. As a result, the current configuration of this computational environment incorporates a secure, modular system, that provides for almost no downtime during tour operations.

Beswick, R. M.↗

Position Papers for the ASCR Workshop on Cybersecurity and Privacy for Scientific Computing Ecosystems

At the request of the Department of Energy's (DOE) Office of Advanced Scientific Computing Research (ASCR), this program committee has been tasked with organizing a workshop to identify basic research needs in cybersecurity and privacy to better support DOE's science and energy mission. As part of the process, the program committee is soliciting community input in the form of position papers to help identify significant use cases, facility issues, and other barriers to enabling verifiably trustworthy computational science while preserving data confidentiality as appropriate for scientific workflows of interest to DOE. The program committee will review these position papers and based on the fit of their area of expertise and interest, selected contributors will have the opportunity to participate in the workshop currently planned as a virtual event November 3-5th, 2021. The thrust areas that will be explored by this workshop are the following: (1) Algorithms for secure, scalable, privacy-enhancing technologies and frameworks, including: Federated AI/ML, Differential privacy, Randomized algorithms, Adversarial modeling & simulation, Graph algorithms, and Formal methods; (2) Platforms to support the entire scientific-computing ecosystem, including edge computing for large-scale experiments, focusing on heterogeneous systems and distributed systems, including: Heterogeneous computing systems, Distributed computing systems, and Secure data architectures; and (3) Data workflows to allow agile use of data while preserving integrity and privacy, making the important properties verifiable either at runtime or post-computation, including: Integrity and provenance and Data management infrastructure. Topics that are out-of-scope for the workshop include discussing specific proposed solutions or areas that are clearly out of DOE's fundamental and applied-sciences mission scope, e.g., cryptography, enterprise security, and general-operations technology.

97 MATHEMATICS AND COMPUTING↗

A Review of Software for Designing and Operating Quantum Networks

Quantum networks development is crucial to realizing a production-grade network that can support distributed sensing, secure communication, and utility-scale quantum computation. However, the transition from laboratory demonstration to deployable networks requires software implementations of architectures and protocols tailored to the unique constraints of quantum systems. This paper reviews the current state of software implementations for quantum networks, organized around a three-plane abstraction of infrastructure, logical, and control/service planes. We cover software for both designing quantum network protocols (e.g., SeQUeNCe, QuISP, and NetSquid) and operating testbeds, with a focus on essential control/service plane functions such as entanglement, topology, and resource management, in a proposed taxonomy. Our review highlights a persistent gap between theoretical architecture and protocol proposals and their realization in simulators or testbeds, particularly in dynamic topology and network management. We conclude by outlining open challenges and proposing a roadmap for developing scalable software architectures to enable hybrid, large-scale quantum networks.

Network Design↗

Distributed ADMM Using Private Blockchain for Power Flow Optimization in Distribution Network With Coupled and Mixed-Integer Constraints

The optimization problem for scheduling distributed energy resources (DERs) and battery energy storage systems (BESS) integrated with the power grid is important to minimize energy consumption from conventional sources in response to demand. Conventionally this optimization problem is solved in a centralized manner, limiting the size of the problem that can be solved and creating a high communication overhead because all the data is transferred to the central controller. These limitations are addressed by the proposed distributed consensus-based alternating direction method of multiplier (DC-ADMM) optimization algorithm, which decomposes the optimization problem into subproblems with private cost function and constraints. The distribution feeder is partitioned into low coupling subnetworks/regions, which solves the private subproblem locally and exchanges information with the neighboring regions to reach consensus. The relaxation strategy is employed for mixed-integer and coupled constraints introduced in the optimal power flow (OPF) problem by stationary and transportable BESS because DC-ADMM convergence is only guaranteed for strict convex problems. The information exchange and synchronization between subnetworks/regions are vital for distributed optimization. In this work, both of these aspects are addressed by the blockchain. The smart contract deployed on the blockchain network acts as a mediator for secure data exchange and synchronization in distributed computation. The blockchain-based distributed optimization problem’s effectiveness is tested for a 0.5-MW laboratory microgrid for one hour ahead and day-ahead for the IEEE 123-bus and EPRI J1 test feeders, and results are compared with a centralized solution.

25 ENERGY STORAGE↗

Genesis Data Card Schema, Template and Supporting Tools

Genesis Data Cards provide a standardized template and schema for documenting scientific datasets in support of discovery, access, interoperability, reusability, governed use, and AI usability. This release of the Genesis Data Card repository includes a versioned Markdown template, a LinkML schema with generated Pydantic and JSON artifacts, schema documentation, and example completed data cards. Validation tooling is provided to ensure that completed data cards conform to the schema prior to submission. Accompanying documentation for the structured metadata is provided as a Field Reference Guide. The schema and accompanying template provided in this repository address the call for actionable context that enables humans and AI systems to find, access, interpret, cite, and reuse data, and, when appropriate, integrate it into AI and machine learning workflows. The data card is intended to serve as a common metadata artifact intended to support standardized, cross-program dataset documentation across Department of Energy (DOE)-aligned efforts, including but not limited to Genesis Mission-related implementations, the Office of Science, National Nuclear Security Administration (NNSA), and Advanced Simulation and Computing (ASC) data governance and stewardship initiatives.

data card↗

Carnac for Emulytics (HPC Annual Report V.1.0)

Carnac, located at Sandia's California site, is an institutional cluster for Emulytics that provides security researchers with resources to model enterprise computer networks and evaluate how resilient they are from attacks. While multiple Emulytics cluster computers have been built at Sandia, Carnac is the first system that was developed as an institutional resource that can be shared among different groups with disparate requirements.

97 MATHEMATICS AND COMPUTING↗

UT Austin's 2022 Sandia Day (Summary Report)

On March 30th and 31st, 2022, the University of Texas at Austin (UT) Office of the Vice President for Research (OVPR) hosted Sandia National Laboratories (Sandia) for “Sandia Day at UT Austin” to understand the status of the strategic partnership and explore opportunities for partnership growth. The event brought together more than 115 UT and Sandia participants including executive leadership, researchers, faculty, staff, and students. Sandia Day primarily consisted of a half-day leadership meeting, a research poster session and networking event, and three break-out sessions focused on strategic priority areas: Microelectronics, Energy and Climate Security, and High-Performance and Edge Computing. Appendix A contains the full Sandia Day agenda. Additional meetings and workshops (adjunct meetings) were held in conjunction with Sandia Day to maximize partnership exploration. Adjunct meetings were Hypersonics, Decarbonization, Disinformation, and Battery Workshops. A summary of Sandia Day events, sessions, and meetings follows.

42 ENGINEERING↗

Discrete mathematics, formal methods, the Z schema and the software life cycle

The proper role and scope for the use of discrete mathematics and formal methods in support of engineering the security and integrity of components within deployed computer systems are discussed. It is proposed that the Z schema can be used as the specification language to capture the precise definition of system and component interfaces. This can be accomplished with an object oriented development paradigm.

Bown, Rodney L.↗

Countermeasure Evaluation and Validation Project (CEVP) Database Requirement Documentation

The initial focus of the project by the JSC laboratories will be to develop, test and implement a standardized complement of integrated physiological test (Integrated Testing Regimen, ITR) that will examine both system and intersystem function, and will be used to validate and certify candidate countermeasures. The ITR will consist of medical requirements (MRs) and non-MR core ITR tests, and countermeasure-specific testing. Non-MR and countermeasure-specific test data will be archived in a database specific to the CEVP. Development of a CEVP Database will be critical to documenting the progress of candidate countermeasures. The goal of this work is a fully functional software system that will integrate computer-based data collection and storage with secure, efficient, and practical distribution of that data over the Internet. This system will provide the foundation of a new level of interagency and international cooperation for scientific experimentation and research, providing intramural, international, and extramural collaboration through management and distribution of the CEVP data. The research performed this summer includes the first phase of the project. The first phase of the project is a requirements analysis. This analysis will identify the expected behavior of the system under normal conditions and abnormal conditions; that could affect the system's ability to produce this behavior; and the internal features in the system needed to reduce the risk of unexpected or unwanted behaviors. The second phase of this project have also performed in this summer. The second phase of project is the design of data entry screen and data retrieval screen for a working model of the Ground Data Database. The final report provided the requirements for the CEVP system in a variety of ways, so that both the development team and JSC technical management have a thorough understanding of how the system is expected to behave.

Shin, Sung Y.↗

System and method for reasoning about the optimality of a configuration parameter of a distributed system

Embodiments provide a system and method for reasoning about the optimality of a configuration parameter of a distributed system. During operation, the system obtains a multi-layer graph for a system with a plurality of components, wherein the multi-layer graph comprises a configuration subgraph, a vulnerability subgraph, and a dependency subgraph. The system determines, based on the multi-layer graph, constraint relationships associated with configuration parameters for the components, wherein the constraint relationships include security constraints and functionality constraints. The system computes an unsatisfiable core which comprises a set of mutually incompatible constraints. The system resolves, based on a strategy and over multiple iterations, the unsatisfiable core by analyzing one pair of mutually incompatible constraints per a respective iteration, to obtain a new unsatisfiable core which comprises a smaller number of mutually incompatible constraints than the computed unsatisfiable core or a previously computed unsatisfiable core from a most recent iteration.

Soroush, Hamed↗

Exploring the Adoption Challenges of Post-Quantum Cryptography in EV Charging Infrastructure

The rapid evolution of electric vehicle (EV) technology and the corresponding growth of the Electric Vehicle Charging Infrastructure (EVCI) brings to light significant cybersecurity concerns, notably in the context of emerging post-quantum computing capabilities. This report, prepared by Pacific Northwest National Laboratory (PNNL) under the U.S. Department of Energy contract, delves into the challenges associated with integrating Post-Quantum Cryptography (PQC) into EVCI to safeguard against potential quantum computing threats. Post-quantum computers will eventually be able to invalidate technologies secured through public key cryptography. As part of this effort, the primary gaps and challenges in the EVCI were investigated with a focus on comparing traditional algorithms against PQC algorithms. One of the notable findings was that the P-521 algorithm was frequently surpassed in performance by PQC algorithms. This document provides a thorough examination of the hurdles the industry can expect when transitioning to PQC within the EVCI, such as interoperability concerns, the computational and memory demands of PQC algorithms, and the organizational readiness for such a transition. It emphasizes the necessity of a forward-thinking approach to cybersecurity, advocating for early and strategic engagement among EVCI stakeholders to ensure a seamless and cost-effective migration to quantum-resistant cryptographic standards. Through this report, the authors aim to catalyze awareness and action among policymakers, industry leaders, and cybersecurity professionals towards fortifying the EVCI against emerging quantum threats, thereby securing the infrastructure essential for the future of electric mobility.

33 ADVANCED PROPULSION SYSTEMS↗