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DOE OSTI2016

Asynchronous Runtimes in Action: An Introspective Framework for a Next Gen Runtime

One of the most critical challenges that new high performance systems face is the lack of system software support for these large scale systems. Investment on system stack components is essential in the development, debugging and optimization of the new emerging programming models. These emerging models have the promise to better utilize the vast hardware resources available in current and future systems. To aid in the development of applications and new system stacks, runtimes, as instances of their respective execution models, need to produce facilities to introspect their inner workings and allow an indepth attribution of performance bottlenecks and computational patterns. In other words, the runtime systems need to reduce their opacity to observers so that users of a novel program execution model can adapt their designs to fit the intended model usage, regardless of the layer that they are working on. This design/development loop (akin to co-design) enables synergistic opportunities across the entire computational stack. This paper presents the design and implementation of a simple “gray” box performance attribution harness running inside a fine grain runtime system: the Open Community Runtime (OCR). We showcase what such a framework can indicate regarding the runtime behavior while running at scale. To this end, we have designed a set of synthetic scenarios aimed to test the runtime at their best and worst cases. We present an analysis of the most important runtime features, properties and idiosyncrasies that will affect the development of new runtime features, algorithmic selection, and application development.

high performance distributed runtimes↗

DOE OSTI2026

Mass Spectrometer Transient Analysis

This software implements a complete preprocessing pipeline for transient mass spectrometry (MS) data collected during TAP (Temporal Analysis of Products) experiments. It is designed to extract chemically meaningful fluxes from overlapping ion signals by applying a calibrated defragmentation matrix and solving the resulting linear system using non-negative least squares (NNLS) regression. The core script, preprocess_mass_spec.py, performs the following operations: Gain correction: Applies amplifier gain scalars derived from inert-packed calibration pulses to normalize signal intensities across AMUs and acquisition settings. Background subtraction: Removes experiment baselines using user-defined time windows, ensuring compatibility with slow-diffusing species and preventing negative values that would interfere with NNLS. Options to subtract before and after defragmentation. Defragmentation: Constructs a fragmentation matrix A from zeroth moments of calibration pulses (equal molar gas:inert mixtures) and solves Ax=b at each time point, where b is the raw MS signal and x is the estimated species flux. The matrix is normalized to inert signals and accounts for instrument-specific fragmentation behavior. Pulse-mode handling: Supports both averaged and individual pulse modes, enabling statistical treatment of fluxes and calculation of standard deviations. Integration and output: Computes zeroth moments (integrated fluxes) and exports time-resolved and integrated data in CSV format, suitable for downstream kinetic modeling. The software is validated using both virtual TAP simulations (VTAP) and experimental data from propane dehydrogenation (PDH) on CrOx/Al2O3 catalysts. It preserves temporal resolution by applying NNLS point-by-point across the pulse duration (typically 6,000+ time slices per pulse), leveraging the linear superposition principle to reconstruct full flux profiles. The defragmented outputs are compatible with kinetic extraction methods such as the G and Y procedures, which are used to derive rate–concentration relationships from TAP data. The details of these validations are discussed in detail in the supporting manuscript and supporting information. Example data and output files are also included. The methodology is robust to experimental noise and drift, with calibration protocols that account for pulse size effects, MS aging, and inert gas normalization. The software is modular, reproducible, and tailored for high-throughput TAP-MS workflows in catalysis research.

Kristy, Stephen [Idaho National Laboratory (INL), ↗

DOE OSTI2012

Reliable High Performance Peta- and Exa-Scale Computing

As supercomputers become larger and more powerful, they are growing increasingly complex. This is reflected both in the exponentially increasing numbers of components in HPC systems (LLNL is currently installing the 1.6 million core Sequoia system) as well as the wide variety of software and hardware components that a typical system includes. At this scale it becomes infeasible to make each component sufficiently reliable to prevent regular faults somewhere in the system or to account for all possible cross-component interactions. The resulting faults and instability cause HPC applications to crash, perform sub-optimally or even produce erroneous results. As supercomputers continue to approach Exascale performance and full system reliability becomes prohibitively expensive, we will require novel techniques to bridge the gap between the lower reliability provided by hardware systems and users unchanging need for consistent performance and reliable results. Previous research on HPC system reliability has developed various techniques for tolerating and detecting various types of faults. However, these techniques have seen very limited real applicability because of our poor understanding of how real systems are affected by complex faults such as soft fault-induced bit flips or performance degradations. Prior work on such techniques has had very limited practical utility because it has generally focused on analyzing the behavior of entire software/hardware systems both during normal operation and in the face of faults. Because such behaviors are extremely complex, such studies have only produced coarse behavioral models of limited sets of software/hardware system stacks. Since this provides little insight into the many different system stacks and applications used in practice, this work has had little real-world impact. My project addresses this problem by developing a modular methodology to analyze the behavior of applications and systems during both normal and faulty operation. By synthesizing models of individual components into a whole-system behavior models my work is making it possible to automatically understand the behavior of arbitrary real-world systems to enable them to tolerate a wide range of system faults. My project is following a multi-pronged research strategy. Section II discusses my work on modeling the behavior of existing applications and systems. Section II.A discusses resilience in the face of soft faults and Section II.B looks at techniques to tolerate performance faults. Finally Section III presents an alternative approach that studies how a system should be designed from the ground up to make resilience natural and easy.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Modeling Classical Heat Conduction in FLAG

The Los Alamos National Laboratory FLAG code contains both electron and ion heat conduction modules; these have been constructed to be directly relevant to user application problems. However, formal code verification of these modules requires quantitative comparison to exact solutions of the underlying mathematical models. A wide variety of exact solutions to the classical heat conduction equation are available for this purpose. This report summarizes efforts involving the representation of the classical heat conduction equation as following from the large electron-ion coupling limit of the electron and ion 3T temperature equations, subject to electron and ion conduction processes. In FLAG, this limiting behavior is quantitatively verified using a simple exact solution of the classical heat conduction equation. For this test problem, both heat conduction modules produce nearly identical spatial electron and ion temperature profiles that converge at slightly less than 2nd order to the corresponding exact solution.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Integrated FHR technology development: Tritium management, materials testing, salt chemistry control, thermal hydraulics and neutronics, associated benchmarking and commercial basis

This report summarizes the results of a 3-year Integrated Research Project (IRP) sponsored by the U.S. Department of Energy to address major technical challenges in the development of the Fluoride-salt-cooled High-temperature Reactor (FHR). The IRP universities included the Massachusetts Institute of Technology (MIT), the University of California at Berkeley (UCB), the University of Wisconsin (UW), and the University of New Mexico (UNM). The FHR is a new reactor concept less than 20 years old that combines (1) a clean fluoride salt coolant, (2) the graphite-matrix coated-particle fuel originally developed for High- Temperature Gas-Cooled Reactors and (3) passive decay heat removal systems from sodium fast reactors. The base-line design is a pebble-bed FHR that delivers heat between 600 to 700°C with a 7 Li 2 BeF 4 (flibe) salt coolant to the power cycle or industrial users. The Executive Summary describes what was accomplished and summarizes major conclusions. The main report contains stand-alone sections in each major area of work. Highlights are summarized below. Tritium. The coolant salt produces tritium necessitating understanding and control of tritium. Experimental work included measuring hydrogen uptake on carbon, tritium uptake during irradiation of graphite in 700°C salt and the permeability of tritium through metals with and without coatings. An FHR systems model was developed to predict tritium behavior and enable design of tritium control systems. The leading candidate for tritium removal from the flibe salt is carbon bed outside the reactor core. Thermal hydraulics and Neutronics. A 10-meter high FHR integral effects test facility, using Dowtherm A®, has been built and used to simulate the integral response of a representative FHR to improve understanding of FHR thermal hydraulics and validate thermal hydraulics codes used for the FHR. Neutronic analysis included code-to-code benchmarking, multiphysics modeling, uncertainty analysis for nuclear data uncertainties and shielding analysis. Twisted-tube heat exchangers were examined that may provide significant cost reductions because of their improved heat-transfer performance with liquid salts. The impacts on safety and design caused by uncertainties in physical properties of the salt were assessed with recommendations on where added physical property measurements are needed. Work began on understanding radiative heat transfer that becomes important in salt systems at higher temperatures. Materials. Static corrosion tests were conducted on graphite and materials in 700°C salt -- both in the UW laboratory and in the MIT reactor. In addition to static corrosion testing, a circulating salt corrosion loop was built and is operating. Methods to measure salt properties including redox were developed. The presence of carbon increases corrosion. With good redox control, the evidence indicates stainless steel can be used as a material of construction. Benchmarking. An additional series of workshops where held to enable benchmarking and comparison of results between different investigators. Commercialization. The FHR delivers higher average-temperature (~650°C) heat to the power cycle or industry than other reactors. This enables power cycles with lower-cost heat storage for variable electricity to the grid while the reactor operates at base-load -- providing a major competitive advantage by maximizing revenue from electricity sales. In October, 2016, a new startup company named Kairos Power was formed, and opened its first office in Jack London Square, Oakland, California, in January 2017. Kairos Power exists largely due to the work that was accomplished by this IRP and the previous DOE-funded FHR IRP that performed research on FHR technology from 2012 to 2015. In September, 2018, as this IRP is concluding, Kairos Power was staffed at 60 full time employees, working to develop technology derived from this IRP. Many of these employees worked with the IRP before joining Kairos Power 1 (https://kairospower.com). Other students and researchers from this IRP have joined other startup companies, including the Terrapower Molten Chloride Fast Reactor and the Terrestrial Energy development efforts.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2023

Simulating Catalysis with Realistic Pellet Geometries Using Mesoflow: A Case Study of Catalytic Propane Dehydrogenation

We present a case study of catalytic propane dehydrogenation with our open-source multiphysics solver, Mesoflow. The solver was developed to simulate reactive flow coupled to heterogeneous catalytic reactions and deactivation in the context of complex, mesoscale geometry. The method leverages cartesian block-structured adaptive mesh refinement to capture realistic catalyst microstructural features acquired directly from X-ray computed tomography data. A kinetic model for propane dehydrogenation and catalyst deactivation was developed based on temporal analysis of products (TAP) reactor experiments. The TAP reactor experiments allow for precise characterization of intrinsic kinetic reaction steps which are implemented into Mesoflow simulations to model the spatial and temporal evolution of reactants, products, and catalyst active sites. The short-term and long-term deactivation behavior is studied by using XCT data collected from fresh and aged catalyst pellets, which exhibit different microstructural features. This study employs time-splitting algorithms to connect disparate reaction and flow timescales, enabling the simulations to achieve realistic deactivation timescales on the order of minutes while the flow time-scales for small particles (100 microns) are several milliseconds. We also introduce a flexible automated python script that writes the necessary files to construct a Mesoflow simulation from user-created chemical mechanisms. We will also introduce a few new features that are added to Mesoflow such as higher order schemes, implicit chemistry integrators and the ability to run on AMD and NVIDIA graphics-processing-units.

AMReX↗

DOE OSTI2019

A User Guide to PARET/ANL

PARET was originally created in 1969 at what is now Idaho National Laboratory (INL), to analyze reactivity insertion events in research and test reactor cores cooled by light or heavy water, with fuel composed of either plates or pins. The use of PARET is also appropriate for fuel assemblies with curved fuel plates when their radii of curvatures are large with respect to the fuel plate thickness. The PARET/ANL version of the code has been developed at Argonne National Laboratory (ANL) under the sponsorship of the U.S. Department of Energy/NNSA since the inception of the Reactor Conversion Program. Since Reduced Enrichment for Research and Test Reactors (RERTR) began in 1978, PARET/ANL has been benchmarked to experimental data including SPERT testing, and used to determine the expected transient behavior of a large number of reactors regardless of enrichment both inside and outside the Reactor Conversion Program. This document provides the pertinent information for the use of PARET/ANL Version 7.6. PARET/ANL models the various fueled regions of a reactor core as channels. Each of these channels consists of a single flat fuel plate/pin (including cladding and, optionally, a gap) with water coolant on each side. In slab geometry the coolant channels for a given fuel plate are of identical dimensions (mirror symmetry), but they can be of different thickness in each channel. There can be many channels, but each channel is independent and coupled only through reactivity feedback effects to the whole core. The time-dependent differential equations that represent the system are replaced by an equivalent set of finite-difference equations in space and time, which are integrated numerically. PARET/ANL uses fundamentally the same numerical scheme as RELAP5 for the time-integration of the point-kinetics equations. The one-dimensional thermal-hydraulic model includes temperature-dependent thermal properties of the solid materials, such as heat capacity and thermal conductivity, as well as the transient heat production and heat transfer from the fuel meat to the coolant. Temperature- and pressure-dependent thermal properties of the coolant such as enthalpy, density, thermal conductivity, and viscosity are also used in determining parameters such as friction factors and heat transfer coefficients. The code first determines the steady-state solution for the initial state. Then the solution of the transient is obtained by integration in time and space. Multiple heat transfer, DNB and flow instability correlations are available. The code was originally developed to model reactors cooled by an open loop, which was adequate for rapid transients in pool-type cores. An external loop model appropriate for Miniature Neutron Source Reactors (MNSR’s) was also added to PARET/ANL to model natural circulation within the vessel, heat transfer from the vessel to pool and heat loss by evaporation from the pool. PARET/ANL also contains models for decay heat after shutdown, control rod reactivity versus time or position, time-dependent pump flow, and loss-of-flow event with flow reversal as well as logic for trips on period, power, and flow. Feedback reactivity effects from coolant density changes and temperature changes are represented by tables. Feedback reactivity from fuel heat-up (Doppler Effect) is represented by a four-term polynomial in powers of fuel temperature. Photo-neutrons produced in beryllium or in heavy water may be included in the point-kinetics equations by using additional delayed neutron groups.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2015

MELCOR Computer Code Manuals Volume 1: Primer and Users' Guide

MELCOR is a fully integrated, engineering-level computer code that models the progression of severe accidents in light water reactor nuclear power plants. MELCOR is being developed at Sandia National Laboratories for the U.S. Nuclear Regulatory Commission as a second-generation plant risk assessment tool and the successor to the Source Term Code Package. A broad spectrum of severe accident phenomena in both boiling and pressurized water reactors is treated in MELCOR in a unified framework. These include thermal-hydraulic response in the reactor coolant system, reactor cavity, containment, and confinement buildings; core heatup, degradation, and relocation; core-concrete attack; hydrogen production, transport, and combustion; fission product release and transport behavior. Current uses of MELCOR include estimation of severe accident source terms and their sensitivities and uncertainties in a variety of applications.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

BASIN-3D: A brokering framework to integrate diverse environmental data

Diverse observational and simulation datasets are needed to understand and predict complex ecosystem behavior over seasonal to decadal and century time-scales. Integration of these datasets poses a major barrier towards advancing environmental science, particularly due to differences in the structure and formats of data provided by various sources. Here, we describe BASIN-3D (Broker for Assimilation, Synthesis and Integration of eNvironmental Diverse, Distributed Datasets), a data integration framework designed to dynamically retrieve and transform heterogeneous data from different sources into a common format to provide an integrated view. BASIN-3D enables users to adopt a standardized approach for data retrieval and avoid customizations for the data type or source. We demonstrate the value of BASIN-3D with two use cases that require integration of data from regional to watershed spatial scales. The first application uses the BASIN-3D Python library to integrate time-series hydrological and meteorological data to provide standardized inputs to analytical and machine learning codes in order to predict the impacts of hydrological disturbances on large river corridors of the United States. The second application uses the BASIN-3D Django framework to integrate diverse time-series data in a mountainous watershed in East River, Colorado, United States to enable scientific researchers to explore and download data through an interactive web portal. Thus, BASIN-3D can be used to support data integration for both web-based tools, as well as data analytics using Python scripting and extensions like Jupyter notebooks. The framework is expected to be transferable to and useful for many other field and modeling studies.

Varadharajan, C↗

DOE OSTI2016

CO Oxidation on Au/TiO 2 : Condition-Dependent Active Sites and Mechanistic Pathways

We present results of ab initio electronic structure and molecular dynamics simulations (AIMD), as well as microkinetic modeling of CO oxidation catalyzed by TiO2 supported Au nanocatalysts. A coverage-dependent microkinetic analysis, based on energetics obtained with density functional methods, shows that the dominant kinetic pathway, activated oxygen species, and catalytic active sites are all strongly depended on both temperature and oxygen partial pressure. A dynamic single atom catalytic (DSAC) mechanism for CO oxidation is proposed to be the dominant (but not the exclusive) pathway for this reaction under oxidative conditions below T < 400 K. This mechanism proceeds via an Au+-CO species that transfers from the Au-cluster to a surface oxygen ad-atom, where it reacts with the TiO2 support with a Mars van Krevelen mechanism to form CO2 and subsequently reintegrates back into the gold cluster to complete the catalytic cycle. At 300 = T = 600 K oxygen-bound single Au+CO sites and the perimeter sites of the Au-nanoparticle work in tandem to optimally catalyze the reaction. Above 600 K a variety of alternate pathways associated with the perimeter sites of the Au nanoparticle and/or the single atom site are found to be the most active pathways. Overall our results highlight the importance of the dynamic behavior of interfacial area between the catalysts and the support, which allows for a high degree of adaptation. This work was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences and performed at the Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated for Department of Energy by Battelle. Computational resources were provided at W. R. Wiley Environmental Molecular Science Laboratory (EMSL), a national scientific user facility sponsored by the Department of Energy’s Office of Biological and Environmental Research located at PNNL and the National Energy Research Scientific Computing Center (NERSC) at Lawrence Berkeley National Laboratory.

Wang, Yang-Gang↗

DOE OSTI2023

UnifyFS: A User-level Shared File System for Unified Access to Distributed Local Storage

We introduce UnifyFS, a user-level file system that aggregates node-local storage tiers available on high performance computing (HPC) systems and makes them available to HPC applications under a unified namespace. UnifyFS employs transparent I/O interception, so it does not require changes to application code and is compatible with commonly used HPC I/O libraries. The design of UnifyFS supports the predominant HPC I/O workloads and is optimized for bulk-synchronous I/O patterns. Furthermore, UnifyFS provides customizable file system semantics to flexibly adapt its behavior for diverse I/O workloads and storage devices. In this paper, we discuss the unique design goals and architecture of UnifyFS and evaluate its performance on a leadership-class HPC system. In our experimental results, we demonstrate that UnifyFS exhibits excellent scaling performance for write operations and can improve the performance of application checkpoint operations by as much as 3× versus a tuned configuration.

Brim, Michael↗

DOE OSTI2011

The Development of a Smart Distribution Grid Testbed for Integrated Information Management Systems

This paper presents a smart distribution grid testbed to test or compare designs of integrated information management systems (I2MSs). An I2MS extracts and synthesizes information from a wide range of data sources to detect abnormal system behaviors, identify possible causes, assess the system status, and provide grid operators with response suggestions. The objective of the testbed is to provide a modeling environment with sufficient data sources for the I2MS design. The testbed includes five information layers and a physical layer; it generates multi-layer chronological data based on actual measurement playbacks or simulated data sets produced by the physical layer. The testbed models random hardware failures, human errors, extreme weather events, and deliberate tampering attempts to allow users to evaluate the performance of different I2MS designs. Initial results of I2MS performance tests showed that the testbed created a close-to-real-world environment that allowed key performance metrics of the I2MS to be evaluated.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2016

Communication Characterization and Optimization of Applications Using Topology-Aware Task Mapping on Large Supercomputers

On large supercomputers, the job scheduling systems may assign a non-contiguous node allocation for user applications depending on available resources. With parallel applications using MPI (Message Passing Interface), the default process ordering does not take into account the actual physical node layout available to the application. This contributes to non-locality in terms of physical network topology and impacts communication performance of the application. In order to mitigate such performance penalties, this work describes techniques to identify suitable task mapping that takes the layout of the allocated nodes as well as the application's communication behavior into account. During the first phase of this research, we instrumented and collected performance data to characterize communication behavior of critical US DOE (United States - Department of Energy) applications using an augmented version of the mpiP tool. Subsequently, we developed several reordering methods (spectral bisection, neighbor join tree etc.) to combine node layout and application communication data for optimized task placement. We developed a tool called mpiAproxy to facilitate detailed evaluation of the various reordering algorithms without requiring full application executions. This work presents a comprehensive performance evaluation (14,000 experiments) of the various task mapping techniques in lowering communication costs on Titan, the leadership class supercomputer at Oak Ridge National Laboratory.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

Delayed HIV diagnosis common in Sweden, 2003–2010

Background: Early diagnosis of HIV is important for the prognosis of individual patients, because antiretroviral treatment can be started at the appropriate time, and for public health, because transmission can be prevented. Methods: Data were collected from 767 HIV patients who were diagnosed in Sweden during 2003–2010 and were infected in Sweden or born in Sweden and infected abroad. A recent infection testing algorithm (RITA) was applied to BED-EIA test results (OD-n < 0.8), CD4 counts (≥ 200 cells/μl), and clinical information. A recent infection classification was used as indicator for early diagnosis. Time trends in early diagnosis were investigated to detect population changes in HIV testing behavior. Patients with early diagnosis were compared to patients with delayed diagnosis with respect to age, gender, transmission route, and country of infection (Sweden or abroad). Results: Early diagnosis was observed in 271 patients (35%). There was no statistically significant time trend in the yearly percentage of patients with early diagnosis in the entire study group (p = 0.836) or in subgroups. Early diagnosis was significantly more common in men who have sex men (MSM) (45%) than in heterosexuals (21%) and injecting drug users (27%) (p < 0.001 and p = 0.001, respectively) in both univariate and multivariable analyses. The only other factor that remained associated with early diagnosis in multivariable analysis was young age group. Conclusion: Approximately one-third of the study patients were diagnosed early with no significant change over time. Delayed HIV diagnosis is a considerable problem in Sweden, which does not appear to diminish.

delayed diagnosis↗

DOE OSTI2016

Communication Characterization and Optimization of Applications Using Topology-Aware Task Mapping on Large Supercomputers

Sreepathi, Sarat↗

DOE OSTI2020

GradeIT (Road Grade Inference Tool)

The National Renewable Energy Laboratory (NREL) has developed the Road Grade Inference Tool, "GradeIT". This tool is a modular Python package the leverages the United States Geological Survey’s (USGS) 1/3 arc-second Digital Elevation Model (DEM), an open and free public dataset. Roadway gradient (slope) has a strong influence on vehicle energy consumption behavior and longitudinal dynamics. Therefore, any tools, models, or analyses that consider vehicle energy consumption or driving profiles is incomplete without accurate elevation and grade information. Despite the acute need for this data, it is rarely collected alongside GPS (latitude and longitude) data, and tools to post-process GPS data to append elevation and grade are difficult to come by. GradeIT satisfies this significant need in the research community. Utilization of the USGS DEM makes the underlying data available to any potential user and ensures continuous data anywhere in the continental United States. The USGS DEM is a great resource; however, in order to be useful for automotive and traffic engineering applications, significant interpolation and filtering is required to achieve an accurate representation of gradient on the roadway. GradeIT employs a two-dimensional interpolation to approximate elevation at a point on the road from the nearest nodes in the DEM. Then, GradeIT applies multiple filtering techniques to smooth the elevation profile to a realistic road topology. Finally, road grade is derived from the elevation profile and returned as the primary output.

Holden, Jacob↗

DOE OSTI2023

Quantum Computing – Real-Time Data Processing from a Dilution Refrigerator

This poster presents a real-time data visualization system for monitoring and displaying data from a Bluefors control unit connected to a dilution refrigerator. The goal is to provide an aesthetically pleasing and user-friendly web-based interface that continuously updates and displays critical data such as temperature and flow rates at various points within the refrigerator. Leveraging WebSocket technology, the system establishes multiple connections to the dilution refrigerators, enabling simultaneous monitoring of several units. The interactive webpage dynamically updates the data, providing researchers and operators with instant insights into the system's performance. The system's ability to stream and visualize data in real-time enhances the understanding of the dilution refrigerator's behavior, aiding in optimizing its operation and ensuring efficient scientific experiments. The application's web-based nature makes it easily accessible from any device with internet connectivity, promoting seamless collaboration and remote monitoring capabilities. Overall, this poster offers a comprehensive solution for real-time data visualization and analysis of dilution refrigerators, catering to the needs of researchers and scientists working in low-temperature physics and quantum computing fields.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2019

Solving equilibrium problems using extended mathematical programming

We introduce an extended mathematical programming framework for specifying equilibrium problems and their variational representations, such as generalized Nash equilibrium, multiple optimization problems with equilibrium constraints, and (quasi-) variational inequalities, and computing solutions of them from modeling languages. We define a new set of constructs with which users annotate variables and equations of the model to describe equilibrium and variational problems. Our constructs enable a natural translation of the model from one formulation to another more computationally tractable form without requiring the modeler to supply derivatives. In the context of many independent agents in the equilibrium, we facilitate expression of sophisticated structures such as shared constraints and additional constraints on their solutions. We define shared variables and demonstrate their uses for sparse reformulation, economic equilibrium problems sharing economic states, mixed pricing behavior of agents, and so on. We give some equilibrium and variational examples from the literature and describe how to formulate them using our framework. Experimental results comparing performance of various complementarity formulations for shared variables are provided. Our framework has been implemented and is available within GAMS/EMP.

Equilibrium programming↗