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At least 577 records · Page 32

Energy-efficient scientific computing using chemical reservoirs

The rapid growth of computing demands driven by scientific computing, data analytics, and artificial intelligence (AI) advancements has exposed the limitations of traditional digital processing systems. These systems are nearing physical energy barriers, making significant gains in energy efficiency increasingly unattainable. As we advance toward post-exascale computing, disruptive approaches are critical to overcoming these limitations. Among emerging analog solutions, biochemical computing offers a transformative path for achieving orders-of-magnitude improvements in energy efficiency. By leveraging the natural optimization capabilities of chemical reaction networks (CRNs), biochemical systems have the potential to meet high-performance computing needs through natural scalability. However, numerous challenges remain, including theoretical limitations in mapping computational problems to CRNs and practical barriers in implementing biochemical computing devices. In this paper, we present a framework for chemical computation using biochemical systems and introduce key components of our approach for energy-efficient scientific computing. We showcase the feasibility of this framework by solving a system of ordinary differential equations by emulating a chemical reservoir device, demonstrating its potential for addressing modern computing challenges. This work lays a foundational step toward harnessing the computational power of chemistry to design energy-efficient, scalable, high-performance next-generation computing systems.

Johnson, Connah G. M. [Pacific Northwest National ↗

Artificial intelligence for multi-mission planetary operations

A brief introduction is given to an automated system called the Spacecraft Health Automated Reasoning Prototype (SHARP). SHARP is designed to demonstrate automated health and status analysis for multi-mission spacecraft and ground data systems operations. The SHARP system combines conventional computer science methodologies with artificial intelligence techniques to produce an effective method for detecting and analyzing potential spacecraft and ground systems problems. The system performs real-time analysis of spacecraft and other related telemetry, and is also capable of examining data in historical context. Telecommunications link analysis of the Voyager II spacecraft is the initial focus for evaluation of the prototype in a real-time operations setting during the Voyager spacecraft encounter with Neptune in August, 1989. The preliminary results of the SHARP project and plans for future application of the technology are discussed.

Atkinson, David J.↗

V-Man Generation for 3-D Real Time Animation

The V-Man project has developed an intuitive authoring and intelligent system to create, animate, control and interact in real-time with a new generation of 3D virtual characters: The V-Men. It combines several innovative algorithms coming from Virtual Reality, Physical Simulation, Computer Vision, Robotics and Artificial Intelligence. Given a high-level task like "walk to that spot" or "get that object", a V-Man generates the complete animation required to accomplish the task. V-Men synthesise motion at runtime according to their environment, their task and their physical parameters, drawing upon its unique set of skills manufactured during the character creation. The key to the system is the automated creation of realistic V-Men, not requiring the expertise of an animator. It is based on real human data captured by 3D static and dynamic body scanners, which is then processed to generate firstly animatable body meshes, secondly 3D garments and finally skinned body meshes.

Nebel, Jean-Christophe↗

Artificial intelligence-driven approaches for materials design and discovery

Materials design is an important component of modern science and technology, yet traditional approaches rely heavily on trial and error and can be inefficient. Computational techniques, enhanced by modern artificial intelligence, have reshaped the landscape of designing new materials. Among these approaches, inverse design has shown great promise in designing materials that meet specific property requirements. Here, in this Review, we present key computational advances in materials design over the past few decades. We follow the evolution of relevant materials design techniques, from high-throughput forward machine learning methods and evolutionary algorithms, to advanced artificial intelligence strategies such as reinforcement learning and deep generative models. We highlight the paradigm shift from conventional screening approaches to inverse generation driven by deep generative models. Finally, we discuss current challenges and future perspectives of materials inverse design. This Review may serve as a brief guide to the approaches, progress and outlook of designing future functional materials with technological relevance.

computational methods↗

Neuromorphic Photonics Based on Phase Change Materials

Neuromorphic photonics devices based on phase change materials (PCMs) and silicon photonics technology have emerged as promising solutions for addressing the limitations of traditional spiking neural networks in terms of scalability, response delay, and energy consumption. In this review, we provide a comprehensive analysis of various PCMs used in neuromorphic devices, comparing their optical properties and discussing their applications. We explore materials such as GST (Ge 2 Sb 2 Te 5 ), GeTe-Sb 2 Te 3 , GSST (Ge 2 Sb 2 Se 4 Te 1 ), Sb 2 S 3 /Sb 2 Se 3 , Sc 0.2 Sb 2 Te 3 (SST), and In 2 Se 3 , highlighting their advantages and challenges in terms of erasure power consumption, response rate, material lifetime, and on-chip insertion loss. By investigating the integration of different PCMs with silicon-based optoelectronics, this review aims to identify potential breakthroughs in computational performance and scalability of photonic spiking neural networks. Further research and development are essential to optimize these materials and overcome their limitations, paving the way for more efficient and high-performance photonic neuromorphic devices in artificial intelligence and high-performance computing applications.

36 MATERIALS SCIENCE↗

Expert and operator perspectives on barriers to energy efficiency in data centers

Abstract It was last estimated in 2016 that data centers (DCs) comprise approximately 2% of total US electricity consumption. However, this estimate is currently being updated to account for the massive increase in computing needs due to streaming, cryptocurrency, and artificial intelligence (AI). To prevent energy consumption that tracks with increasing computing needs, it is imperative we identify energy efficiency strategies and investments beyond the low-hanging fruit solutions. In a two-phased research approach, we ask: What non-technical barriers still impede energy efficiency (EE) practices and investments in the data center sector, and what can be done to overcome these barriers? In particular, we are focused on social and organizational barriers to EE. In Phase I, we performed a literature review and found that technical solutions are abundant in the literature, but fail to address the top-down cultural shifts that need to take place in order to adapt new energy efficiency strategies. In Phase II, reported here, we interviewed 16 data center operators/experts to ground-truth our literature findings. Our interview protocols focus on three aspects of DC decision-making: procurement practices, metrics and monitoring, and perceived barriers to energy efficiency. We find that vendors are the key drivers of procurement decisions, advanced efficiency metrics are facility-specific, and there is convergence in the design of advanced facilities due to the heat density of parallelized infrastructure. Our ultimate goals for our research are to design DC decarbonization policies that target organizational structure, empower individual staff, and foster a supportive external market.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Automating software design system DESTA

'DESTA' is the acronym for the Dialogue Evolutionary Synthesizer of Turnkey Algorithms by means of a natural language (Russian or English) functional specification of algorithms or software being developed. DESTA represents the computer-aided and/or automatic artificial intelligence 'forgiving' system which provides users with software tools support for algorithm and/or structured program development. The DESTA system is intended to provide support for the higher levels and earlier stages of engineering design of software in contrast to conventional Computer Aided Design (CAD) systems which provide low level tools for use at a stage when the major planning and structuring decisions have already been taken. DESTA is a knowledge-intensive system. The main features of the knowledge are procedures, functions, modules, operating system commands, batch files, their natural language specifications, and their interlinks. The specific domain for the DESTA system is a high level programming language like Turbo Pascal 6.0. The DESTA system is operational and runs on an IBM PC computer.

Lovitsky, Vladimir A.↗

Computational tools and data integration to accelerate vaccine development: challenges, opportunities, and future directions

The development of effective vaccines is crucial for combating current and emerging pathogens. Despite significant advances in the field of vaccine development there remain numerous challenges including the lack of standardized data reporting and curation practices, making it difficult to determine correlates of protection from experimental and clinical studies. Significant gaps in data and knowledge integration can hinder vaccine development which relies on a comprehensive understanding of the interplay between pathogens and the host immune system. In this review, we explore the current landscape of vaccine development, highlighting the computational challenges, limitations, and opportunities associated with integrating diverse data types for leveraging artificial intelligence (AI) and machine learning (ML) techniques in vaccine design. We discuss the role of natural language processing, semantic integration, and causal inference in extracting valuable insights from published literature and unstructured data sources, as well as the computational modeling of immune responses. Furthermore, we highlight specific challenges associated with uncertainty quantification in vaccine development and emphasize the importance of establishing standardized data formats and ontologies to facilitate the integration and analysis of heterogeneous data. Through data harmonization and integration, the development of safe and effective vaccines can be accelerated to improve public health outcomes. Looking to the future, we highlight the need for collaborative efforts among researchers, data scientists, and public health experts to realize the full potential of AI-assisted vaccine design and streamline the vaccine development process.

60 APPLIED LIFE SCIENCES↗

Ontologies for Intelligent Data Science

As anyone even vaguely aware of current technology can tell you, machine learning (ML) and artificial intelligence (AI) have made exceptional breakthroughs in recent years. Generative artificial intelligence (GAI) emerged circa 2022 dominated by Large Language Models (LLMs) and generative tools for images emerged at about the same time.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Intrinsically stretchable neuromorphic devices for on-body processing of health data with artificial intelligence

For leveraging wearable technologies to advance precision medicine, personalized and learning-based analysis of continuously acquired health data is indispensable, for which neuromorphic computing could provide the most efficient implementation of artificial intelligence (AI) data processing. For realizing on-body neuromorphic computing, skin-like stretchability is required, but yet to be combined with the suite of desired neuromorphic metrics, including linear, symmetric weight update, and sufficient state retention, for achieving high computing efficiency. Here, we report an intrinsically stretchable neuromorphic device based on an electrochemical transistor, which provides a large number (>800) of states, linear/symmetric weight update, excellent switching endurance (>100 million), good state retention (>10 4 s), together with high stretchability of 100% strain. Further integration into a prototype array successfully realized the implementation of vector-matrix multiplication even at 100% strain. Finally, we demonstrate the feasibility of implementing AI-based classification of health signals (as exemplified by electrocardiograms) with a high accuracy that is minimally influenced by the stretched state of the neuromorphic hardware. Finally, this work breaks the ground for combining AI data analysis into skin-like wearable electronics for achieving human-integrated/mimetic intelligent systems.

60 APPLIED LIFE SCIENCES↗

Operator modeling in commerical aviation: Cognitive models, intelligent displays, and pilot's assistants

One of the goals of the National Aviation Safety/Automation program is to address the issue of human-centered automation in the cockpit. Human-centered automation is automation that, in the cockpit, enhances or assists the crew rather than replacing them. The Georgia Tech research program focused on this general theme, with emphasis on designing a computer-based pilot's assistant, intelligent (i.e, context-sensitive) displays, and an intelligent tutoring system for understanding and operating the autoflight system. In particular, the aids and displays were designed to enhance the crew's situational awareness of the current state of the automated flight systems and to assist the crew's situational awareness of the current state of the automated flight systems and to assist the crew in coordinating the autoflight system resources. The activities of this grant included: (1) an OFMspert to understand pilot navigation activities in a 727 class aircraft; (2) an extension of OFMspert to understand mode control in a glass cockpit, Georgia Tech Crew Activity Tracking System (GT-CATS); (3) the design of a training system to teach pilots about the vertical navigation portion of the flight management system -VNAV Tutor; and (4) a proof-of-concept display, using existing display technology, to facilitate mode awareness, particularly in situations in which controlled flight into terrain (CFIT) is a potential.

Govindaraj, T.↗

Space Communications Artificial Intelligence for Link Evaluation Terminal (SCAILET)

A software application to assis end-users of the Link Evaluation Terminal (LET) for satellite communication is being developed. This software application incorporates artificial intelligence (AI) techniques and will be deployed as an interface to LET. The high burst rate (HBR) LET provides 30 GHz transmitting/20 GHz receiving, 220/110 Mbps capability for wideband communications technology experiments with the Advanced Communications Technology Satellite (ACTS). The HBR LET and ACTS are being developed at the NASA Lewis Research Center. The HBR LET can monitor and evaluate the integrity of the HBR communications uplink and downlink to the ACTS satellite. The uplink HBR transmission is performed by bursting the bit-pattern as a modulated signal to the satellite. By comparing the transmitted bit pattern with the received bit pattern, HBR LET can determine the bit error rate BER) under various atmospheric conditions. An algorithm for power augmentation is applied to enhance the system's BER performance at reduced signal strength caused by adverse conditions. Programming scripts, defined by the design engineer, set up the HBR LET terminal by programming subsystem devices through IEEE488 interfaces. However, the scripts are difficult to use, require a steep learning curve, are cryptic, and are hard to maintain. The combination of the learning curve and the complexities involved with editing the script files may discourage end-users from utilizing the full capabilities of the HBR LET system. An intelligent assistant component of SCAILET that addresses critical end-user needs in the programming of the HBR LET system as anticipated by its developers is described. A close look is taken at the various steps involved in writing ECM software for a C&P, computer and at how the intelligent assistant improves the HBR LET system and enhances the end-user's ability to perform the experiments.

Shahidi, Anoosh↗

Testing autonomous cyber-physical systems using fuzzing features from convolutional neural networks: work-in-progress

Autonomous cyber-physical systems rely on modern machine learning methods such as deep neural networks to control their interactions with the physical world. Testing of such intelligent cyber-physical systems is a challenge due to the huge state space associated with high-resolution visual sensory inputs. We demonstrate how fuzzing the input using patterns obtained from the convolutional filters of an unrelated convolutional neural network can be used to test computer vision algorithms implemented in intelligent cyber-physical systems. Our method discovers interesting counterexamples to a pedestrian detection algorithm implemented in the popular OpenCV library. Our approach also unearths counterexamples to the correct behavior of an autonomous car similar to NVIDIA's end-to-end self-driving deep neural net running on the Udacity open-source simulator.

Raj, Sunny↗

Toward a computational theory for motion understanding: The expert animators model

Artificial intelligence researchers claim to understand some aspect of human intelligence when their model is able to emulate it. In the context of computer graphics, the ability to go from motion representation to convincing animation should accordingly be treated not simply as a trick for computer graphics programmers but as important epistemological and methodological goal. In this paper we investigate a unifying model for animating a group of articulated bodies such as humans and robots in a three-dimensional environment. The proposed model is considered in the framework of knowledge representation and processing, with special reference to motion knowledge. The model is meant to help setting the basis for a computational theory for motion understanding applied to articulated bodies.

Mohamed, Ahmed S.↗

National Virtual Biotechnology Laboratory: Report on Rapid R&D Solutions to the COVID-19 Crisis

With funding from the CARES Act, the U.S Department of Energy (DOE) established the National Virtual Biotechnology Laboratory (NVBL) in March 2020 to address key challenges associated with the COVID-19 crisis. NVBL brought together the broad scientific and technical expertise and resources of DOE’s 17 national laboratories to help tackle medical supply short ages, discover potential drugs to fight the virus, develop and validate COVID-19 testing methods, model disease spread and impact across the nation, and understand virus transport in buildings and the environment. National laboratory resources leveraged for this effort include a suite of world-leading user facilities broadly available to the research community, such as light and neutron sources, nanoscale science research centers, sequencing and biocharacterization facilities, and high-performance computing facilities. Within months, NVBL teams produced innovations in materials and advanced manufacturing that mitigated shortages in test kits and personal protective equipment (PPE), creating nearly 1,000 new jobs. They used DOE’s high-performance computers and light and neutron sources to identify promising candidates for antibodies and antivirals that universities and drug companies are now evaluating. NVBL researchers also developed new diagnostic targets and sample collection approaches, and supported U.S. Food and Drug Administration (FDA), Centers for Disease Control and Prevention (CDC), and U.S. Department of Defense (DoD) efforts to establish national guidelines used in administering millions of tests. Researchers used artificial intelligence and high-performance computing to produce near-real-time data analysis to forecast disease transmission, stress on public health infrastructure, and economic impact, which supported decision-makers at the local, state, and national levels. NVBL teams also studied how to control indoor virus movement to minimize uptake and protect human health. NVBL’s accomplishments demonstrate not only the powerful resource represented by DOE’s national laboratories working together to meet national needs, but also the effectiveness of the integrated NVBL framework for rapidly responding to emergencies with research and development (R&D) solutions. As the fight against COVID continues, sustained efforts are needed to confront this pandemic as well as future threats. Examples include: 1) Establishing “supply chains on demand” to meet emergency production needs by leveraging the materials and manufacturing expertise of DOE national laboratories and developing advances in electronics, sensing, robotics, and automation capabilities; 2) Improving the speed and robustness of drug discovery by integrating experimental platforms with DOE’s computational and experimental user facilities, which provide unique resources to support the discovery of high-potential therapeutic agents; 3) Protecting public, environmental, and animal health by developing new testing protocols and instrumentation adaptable to diverse sample types (both physiological and environmental) to quickly detect a wide range of pathogens and monitor other biorisks; 4) Supporting near-real-time data needs of decision-makers at the local, regional, state, and national levels by advancing data curation, analysis, and modeling using artificial intelligence and new data science tools for managing and evaluating large diverse datasets; 5) Harnessing DOE’s expertise in environmental modeling to design rooms and air handling for offices, classrooms, restaurants, and other structures to minimize biorisk transmissions. Going forward, NVBL is poised to apply the unique capabilities and expertise of the national laboratory complex to future national and international emergencies, both natural and engineered. Through this framework, the Office of Science will continue to be an integral component of agency wide efforts to prepare for and respond to biorisks and other crises.

42 ENGINEERING↗

Using Digital Trace Data to Identify Regions and Cities

A greater understanding of human dynamics as they play out in both physical space and through inter-personal communication is vital for the design and development of intelligent and resilient cities. Physical context provides insight in to the space-time distribution of population and their activity patterns, while inter-personal communication can, for the first time, be measured at scale through virtual interactions. The confluence of these two enables spatial social network analysis in the built environment for edge computing, knowledge discovery, and artificial intelligence activities. In this work, we propose a novel method to discover such dynamics. We use a dataset of 72 million tweets to develop a spatially embedded network of communication, and then use community detection algorithms to explore regional and urban delineation in the United States. We find that the broad spatial delineation of communities and community sub-structure is consistent with major United States socio-cultural regions, states, and major metropolitan areas. We describe how these methods could be extended to generate a measure of socially cohesive regions that can be consistently applied anywhere there is a sufficiently rich data source. We hope the proposed methods will generate new perspectives on smart and resilient cities.

Brelsford, Christa↗

Secure API-Driven Research Automation to Accelerate Scientific Discovery

The Secure Scientific Service Mesh (S3M) provides API-driven infrastructure to accelerate scientific discovery through automated research workflows. By integrating near real-time streaming capabilities, intelligent workflow orchestration, and fine-grained authorization within a service mesh architecture, S3M enables secure and flexible programmatic access to high performance computing (HPC) resources. This framework allows intelligent agents and experimental facilities to dynamically provision resources and execute complex workflows, accelerating experimental lifecycles, and enabling AI-augmented autonomous science. S3M establishes a modern foundation for scientific computing infrastructure that significantly reduces traditional barriers between researchers, computational resources, and experimental facilities.

Skluzacek, Tyler [ORNL] (ORCID:0000000322424931)↗

SHARP: A multi-mission artificial intelligence system for spacecraft telemetry monitoring and diagnosis

The Spacecraft Health Automated Reasoning Prototype (SHARP) is a system designed to demonstrate automated health and status analysis for multi-mission spacecraft and ground data systems operations. Telecommunications link analysis of the Voyager 2 spacecraft is the initial focus for the SHARP system demonstration which will occur during Voyager's encounter with the planet Neptune in August, 1989, in parallel with real time Voyager operations. The SHARP system combines conventional computer science methodologies with artificial intelligence techniques to produce an effective method for detecting and analyzing potential spacecraft and ground systems problems. The system performs real time analysis of spacecraft and other related telemetry, and is also capable of examining data in historical context. A brief introduction is given to the spacecraft and ground systems monitoring process at the Jet Propulsion Laboratory. The current method of operation for monitoring the Voyager Telecommunications subsystem is described, and the difficulties associated with the existing technology are highlighted. The approach taken in the SHARP system to overcome the current limitations is also described, as well as both the conventional and artificial intelligence solutions developed in SHARP.

Lawson, Denise L.↗