Simulation Intelligence: Towards a New Generation of Scientific Methods

The original "Seven Motifs" set forth a roadmap of essential methods for the field of scientific computing, where a motif is an algorithmic method that captures a pattern of computation and data movement. We present the "Nine Motifs of Simulation Intelligence", a roadmap for the development and integration of the essential algorithms necessary for a merger of scientific computing, scientific simulation, and artificial intelligence. We call this merger simulation intelligence (SI), for short. We argue the motifs of simulation intelligence are interconnected and interdependent, much like the components within the layers of an operating system. Using this metaphor, we explore the nature of each layer of the simulation intelligence operating system stack (SI-stack) and the motifs therein: (1) Multi-physics and multi-scale modeling; (2) Surrogate modeling and emulation; (3) Simulation-based inference; (4) Causal modeling and inference; (5) Agent-based modeling; (6) Probabilistic programming; (7) Differentiable programming; (8) Open-ended optimization; (9) Machine programming. We believe coordinated efforts between motifs offers immense opportunity to accelerate scientific discovery, from solving inverse problems in synthetic biology and climate science, to directing nuclear energy experiments and predicting emergent behavior in socioeconomic settings. We elaborate on each layer of the SI-stack, detailing the state-of-art methods, presenting examples to highlight challenges and opportunities, and advocating for specific ways to advance the motifs and the synergies from their combinations. Advancing and integrating these technologies can enable a robust and efficient hypothesis-simulation-analysis type of scientific method, which we introduce with several use-cases for human-machine teaming and automated science

Quantitative methods for data driven reliability optimization of engineered systems

Particle accelerators, such as the Large Hadron Collider at CERN, are among the largest and most complex engineered systems to date. Future generations of particle accelerators are expected to increase in size, complexity, and cost. Among the many obstacles, this introduces unprecedented reliability challenges and requires new reliability optimization approaches. With the increasing level of digitalization of technical infrastructures, the rate and granularity of operational data collection is rapidly growing. These data contain valuable information for system reliability optimization, which can be extracted and processed with data-science methods and algorithms. However, many existing data-driven reliability optimization methods fail to exploit these data, because they make too simplistic assumptions of the system behavior, do not consider organizational contexts for cost-effectiveness, and build on specific monitoring data, which are too expensive to record. To address these limitations in realistic scenarios, a tailored methodology based on CRISP-DM (CRoss-Industry Standard Process for Data Mining) is proposed to develop data-driven reliability optimization methods. For three realistic scenarios, the developed methods use the available operational data to learn interpretable or explainable failure models that allow to derive permanent and generally applicable reliability improvements: Firstly, novel explainable deep learning methods predict future alarms accurately from few logged alarm examples and support root-cause identification. Secondly, novel parametric reliability models allow to include expert knowledge for an improved quantification of failure behavior for a fleet of systems with heterogeneous operating conditions and derive optimal operational strategies for novel usage scenarios. Thirdly, Bayesian models trained on data from a range of comparable systems predict field reliability accurately and reveal non-technical factors' influence on reliability. An evaluation of the methods applied to the three scenarios confirms that the tailored CRISP-DM methodology advances the state-of-the-art in data-driven reliability optimization to overcome many existing limitations. However, the quality of the collected operational data remains crucial for the success of such approaches. Hence, adaptations of routine data collection procedures are suggested to enhance data quality and to increase the success rate of reliability optimization projects. With the developed methods and findings, future generations of particle accelerators can be constructed and operated cost-effectively, ensuring high levels of reliability despite growing system complexity

AI/ML Algorithms and Applications in VLSI Design and Technology

An evident challenge ahead for the integrated circuit (IC) industry in the nanometer regime is the investigation and development of methods that can reduce the design complexity ensuing from growing process variations and curtail the turnaround time of chip manufacturing. Conventional methodologies employed for such tasks are largely manual; thus, time-consuming and resource-intensive. In contrast, the unique learning strategies of artificial intelligence (AI) provide numerous exciting automated approaches for handling complex and data-intensive tasks in very-large-scale integration (VLSI) design and testing. Employing AI and machine learning (ML) algorithms in VLSI design and manufacturing reduces the time and effort for understanding and processing the data within and across different abstraction levels via automated learning algorithms. It, in turn, improves the IC yield and reduces the manufacturing turnaround time. This paper thoroughly reviews the AI/ML automated approaches introduced in the past towards VLSI design and manufacturing. Moreover, we discuss the scope of AI/ML applications in the future at various abstraction levels to revolutionize the field of VLSI design, aiming for high-speed, highly intelligent, and efficient implementations

CFD Vision 2030 Study: A Path to Revolutionary Computational Aerosciences

This report documents the results of a study to address the long range, strategic planning required by NASA's Revolutionary Computational Aerosciences (RCA) program in the area of computational fluid dynamics (CFD), including future software and hardware requirements for High Performance Computing (HPC). Specifically, the "Vision 2030" CFD study is to provide a knowledge-based forecast of the future computational capabilities required for turbulent, transitional, and reacting flow simulations across a broad Mach number regime, and to lay the foundation for the development of a future framework and/or environment where physics-based, accurate predictions of complex turbulent flows, including flow separation, can be accomplished routinely and efficiently in cooperation with other physics-based simulations to enable multi-physics analysis and design. Specific technical requirements from the aerospace industrial and scientific communities were obtained to determine critical capability gaps, anticipated technical challenges, and impediments to achieving the target CFD capability in 2030. A preliminary development plan and roadmap were created to help focus investments in technology development to help achieve the CFD vision in 2030

Neural Network Methods for Radiation Detectors and Imaging

Recent advances in image data processing through machine learning and especially deep neural networks (DNNs) allow for new optimization and performance-enhancement schemes for radiation detectors and imaging hardware through data-endowed artificial intelligence. We give an overview of data generation at photon sources, deep learning-based methods for image processing tasks, and hardware solutions for deep learning acceleration. Most existing deep learning approaches are trained offline, typically using large amounts of computational resources. However, once trained, DNNs can achieve fast inference speeds and can be deployed to edge devices. A new trend is edge computing with less energy consumption (hundreds of watts or less) and real-time analysis potential. While popularly used for edge computing, electronic-based hardware accelerators ranging from general purpose processors such as central processing units (CPUs) to application-specific integrated circuits (ASICs) are constantly reaching performance limits in latency, energy consumption, and other physical constraints. These limits give rise to next-generation analog neuromorhpic hardware platforms, such as optical neural networks (ONNs), for high parallel, low latency, and low energy computing to boost deep learning acceleration

Vision 2040: A Roadmap for Integrated, Multiscale Modeling and Simulation of Materials and Systems

Over the last few decades, advances in high-performance computing, new materials characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) and additive manufacturing have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. While these advances have driven significant progress in the development of aerospace components and systems, that progress has been limited by persistent technology and infrastructure challenges that must be overcome to realize the full potential of integrated materials and systems design and simulation modeling throughout the supply chain. As a result, NASA's Transformational Tools and Technology (TTT) Project sponsored a study (performed by a diverse team led by Pratt & Whitney) to define the potential 25-year future state required for integrated multiscale modeling of materials and systems (e.g., load-bearing structures) to accelerate the pace and reduce the expense of innovation in future aerospace and aeronautical systems. This report describes the findings of this 2040 Vision study (e.g., the 2040 vision state; the required interdependent core technical work areas, Key Element (KE); identified gaps and actions to close those gaps; and major recommendations) which constitutes a community consensus document as it is a result of over 450 professionals input obtain via: 1) four society workshops (AIAA, NAFEMS, and two TMS), 2) community-wide survey, and 3) the establishment of 9 expert panels (one per KE) consisting on average of 10 non-team members from academia, government and industry to review, update content, and prioritize gaps and actions. The study envisions the development of a cyber-physical-social ecosystem comprised of experimentally verified and validated computational models, tools, and techniques, along with the associated digital tapestry, that impacts the entire supply chain to enable cost-effective, rapid, and revolutionary design of fit-for-purpose materials, components, and systems. Although the vision focused on aeronautics and space applications, it is believed that other engineering communities (e.g., automotive, biomedical, etc.) can benefit as well from the proposed framework with only minor modifications. Finally, it is TTT's hope and desire that this vision provides the strategic guidance to both public and private research and development decision makers to make the proposed 2040 vision state a reality and thereby provide a significant advancement in the United States global competitiveness

Robust learning algorithms for spiking and rate-based neural networks

Inspired by the remarkable properties of the human brain, the fields of machine learning, computational neuroscience and neuromorphic engineering have achieved significant synergistic progress in the last decade. Powerful neural network models rooted in machine learning have been proposed as models for neuroscience and for applications in neuromorphic engineering. However, the aspect of robustness is often neglected in these models. Both biological and engineered substrates show diverse imperfections that deteriorate the performance of computation models or even prohibit their implementation. This thesis describes three projects aiming at implementing robust learning with local plasticity rules in neural networks. First, we demonstrate the advantages of neuromorphic computations in a pilot study on a prototype chip. Thereby, we quantify the speed and energy consumption of the system compared to a software simulation and show how on-chip learning contributes to the robustness of learning. Second, we present an implementation of spike-based Bayesian inference on accelerated neuromorphic hardware. The model copes, via learning, with the disruptive effects of the imperfect substrate and benefits from the acceleration. Finally, we present a robust model of deep reinforcement learning using local learning rules. It shows how backpropagation combined with neuromodulation could be implemented in a biologically plausible framework. The results contribute to the pursuit of robust and powerful learning networks for biological and neuromorphic substrates

The impact of data filtration on the accuracy of multiple time-domain forecasting for photovoltaic power plants generation

The paper reports the forecasting model for multiple time-domain photovoltaic power plants, developed in response to the necessity of bad weather days’ accurate and robust power generation forecasting. We provide a brief description of the piloted short-term forecasting system and place under close scrutiny the main sources of photovoltaic power plants’ generation forecasting errors. The effectiveness of the empirical approach versus unsupervised learning was investigated in application to source data filtration in order to improve the power generation forecasting accuracy for unstable weather conditions. The k-nearest neighbors’ methodology was justified to be optimal for initial data filtration, based on the clusterization results, associated with peculiar weather and seasonal conditions. The photovoltaic power plants’ forecasting accuracy improvement was further investigated for a one hour-ahead time-domain. It was proved that operational forecasting could be implemented based on the results of short-term day-ahead forecast mismatches predictions, which form the basis for multiple time-domain integrated forecasting tools. After a comparison of multiple time series forecasting approaches, operational forecasting was realized based on the second-order autoregression function and applied to short-term forecasting errors with the resulting accuracy of 87%. In the concluding part of the article the authors from the points of view of computational efficiency and scalability proposed the hardware system composition. © 2020 by the authors. Licensee MDPI, Basel, Switzerland