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DOE OSTI2025

Decentralized Distributed Proximal Policy Optimization (DD-PPO) for High Performance Computing Scheduling on Multi-User Systems

Resource allocation in High Performance Computing (HPC) environments presents a complex and multifaceted challenge for job scheduling algorithms. Beyond the efficient allocation of system resources, schedulers must account for and optimize multiple performance metrics, including job wait time and system throughput. Traditional heuristic-based scheduling algorithms increasingly struggle and lack the efficiency needed to meet the demands and address the complexity and scale of modern HPC systems. Consequently, recent research efforts have focused on leveraging advancements in Artificial Intelligence (AI) and Deep Learning (DL), particularly Reinforcement Learning (RL), to develop more adaptable and intelligent scheduling strategies. Previous RL-based scheduling approaches have explored a range of algorithms, from Deep Q-Networks (DQN) to Proximal Policy Optimization (PPO), and more recently, hybrid methods that integrate Graph Neural Networks (GNNs) with RL techniques. However, a common limitation across these methods is their reliance on relatively small datasets, with few methods being evaluated using large-scale, multi-million-job trace datasets representative of real-world HPC workloads. Moreover, existing RL schedulers face scalability issues due to centralized policy updates, which hinder training efficiency and performance when applied to large datasets. This study introduces a novel RL-based scheduler utilizing Decentralized Distributed Proximal Policy Optimization (DD-PPO) algorithm, which supports large-scale distributed training across multiple workers without requiring parameter synchronization at every step. By eliminating reliance on centralized updates to a shared policy, the DD-PPO scheduler enhances scalability, training efficiency, and sample utilization. Experimental validation using a large real-world dataset containing over 11.5 million job traces collected from petascale HPC systems over six years assesses the influence of dataset scale on training effectiveness and compares DD-PPO performance to traditional and advanced scheduling approaches. The experimental results demonstrate improved scheduling performance in comparison to both heuristic-based schedulers and existing RL-based scheduling algorithms.

AI↗

DOE OSTI2021

Synchronized Phasor Measurement Unit-based Central Controller for Normal and Contingent Operation of a High-Capacity HVDC Macrogrid for the Continental US

This paper presents a Synchronized Phasor Measurement Unit (PMU) based controller to support the coordination and operation of a high-capacity high-voltage direct current (HVDC) macrogrid transmission for the continental US. The proposed controller allows for optimal scheduling of each segment of the multi-terminal HVDC network under normal and contingent conditions, while considering minimum levels of frequency response requirements. The performance of the proposed controller is tested on a 100,222-bus representation of the US Eastern and Western interconnections. Results show that a centralized PMU-based controller improves the frequency nadir of the HVDC macrogrid under contingency conditions by 25.9%. Furthermore, the primary frequency response (PFR) of the HVDC macrogrid is increased by 33.4%. The performance of each interconnection under the largest credible contingency conditions is also discussed.

Mohan, Nihal↗

DOE OSTI2021

Restoration Strategy for Active Distribution Systems Considering Endogenous Uncertainty in Cold Load Pickup

Cold load pickup (CLPU) phenomenon is identified as the persistent power inrush upon a sudden load pickup after an outage. Under the active distribution system (ADS) paradigm, where distributed energy resources (DERs) are extensively installed, the decreased outage duration can induce a strong interdependence between CLPU pattern and load pickup decisions. In this paper, we propose a novel modelling technique to tractably capture the decision-dependent uncertainty (DDU) inherent in the CLPU process. Subsequently, a two-stage stochastic decision-dependent service restoration (SDDSR) model is constructed, where first stage searches for the optimal switching sequences to decide step-wise network topology, and the second stage optimizes the detailed generation schedule of DERs as well as the energization of switchable loads. Further, to tackle the computational burdens introduced by mixed-integer recourse, the progressive hedging algorithm (PHA) is utilized to decompose the original model into scenario-wise subproblems that can be solved in parallel. The numerical test on modified IEEE 123-node test feeders has verified the efficiency of our proposed SDDSR model and provided fresh insights into the monetary and secure values of DDU quantification.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

Advanced Tri-lab Software Environment (ATSE)

The Advanced Tri-lab Software Environment (ATSE) is an effort to build an open, modular, extensible, community-engaged, and vendor-adaptable software ecosystem that enables the prototyping of new technologies for improving the ASC computing environment. The initial target for ATSE is to accelerate the maturity of the Arm ecosystem for supporting ASC computing and the high-performance computing community more broadly. ATSE provides an integrated and optimized software stack that includes: 1) Application development environment and libraries including compilers, math libraries, tools, MPI, and OpenMP, 2) Low-level system software including optimized Linux, network stack, file systems, containers, and virtual machines, 3) Job scheduling and management including workload manager, application launcher, and user tools, and 4) System administration and management tools supporting booting, monitoring, and operating system image management. SAND2020-12377 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Younge, Andrew J.↗

DOE OSTI2020

RLScheduler: An Automated HPC Batch Job Scheduler Using Reinforcement Learning

Today’s high-performance computing (HPC) platforms are still dominated by batch jobs. Accordingly, effective batch job scheduling is crucial to obtain high system efficiency. Existing HPC batch job schedulers typically leverage heuristic priority functions to prioritize and schedule jobs. But, once configured and deployed by the experts, such priority functions can hardly adapt to the changes of job loads, optimization goals, or system settings, potentially leading to degraded system efficiency when changes occur. To address this fundamental issue, we present RLScheduler, an automated HPC batch job scheduler built on reinforcement learning. RLScheduler relies on minimal manual interventions or expert knowledge, but can learn high-quality scheduling policies via its own continuous ‘trial and error’. We introduce a new kernel-based neural network structure and trajectory filtering mechanism in RLScheduler to improve and stabilize the learning process. Through extensive evaluations, we confirm that RLScheduler can learn high-quality scheduling policies towards various workloads and various optimization goals with relatively low computation cost. Moreover, we show that the learned models perform stably even when applied to unseen workloads, making them practical for production use.

Zhang, Di↗

DOE OSTI2026

FFTSF: Revisiting Sub-Seasonal Streamflow Forecasting with Simple Feedforward Network

Accurate short-to-subseasonal streamflow forecasts are vital for water management, including flood preparedness, drought mitigation, hydropower scheduling, and ecosystem protection. However, extending a forecast beyond a few days remains challenging due to complexity of hydrological processes. While recent self-attention based transformer architectures such as iTransformer have gained traction in time-series forecasting, these models suffer from several critical limitations: (1) significant computational overhead that scales quadratically with sequence length, (2) vulnerability to overfitting on limited hydrological datasets, (3) degraded performance on long-horizon forecasts due to attention decay, and (4) excessive architectural complexity that hampers interpretability and operational deployment. In this study, we propose a simple Feedforward Time Series Forecasting (FFTSF) network that directly addresses these limitations through its lightweight architecture and long-range forecasting capabilities. We evaluate FFTSF across 178 USGS stream gauges spanning diverse climate regimes by forecasting lead times of 1-, 7-, 14-, and 30-days. Our results demonstrate that FFTSF achieves competitive performance at short lead times (NSE of 0.778 for 1-day forecasts) while substantially outperforming complex baselines at longer forecast period, achieving the highest NSE (0.271) at 30-day forecasts with greater robustness and stability. For 30-day forecasts, FFTSF achieves a 71% improvement over NLinear, 57% improvement over DLinear and 12% improvement over the computationally intensive iTransformer while requiring fewer computational resources. Our findings reveal that architectural complexity is not necessary for hydrological forecasting, demonstrating that well-designed simple models can outperform attention mechanisms for subseasonal streamflow forecasting. The computational efficiency and consistent long-range performance of FFTSF make it suitable for water management applications where reliable extended forecasts are essential.

Krishnan Kutty Ambika, Anukesh [ORNL] (ORCID:00000↗

DOE OSTI2023

Deep reinforcement learning assisted co-optimization of Volt-VAR grid service in distribution networks

With the increasing penetration of distributed energy resources in distribution networks, Volt-VAR control and optimization (VVC/VVO) have become very important to ensure an acceptable quality of service to all customers. System operators can rely on slow-responding utility devices, including capacitor banks and on-load tap changing transformers, along with fast-responding battery and photovoltaic (PV) inverters for the VVC/VVO implementation. Because of variations in response time of these two classes of devices, and different control actions (discrete versus continuous), coordinated and optimal scheduling and operation have become of utmost importance. Here, this paper develops a look-ahead deep reinforcement learning (DRL)-based multi-objective VVO technique to improve the voltage profile of active distribution networks, decrease network and inverter power loss, and save the operational cost of the grid. It proposes a deep deterministic policy gradient (DDPG)-based approach to schedule the optimal reactive and/or active power set-points of fast-responding inverters, and a deep Q-network (DQN)-based DRL agent to schedule the discrete decisions variables of slow-responding assets. The reactive power output of PV and battery smart inverters are scheduled at 30-minute intervals and the capacitors’ commitment status is scheduled with several hour intervals. The proposed framework is validated on the modified IEEE 34-bus and 123-bus test cases with embedded PV and PV-plus-storage. To validate the efficacy of the proposed VVO, it is compared with several scenarios, including the base case without VVO, localized droop control of DERs, DDPG-only, and twin delayed DDPG (TD3) agent-based DRL techniques. The results justify the superior performance of the proposed method to improve the voltage profile, reduce network power loss, and minimize the look-ahead grid operational cost while minimizing the undesirable power losses in inverters as a result of power factor adjustments.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Cybersecurity Anomaly Detection in SCADA-Assisted OT Networks Using Ensemble-Based State Prediction Model

The cybersecurity threats of power system gradually grow due to the increased sophisticated interactions between Information Technology (IT) and Operational Technology (OT) networks. False data injection attack (FDIA) that aims to compromise the Supervisory Control and Data Acquisition (SCADA) measurement and disturb the system operation is one of such cyber threats. Such attacks can potentially lead to significant operational issues at the control centers and substations, and hence, result in severe physical consequences. To avoid catastrophic failure across the power grid resulting from these attacks, it is essential to arm the OT network with real-time vulnerability assessment tools. To this end, this paper outlines various drawbacks of the Purdue architecture model to defend against cyberattacks in the OT network. Furthermore, a novel ensemble-based state prediction model is proposed to detect cybersecurity anomalies in SCADA assisted OT networks. The proposed model uses control center level generation and load forecasts, scheduled, and forced outages, power flow solutions, and the substation level historical data. The hypothesis of the proposed scheme relies on the fact that additional control center and substation data can hardly be accessed and compromised by attackers. One of the vital features of the proposed scheme is an hour-ahead prediction of the operational feasibility of the SCADA measurement range at the control center and substation in real time helps in detecting anomalies in measurements across both substation and the control center.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2026

CRADA Number NFE-24-10110 with Qubit Engineering Inc. (CRADA Final Report)

Over the past year, the Qubit Engineering team has pushed the frontiers of power‑grid optimization, working in close collaboration with Oak Ridge National Laboratory (ORNL) and the Tennessee Valley Authority (TVA). Their progress is reflected in three newly submitted conference papers, “Unified Relational GNN Architecture for AC Optimal Power Flow Calculations in Electric Grids,” “Graph‑Based Attention Mechanisms for Solving the AC Optimal Power Flow Problem in Electrical‑Power Networks,” and “Enhanced Power‑Grid Maintenance Planning and Quantum‑Inspired Combinatorial Prospects.” These publications showcase state‑of‑the‑art graph‑neural‑network methods for AC‑OPF and novel quantum‑inspired heuristics for maintenance scheduling. Beyond the academic results, the Qubit team has converted the research into two production‑grade tools built on TVA data: Neuro‑Grid, an AI‑driven power‑flow simulator that provides instant, interactive full‑grid load‑flow visualizations, and Quanta‑Grid, a quantum‑inspired maintenance‑scheduling engine to support logistics optimization for power utilities. Together, these advances demonstrate how Qubit’s partnership with ORNL and TVA is delivering practical, physics‑grounded analytics for next‑generation grid management.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

Cross-Feature Transfer Learning for Efficient Tensor Program Generation

Tuning tensor program generation involves navigating a vast search space to find optimal program transformations and measurements for a program on the target hardware. The complexity of this process is further amplified by the exponential combinations of transformations, especially in heterogeneous environments. This research addresses these challenges by introducing a novel approach that learns the joint neural network and hardware features space, facilitating knowledge transfer to new, unseen target hardware. A comprehensive analysis is conducted on the existing state-of-the-art dataset, TenSet, including a thorough examination of test split strategies and the proposal of methodologies for dataset pruning. Leveraging an attention-inspired technique, we tailor the tuning of tensor programs to embed both neural network and hardware-specific features. Notably, our approach substantially reduces the dataset size by up to 53% compared to the baseline without compromising Pairwise Comparison Accuracy (PCA). Furthermore, our proposed methodology demonstrates competitive or improved mean inference times with only 25–40% of the baseline tuning time across various networks and target hardware. The attention-based tuner can effectively utilize schedules learned from previous hardware program measurements to optimize tensor program tuning on previously unseen hardware, achieving a top-5 accuracy exceeding 90%. This research introduces a significant advancement in autotuning tensor program generation, addressing the complexities associated with heterogeneous environments and showcasing promising results regarding efficiency and accuracy.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Optimizing the design and operation of water networks: Two decomposition approaches

We consider the design and operation of water networks simultaneously. Water network problems can be divided into two categories: the design problem and the operation problem. The design problem involves determining the appropriate pipe sizing and placements of pump stations, while the operation problem involves scheduling pump stations over multiple time periods to account for changes in supply and demand. Our focus is on networks that involve water co-produced with oil and gas. While solving the optimization formulation for such networks, we found that obtaining a primal (feasible) solution is more challenging than obtaining dual bounds using off-the-shelf mixed-integer nonlinear programming solvers. Therefore, we propose two methods to obtain good primal solutions. One method involves a decomposition framework that utilizes a convex reformulation, while the other is based on time decomposition. To test our proposed methods, we conduct computational experiments on a network derived from the PARETO case study.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Connecting the Dots: An Assessment of Cyber-risks in Networked Building and Municipal Infrastructure Systems

The buildings and city streets we walk down are changing. Driven by various data-driven use cases, there is increased interest in networking and integrating lighting and other building systems (e.g., heating, ventilation, and air conditioning (HVAC), security, scheduling) that were previously not internet-facing, and equipping them with sensors that collect information about their environment and the people that inhabit it. These data-enabled systems can potentially deliver improved occupant and resident experiences and help meet the U.S. Department of Energy (DOE) national energy and carbon reduction goals. Deploying connected devices new to being networked, however, is not without its challenges. This paper explores tools available to system designers and integrators that facilitate a cybersecurity landscape assessment – or more specifically the identification of threats, vulnerabilities, and adversarial behaviors that could be used against these networked systems. These assessments can help stakeholders shift security prioritization proactively toward the beginning of the development process.

cyber-risk assesment, adversarial behavior, MITRE ↗

DOE OSTI2023

High-Resolution Synthetic Solar Irradiance Sequence Generation: An LSTM-Based Generative Adversarial Network

The rapid growth of renewable energy resources penetration is bringing more challenges to power system planning and operation. Relevant renewable energy integration studies, such as the capability and dynamic performance of inverter-based resources' primary frequency response and fast frequency response, require high-resolution renewable generation output data that are representative of renewable energy resources. This paper focuses on creating synthetic but realistic solar irradiance data and proposes a long short-term memory-based generative adversarial network to generate high-resolution (second-level) solar irradiance sequences from low-resolution (minute-level) measurements. Combined with a classifier to recognize the solar irradiance patterns, the proposed model is trained using multi-loss functions to accurately capture the temporal correlations among both high-resolution and low-resolution sequences. Verification of the proposed approach is performed on the data set of the Oahu Solar Measurement Grid collected through the National Renewable Energy Laboratory. The results of the case studies demonstrate the proposed approach's capability to capture the statistical characteristics of different solar irradiance patterns and to generate high-quality synthetic solar irradiance sequences in high resolution.

dynamic scheduling↗

DOE OSTI2025

Predicting runtime and resource utilization of jobs on integrated cloud and HPC systems

Recent advances in virtualization technologies used in cloud computing offer performance that closely approaches bare-metal levels. Combined with specialized instance types and high-speed networking services for cluster computing, cloud platforms have become a compelling option for high-performance computing (HPC). However, most current batch job schedulers in HPC systems are designed for homogeneous clusters and make decisions based on limited information about jobs and system status. Scientists typically submit computational jobs to these schedulers with a requested runtime that is often over- or under-estimated. More accurate runtime predictions can help schedulers make better decisions and reduce job turnaround times. Here, they can also support decisions about migrating jobs to the cloud to avoid long queue wait times in HPC systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

MSASGCN : Multi-Head Self-Attention Spatiotemporal Graph Convolutional Network for Traffic Flow Forecasting

Traffic flow forecasting is an essential task of an intelligent transportation system (ITS), closely related to intelligent transportation management and resource scheduling. Dynamic spatial-temporal dependencies in traffic data make traffic flow forecasting to be a challenging task. Most existing research cannot model dynamic spatial and temporal correlations to achieve well-forecasting performance. The multi-head self-attention mechanism is a valuable method to capture dynamic spatial-temporal correlations, and combining it with graph convolutional networks is a promising solution. Therefore, we propose a multi-head self-attention spatiotemporal graph convolutional network (MSASGCN) model. It can effectively capture local correlations and potential global correlations of spatial structures, can handle dynamic evolution of the road network, and, in the time dimension, can effectively capture dynamic temporal correlations. Experiments on two real datasets verify the stability of our proposed model, obtaining a better prediction performance than the baseline algorithms. The correlation metrics get significantly reduced compared with traditional time series prediction methods and deep learning methods without using graph neural networks, according to MAE and RMSE results. Compared with advanced traffic flow forecasting methods, our model also has a performance improvement and a more stable prediction performance. We also discuss some problems and challenges in traffic forecasting.

Cao, Yang↗

DOE OSTI2020

Performance Prediction of Big Data Transfer Through Experimental Analysis and Machine Learning

Big data transfer in next-generation scientific applications is now commonly carried out over connections with guaranteed bandwidth provisioned in High-performance Networks (HPNs) through advance bandwidth reservation. To use HPN resources efficiently, provisioning agents need to carefully schedule data transfer requests and allocate appropriate bandwidths. Such reserved bandwidths, if not fully utilized by the requesting user, could be simply wasted or cause extra overhead and complexity in management due to exclusive access. This calls for the capability of performance prediction to reserve bandwidth resources that match actual needs. Towards this goal, we employ machine learning algorithms to predict big data transfer performance based on extensive performance measurements, which are collected over a span of several years from a large number of data transfer tests using different protocols and toolkits between various end sites on several real-life physical or emulated HPN testbeds. We first identify a comprehensive list of attributes involved in a typical big data transfer process, including end host system configurations, network connection properties, and control parameters of data transfer methods. We then conduct an in-depth exploratory analysis of their impacts on application-level throughput, which provides insights into big data transfer performance and motivates the use of machine learning. We also investigate the applicability of machine learning algorithms and derive their general performance bounds for performance prediction of big data transfer in HPNs. Experimental results show that, with appropriate data preprocessing, the proposed machine learning-based approach achieves 95% or higher prediction accuracy in up to 90% of the cases with very noisy real-life performance measurements.

Yun, Daqing↗

DOE OSTI2023

Machine learning–assisted prediction of heat fluxes through thermally anisotropic building envelopes

Thermally anisotropic building envelope (TABE) is a novel active building envelope that can save energy use to maintain thermal comfort in buildings by redirecting heat and coolness from building envelopes to thermal loops. Finite element models (FEMs) can be used to compute the heat fluxes through TABEs, but the high computational cost of finite element simulations has prevented parametric studies and design optimizations. This paper proposes a domain knowledge–informed, finite element–based machine learning framework to reduce the computation cost for the energy management of buildings installed with TABE that uses a ground thermal loop. First, the training heat flux data set was generated by FEM simulations with different thermal loop schedules. Then, both shallow learning models (i.e., multivariate linear regression and eXtreme Gradient Boost, or XGBoost) and a deep learning model (i.e., deep neural network, or DNN) were trained to predict the heat fluxes. Domain knowledge was used for data preprocessing and feature selection. Finally, the suitability of the selected machine learning model was tested under different thermal loop schedules. Herein, the case study results showed that: (1) XGBoost can be as accurate as DNN (coefficient of determination equal to 0.81) with much less training time; (2) the annual energy cost savings for different thermal loop schedules obtained by the XGBoost-predicted and FEM-calculated heat fluxes are consistent, having a difference of only 4%; and (3) XGBoost can reduce the computation time for the annual energy analysis of the case study building with a given thermal loop schedule from around 12 h by using FEM to less than 1 min.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Post-Disturbance Dynamic Distribution System Restoration with DGs and Mobile Resources

Distributed generations (DGs) can act as emergency power supplies when distribution systems suffer from outages. However, the generation capabilities of DGs are generally limited by a number of factors including weather conditions, fuel limitations, etc. In this context, mobile resources that are able to reallocate resources to desired locations are regarded as important complements to conventional fixed DGs in assisting distribution system restoration. In this paper, a distribution system restoration model with DGs and mobile resources is proposed. Firstly, the dispatch and allocation of mobile resources are modeled with respect to the characteristics of the traffic network. Then the developed mobile resource models are integrated into the distribution system restoration model to co-optimize the scheduling of DGs and mobile resources. Uncertainty factors are managed by a model predictive control approach so that system operators can dynamically adjust the restoration strategy with the up-to-date information. The effectiveness of the proposed method is validated through an IEEE 13-bus test system.

distributed generations (DGs)↗