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Accelerating computational fluid dynamics simulation of post-combustion carbon capture modeling with MeshGraphNets

Packed columns are commonly used in post-combustion processes to capture CO 2 emissions by providing enhanced contact area between a CO 2 -laden gas and CO 2 -absorbing solvent. To study and optimize solvent-based post-combustion carbon capture systems (CCSs), computational fluid dynamics (CFD) can be used to model the liquid–gas countercurrent flow hydrodynamics in these columns and derive key determinants of CO 2 -capture efficiency. However, the large design space of these systems hinders the application of CFD for design optimization due to its high computational cost. In contrast, data-driven modeling approaches can produce fast surrogates to study large-scale physics problems. We build our surrogates using MeshGraphNets (MGN), a graph neural network framework that efficiently learns and produces mesh-based simulations. We apply MGN to a random packed column modeled with over 160K graph nodes and a design space consisting of three key input parameters: solvent surface tension, inlet velocity, and contact angle. Our models can adapt to a wide range of these parameters and accurately predict the complex interactions within the system at rates over 1700 times faster than CFD, affirming its practicality in downstream design optimization tasks. This underscores the robustness and versatility of MGN in modeling complex fluid dynamics for large-scale CCS analyses.

97 MATHEMATICS AND COMPUTING

Knowledge gaps for neuromorphic ionic computing

BACKGROUND Neuromorphic computing, inspired by the human brain’s ability to process information efficiently, represents a transformative approach to computation. In this Review, we explore the emerging field of neuromorphic ionic computing, which leverages ionic conduction and coupling to mimic neural processes, and identify critical knowledge gaps that must be addressed to realize its full potential. A central theme of the discussion is energy efficiency, a challenge that is both a limitation and an opportunity for this technology. Although complementary metal-oxide semiconductor (CMOS)–based neuromorphic technologies have made strides in scaling to billions of neurons and are increasingly applied in artificial intelligence and numerical computing, they remain orders of magnitude behind the human brain in terms of connectivity and energy efficiency. Neuromorphic ionic computing promises to overcome these limitations by leveraging the distinct architectural and operational principles of the brain. Our brains achieve this energy efficiency by combining several key features: using the same network elements to store and process information; using an incredibly complex and massively interconnected three-dimensional (3D) network of locally active elements that enables sparsity, robustness in the presence of noise, adaptation, and life-long learning; computing at comparatively low voltage and frequency; and last, taking advantage of a plethora of ions and small molecules as information carriers. Here, we propose that ionic computing systems can take advantage of similar features to achieve substantial gains in energy efficiency. ADVANCES Since the first reports of neuromorphic ionic behavior in nanofluidic channels, we have witnessed an explosion of reports that used ionic devices to produce synaptomimetic behaviors. However, achieving the goals of ionic computing requires not only implementation of much more sophisticated device functionality but also overcoming fundamental barriers in materials science, device architecture, and system integration. Current ionic devices, even those incorporating state-of-the-art materials, still suffer from limited functionality and stability, which restrict their performance and increase energy demands. Developing new materials with enhanced ionic properties is essential to overcome these limitations. Similarly, the design of neuromorphic devices must evolve to leverage the particular advantages of ionic processes. Existing architectures often follow a single-information-carrier logic of conventional electronics or are constructed of mesoscale fluidics, failing to capitalize on the energy-efficient mechanisms inherent to ionic systems or implement the multiple-information-carrier paradigm. Current neuromorphic chips focus on large-scale networks of analog memory elements based on mechanisms such as charge trap (flash), filamentary, phase change, or spin, which are built on top of a network of artificial CMOS neurons. Although such prototype networks have achieved impressive performance, it is difficult to envision how they can implement the key features such as massive connectivity, sophisticated plasticity, adaptability, sparsity, and “multichromatic” computing. Although small-scale devices have demonstrated promising results, integrating them, maintaining energy efficiency, and implementing temperature control as systems grow in complexity and size to computationally relevant scale remain major hurdles. Furthermore, interfacing neuromorphic ionic devices with existing computing technologies presents technical and conceptual challenges that will require innovative approaches that combine insights from neuroscience, materials science, and engineering. OUTLOOK Despite these challenges, the potential impact of neuromorphic ionic computing is profound with potential applications ranging from artificial intelligence to robotics and beyond. We also argue that neuromorphic ionic computing systems should not, at least in the beginning, compete with CMOS technologies but rather should focus on applications that require extreme energy efficiency with chemical and/or biological compatibility, such as biomedical applications (for example, brain-computer interfaces), environmental monitoring, and agricultural and food applications. Ultimately, this Review highlights the crucial role of interdisciplinary collaboration in advancing the field. Neuromorphic ionic computing is not merely a technological innovation; it represents a substantial step toward sustainable computation, aligning with the growing demand for energy-conscious solutions in a world that is increasingly reliant on data and computation.

Neuromorphic

Report for the DOE Office of Science Workshop on Envisioning Frontiers in AI and Computing for Biological Research

Artificial intelligence (AI), machine learning (ML), and high-performance computing (HPC) are poised to transform biological research, spurring innovation in biotechnology and biosystems design. "is transformation will bring an explosion of new capabilities to control the expression of genomic information in living organisms and harness that information to invent new biobased technologies (Jinek et al. 2012; NASEM 2025).

59 BASIC BIOLOGICAL SCIENCES

A2SD: Accelerating Scientific Innovation Through Autonomous Discovery Systems

The 2025 Advancing Autonomous Scientific Discovery (A2SD) workshop convened researchers from academia, national laboratories, and industry to explore the transformative role of autonomy in scientific discovery. The workshop highlighted a convergence of artificial intelligence, robotics, and computational workflows into autonomous systems capable of accelerating the scientific process. Presentations and discussions spanned autonomous experimentation, intelligent workflow orchestration, digital twins, and agent-based systems for managing complex research ecosystems. Key challenges discussed included interoperability across heterogeneous infrastructures, near real-time data management under FAIR principles, reproducibility, and the integration of human oversight. The workshop also emphasized the need for modular software interfaces, federated learning models, and education initiatives to support a next-generation scientific workforce.

Taufer, Michela [University of Tennessee, Knoxvill

The enchanted loom

The evolution of intelligence began with the movement of Crossopterygian fish onto land. The eventual appearance of large dinosaurs eliminated all but the smallest of mammalian creatures, with the survivors forced to move only nocturnally, when enhanced olfactory and aural faculties were favored and involved a larger grey matter/body mass ratio than possessed by the dinosaurs. Additionally, the mammals made comparisons between the inputs of various senses, implying the presence of significant memory capacity and an ability to abstract survival information. More complex behavior occurred with the advent of tree dwellers (forward-looking eyes), hands, color vision, and the ability to grip and manipulate objects. An extra pound of brain evolved in the human skull in less than a million years. The neural processes that can lead to an action by a creature with a brain are mimicked by the basic AND and OR gates in computers, which are rapidly approaching the circuit density of the human brain. It is suggested that humans will eventually produce computers of higher intelligence than people possess, and computer spacecraft, alive in an electronic sense, will travel outward to explore the universe.

Jastrow, R.

Adapting Grids For Computing Two-Dimensional Flows

SAGE2D is two-dimensional implementation of Self Adaptive Grid Evolution computer program that intelligently redistributes initial grid points on basis of initial flow-field solution. Grids modified according to initial computed flows enabling recomputation at greater accuracy. Written in FORTRAN 77.

Davies, Carol B.

Quantum entropy and uncertainty for two-mode squeezed, coherent and intelligent spin states

We compute the quantum entropy for monomode and two-mode systems set in squeezed states. Thereafter, the quantum entropy is also calculated for angular momentum algebra when the system is either in a coherent or in an intelligent spin state. These values are compared with the corresponding values of the respective uncertainties. In general, quantum entropies and uncertainties have the same minimum and maximum points. However, for coherent and intelligent spin states, it is found that some minima for the quantum entropy turn out to be uncertainty maxima. We feel that the quantum entropy we use provides the right answer, since it is given in an essentially unique way.

Aragone, C.

ELIPS: Toward a Sensor Fusion Processor on a Chip

The paper presents the concept and initial tests from the hardware implementation of a low-power, high-speed reconfigurable sensor fusion processor. The Extended Logic Intelligent Processing System (ELIPS) processor is developed to seamlessly combine rule-based systems, fuzzy logic, and neural networks to achieve parallel fusion of sensor in compact low power VLSI. The first demonstration of the ELIPS concept targets interceptor functionality; other applications, mainly in robotics and autonomous systems are considered for the future. The main assumption behind ELIPS is that fuzzy, rule-based and neural forms of computation can serve as the main primitives of an "intelligent" processor. Thus, in the same way classic processors are designed to optimize the hardware implementation of a set of fundamental operations, ELIPS is developed as an efficient implementation of computational intelligence primitives, and relies on a set of fuzzy set, fuzzy inference and neural modules, built in programmable analog hardware. The hardware programmability allows the processor to reconfigure into different machines, taking the most efficient hardware implementation during each phase of information processing. Following software demonstrations on several interceptor data, three important ELIPS building blocks (a fuzzy set preprocessor, a rule-based fuzzy system and a neural network) have been fabricated in analog VLSI hardware and demonstrated microsecond-processing times.

Daud, Taher

Considerations for Introducing Artificial Intelligence into Nuclear Power Plants

Advanced computational tools and techniques such as artificial intelligence and machine learning (AI/ML) can transform the nuclear power industry. This is necessary given that the economic viability of the existing fleet is in jeopardy and its labor-centric approach to operations and maintenance. Currently, AI/ML research is being undertaken for reactor system design and analysis including fault and accident prognosis, nuclear risk analysis such as plant safety and security evaluation, and plant operations and maintenance including predictive maintenance. Applications include both existing and advanced reactor technologies with the aim of improving operational and business efficiencies. Most every aspect of the organization can benefit, from instrumentation and control, to work planning, to human-machine interactions and business management. AI/ML in nuclear can simplify complex problems and produce more effective decision-making. Nonetheless, careful consideration must be given to the implementation of an AI/ML initiative. The aims of this research are to 1) review barriers to AI/ML adoption within the nuclear power industry, and 2) suggest potential solutions. These barriers are organized along five distinct categories (Figure 1) that are interconnected. The first are historical barriers that track the industry’s development over the decades including worldwide nuclear events that shaped public perceptions. The resulting federal scrutiny and intense safety culture that emerged are discussed. Technical barriers to AI/ML adoption are considerable, and include data privacy concerns, data governance, and the current lack of AI/ML expert knowledge at the plants. The main business case barrier remains cost, but an absence of an industry-wide vision and wide-scale adoption also produces reluctance. Stakeholder readiness is reviewed with special attention given to regulatory readiness. The 5-year strategic plan for AI readiness recently published by the U.S. Nuclear Regulatory Commission is highlighted. Last, adoption barriers at the user level are addressed including the importance of user experience and explainable AI. The AI adoption barriers described here are inter-related and ideally should be addressed in a holistic fashion.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND

From Blood Platelets Classification to Earth System Digital Twins: A Career in Computer Vision

IEEE SIgnal Processing Society (SPS) and Women in Signal Processing (WiSP) Webinar (https://signalprocessingsociety.org/blog/webinar-wisp-blood-platelets-classification-earth-system-digital-twins-career-computer-vision): Join us for an interactive session with Dr. Jacqueline Le Moigne, Manager of the NASA Science Mission Directorate Earth Science Technology Office’s Advanced Information Systems Technology Program. In this webinar, Dr. Le Moigne will share her journey through academia, the private sector, and her pivotal roles at NASA, emphasizing her work in signal processing, computer vision, and related technologies. The webinar will conclude with an interactive Q&A session, providing attendees the opportunity to engage directly with Dr. Le Moigne about her experiences and insights. Dr. Jacqueline Le Moigne manages NASA's Advanced Information Systems Technology Program, focusing on novel technologies that support Earth Science missions. She previously held roles at NASA Goddard, including Assistant Chief for Technology, and has worked on NASA's Space Technology Research Grants Program and Technology Roadmaps. Before NASA, she was a Research Scientist at the University of Maryland's Computer Vision Laboratory and also gained experience in the private sector. Jacqueline earned her Ph.D. in Computer Science from the University Pierre and Marie Curie in Paris. Her research interests include Image Registration, Computer Vision, Artificial Intelligence, Autonomous Systems, Distributed Spacecraft Missions (DSM), and Earth System Digital Twins (ESDT), as well as high-performance and onboard computing. She has authored over 180 publications, including books and patents, and has received multiple awards, including the NASA Exceptional Service Medal and the Goddard Information Science and Technology Award in 2012.

Computer Vision; Image Processing; Earth Science R

Digital Twins for Data Centers

Fueled by an unprecedented adoption of AI (Artificial Intelligence), data centers are becoming the largest growing consumers of energy. Digital Twins provide living digital models of physical systems that enable data-driven analysis and application of AI to better manage selective aspects of the data center and drive efficiency for sustainability. Digital twins have emerged as a way to create virtual prototypes of physical artifacts, which may be used in a variety of contexts. Physical artifacts include airplanes, factories, or even static objects, such as bridges or dams. Digital twin helps monitor changes and assist in predicting planned or unplanned behaviors of physical objects. In this paper, we discuss digital twins for data centers.

97 MATHEMATICS AND COMPUTING

ADEPT: A Pedagogical Framework for Integrating Agentic AI with Deterministic Scientific Workflows

The integration of Large Language Models (LLMs) into scientific research promises to accelerate discovery, yet a significant gap remains between the dynamic reasoning of Artificial Intelligence (AI) agents and the static, deterministic nature of canonical scientific workflows. This paper introduces ADEPT (Agentic Discovery and Exploration Platform for Tools), a reference architecture and pedagogical framework explicitly designed to bridge this gap. ADEPT's primary mission is to provide a transparent, "glass-box" environment where researchers and engineers can learn to effectively wrap established scientific software (e.g., BLAST, Nextflow pipelines) and compose it into reliable, agent-driven workflows. We describe its modular, multi-server architecture, which leverages the Model Context Protocol (MCP) for tool serving, LangGraph for robust agentic orchestration, and a secure nsjail-based sandbox for safe code execution. By prioritizing architectural clarity, safety, and modularity, ADEPT serves as an extensible blueprint for building trustworthy AI-augmented systems and fosters the collaborative development necessary to responsibly employ agentic AI for science. We provide practical examples of how to adapt and extend this framework, highlighting its utility in workforce development and AI-readiness capabilities across research and development projects.

97 MATHEMATICS AND COMPUTING

Distributed communications and control network for robotic mining

The application of robotics to coal mining machines is one approach pursued to increase productivity while providing enhanced safety for the coal miner. Toward that end, a network composed of microcontrollers, computers, expert systems, real time operating systems, and a variety of program languages are being integrated that will act as the backbone for intelligent machine operation. Actual mining machines, including a few customized ones, have been given telerobotic semiautonomous capabilities by applying the described network. Control devices, intelligent sensors and computers onboard these machines are showing promise of achieving improved mining productivity and safety benefits. Current research using these machines involves navigation, multiple machine interaction, machine diagnostics, mineral detection, and graphical machine representation. Guidance sensors and systems employed include: sonar, laser rangers, gyroscopes, magnetometers, clinometers, and accelerometers. Information on the network of hardware/software and its implementation on mining machines are presented. Anticipated coal production operations using the network are discussed. A parallelism is also drawn between the direction of present day underground coal mining research to how the lunar soil (regolith) may be mined. A conceptual lunar mining operation that employs a distributed communication and control network is detailed.

Schiffbauer, William H.

Exascale Computing and Data Handling: Challenges and Opportunities for Weather and Climate Prediction

The emergence of exascale computing and artificial intelligence offer tremendous potential to significantly advance Earth system prediction capabilities. However, enormous challenges must be overcome to adapt models and prediction systems to use these new technologies effectively. A 2022 WMO report on exascale computing recommends “urgency in dedicating efforts and attention to disruptions associated with evolving computing technologies that will be increasingly difficult to overcome, threatening continued advancements in weather and climate prediction capabilities.” Further, the explosive growth in data from observations, model and ensemble output, and postprocessing threatens to overwhelm the ability to deliver timely, accurate, and precise information needed for decision-making. Artificial intelligence (AI) offers untapped opportunities to alter how models are developed, observations are processed, and predictions are analyzed and extracted for decision-making. Given the extraordinarily high cost of computing, growing complexity of prediction systems, and increasingly unmanageable amount of data being produced and consumed, these challenges are rapidly becoming too large for any single institution or country to handle. This paper describes key technical and budgetary challenges, identifies gaps and ways to address them, and makes a number of recommendations.

Atmosphere

C-Language Integrated Production System, Version 6.0

C Language Integrated Production System (CLIPS) computer programs are specifically intended to model human expertise or other knowledge. CLIPS is designed to enable research on, and development and delivery of, artificial intelligence on conventional computers. CLIPS 6.0 provides cohesive software tool for handling wide variety of knowledge with support for three different programming paradigms: rule-based, object-oriented, and procedural. Rule-based programming: representation of knowledge as heuristics - essentially, rules of thumb that specify set of actions performed in given situation. Object-oriented programming: modeling of complex systems comprised of modular components easily reused to model other systems or create new components. Procedural-programming: representation of knowledge in ways similar to those of such languages as C, Pascal, Ada, and LISP. Version of CLIPS 6.0 for IBM PC-compatible computers requires DOS v3.3 or later and/or Windows 3.1 or later.

Riley, Gary

Intelligent test integration system

A new test technology is described which was developed for space system integration. The ultimate purpose of the system is to support the automatic generation of test systems in real time, distributed computing environments. The Intelligent Test Integration System (ITIS) is a knowledge based layer above the traditional test system components which can generate complex test configurations from the specification of test scenarios.

Sztipanovits, J.

ChemComp: A Compilation Framework for Computing with Chemical Reaction Networks

The acceleration of scientific computation, data analytics, and artificial intelligence is driving a surge in computational requirements. Yet, state-of-the-art high-performance computing systems are approaching physical limitations that impede further significant improvements in energy efficiency. As we move towards post-exascale computing systems, innovative approaches are necessary to overcome this barrier in power consumption. Novel analog and hybrid digital-analog architectures hold promise for enhancing energy efficiency by several orders of magnitude. Biochemical computation stands out among the various solutions being explored due to its potential to enable new classes of devices with immense computational capabilities. These devices can capitalize on the inherent efficacy of biological cells in solving optimization problems and are scalable through increasing reaction system size or vessel capacity, potentially satisfying scientific computing's high-performance requirements. Nonetheless, several theoretical and practical limitations persist, including problem formulation and mapping to chemical reaction networks (CRNs) and implementation of actual CRN devices. In this paper, we propose a framework for biochemical computation using systems chemistry. We present the initial components of our approach: an abstract chemical reaction dialect implemented as a multi-level intermediate representation (MLIR) compiler extension and a pathway to represent mathematical problems with CRNs. To showcase the potential of this approach, we emulate a simplified chemical reservoir device. This work lays the groundwork for leveraging chemistry's computing potential in creating energy-efficient, high-performance computing systems tailored to contemporary computational needs.

artificial intelligence

The Development of an Airborne Instrumentation Computer System for Flight Test

Instrumentation interfacing frequently requires the linking of intelligent systems together, as well as requiring the link itself to be intelligent. The airborne instrumentation computer system (AICS) was developed to address this requirement. Its small size, approximately 254 by 133 by 140 mm (10 by 51/4 by 51/2 in), standard bus, and modular board configuration give it the ability to solve instrumentation interfacing and computation problems without forcing a redesign of the entire unit. This system has been used on the F-15 aircraft digital electronic engine control (DEEC) and its follow on engine model derivative (EMD) project and in an OV-1C Mohawk aircraft stall speed warning system. The AICS is presently undergoing configuration for use on an F-104 pace aircraft and on the advanced fighter technology integration (AFTI) F-111 aircraft.

Voice synthesizer