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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↗

Integrated path planning and control through proximal policy optimization for a marine current turbine

This paper presents an integrated path planning and tracking control framework for a marine current turbine (MCT), where the MCT is treated as an energy-harvesting autonomous underwater vehicle (AUV). Considering the ocean (space of action) is continuous, the proposed framework employs two modules to address path planning and path tracking enabled by the proximal policy optimization (PPO) algorithm, which is a policy gradient deep reinforcement learning (RL) method. Further, to enable fully autonomous operation in a stochastic oceanic environment, the proposed path planning seeks a primary objective of maximizing the harvested energy; then, the path tracking module is designed to minimize the tracking error and avoid collisions with static and dynamic obstacles. Using field-collected acoustic Doppler current profiler (ADCP) data, the performance of the proposed framework is evaluated. Comparative studies with baseline algorithms in three different scenarios of path planning, path tracking without an obstacle, and path tracking with collision avoidance verify the effectiveness of our proposed approach.

16 TIDAL AND WAVE POWER↗

Beyond PID Controllers: PPO with Neuralized PID Policy for Proton Beam Intensity Control in Mu2e

We introduce a novel Proximal Policy Optimization (PPO) algorithm aimed at addressing the challenge of maintaining a uniform proton beam intensity delivery in the Muon to Electron Conversion Experiment (Mu2e) at Fermi National Accelerator Laboratory (Fermilab). Our primary objective is to regulate the spill process to ensure a consistent intensity profile, with the ultimate goal of creating an automated controller capable of providing real-time feedback and calibration of the Spill Regulation System (SRS) parameters on a millisecond timescale. We treat the Mu2e accelerator system as a Markov Decision Process suitable for Reinforcement Learning (RL), utilizing PPO to reduce bias and enhance training stability. A key innovation in our approach is the integration of a neuralized Proportional-Integral-Derivative (PID) controller into the policy function, resulting in a significant improvement in the Spill Duty Factor (SDF) by 13.6%, surpassing the performance of the current PID controller baseline by an additional 1.6%. This paper presents the preliminary offline results based on a differentiable simulator of the Mu2e accelerator. It paves the groundwork for real-time implementations and applications, representing a crucial step towards automated proton beam intensity control for the Mu2e experiment.

43 PARTICLE ACCELERATORS↗

Interplanetary Low-Thrust Design Using Proximal Policy Optimization

This paper aims to demonstrate a reinforcement learning technique for developing complex, decision-making policies capable of planning interplanetary transfers.Using Proximal Policy Optimization (PPO), a neural network agent is trained to produce a closed-loop controller capable of transfers between Earth and Mars.The agent is trained in an environment that utilizes a medium fidelity solar electric propulsion model and a real ephemeris model of the Earth and Mars. The results are compared against those generated by the Evolutionary Mission Trajectory Generator (EMTG) tool.

proximal policy optimization↗

Deep reinforcement learning based optimization for a tightly coupled nuclear renewable integrated energy system

New ways to integrate energy systems to maximize efficiency are being sought to meet carbon emissions goals. Nuclear-renewable integrated energy system (NR-IES) concepts are a leading solution that couples a nuclear power plant with renewable energy, hydrogen generation plants, and energy storage systems, such that thermal and electrical power are dispatchable to fulfill grid-flexibility requirements while also producing hydrogen and maximizing revenue. Here, this paper introduces a deep reinforcement learning (DRL)-based framework to address the complex decision-making tasks for NR-IES. The objective is to maximize revenue by generating and selling hydrogen and electricity simultaneously according to their time-varying prices while keeping the energy flow in the subsystems in balance. A Python-based simulator for a NR-IES concept has been developed to integrate with OpenAI Gym and Ray/RLlib to enable an efficient and flexible computational framework for DRL research and development. Three state-of-the-art DRL algorithms have been investigated, including two-delayed deep deterministic policy gradient (TD3), soft-actor critic (SAC), proximal policy optimization (PPO), to illustrate DRL’s superiority for controlling NR-IES by comparing it with a conventional control approach, particle swarm optimization (PSO). In this effort, PPO has shown more-stable performance and also better generalization capability than SAC and TD3. Comparisons with PSO have demonstrated that, on average, PPO can achieve 13.9% more mean episode returns from the training process and 29.4% more mean episode returns from the testing process when different hydrogen-production targets are applied.

08 HYDROGEN↗

How good are learning-based control v.s. model-based control for load shifting? Investigations on a single zone building energy system

Both model predictive control (MPC) and deep reinforcement learning control (DRL) have been presented as a way to approximate the true optimality of a dynamic programming problem, and these two have shown significant operational cost saving potentials for building energy systems. Furthermore, there is still a lack of in-depth quantitative studies on their approximation levels to the true optimality, especially in the building energy domain. To fill in the gap, this paper provides a numerical framework that enables the evaluation of the optimality levels of different controllers for building energy systems. This framework is then used to comprehensively compare the optimal control performance of both MPC and DRL controllers with given computation budgets for a single zone fan coil unit system. Note the optimality is estimated based on a user-specific selection of trade-off weights among energy costs, thermal comfort and control slew rates. Compared with the best optimality we can find through expensive optimization simulations, the best DRL agent can maximally approximate the optimality by 96.54%, which outperforms the best MPC whose optimality level is 90.11%. However, due to the stochasticity, the DRL agent is only expected to approximate the optimality by 90.42%, which is almost equivalent to the best MPC. Except for Proximal Policy Optimization (PPO), all DRL agents can have a better approximation to the optimality than the best MPC, and are expected to have better approximation than the MPC with a prediction horizon of 32 steps (15 min per step). In terms of reducing energy cost and thermal discomfort, MPC can outperform the rule-based control (RBC) by 18.47%–25.44%. DRL can be expected to outperform RBC by 18.95%–25.65% ,and the best DRL control policy can outperform RBC by 20.29%–29.72%. Although the comparison of the optimality level is performed in a perfect setting, e.g., MPC assumes perfect models, and DRL assumes a perfect offline training process and online deployment process, this can shed insight on their capabilities of approximating to the original dynamic programming problem.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Design and optimization of a modular hydrogen-based integrated energy system to maximize revenue via nuclear-renewable sources

Here, this paper demonstrates a novel modular distributed framework that uses optimal energy-dispatching strategies to enable greater flexibility and profitability in nuclear-renewable integrated energy systems (NR-IES). Hydrogen is used as a commodity in this framework since its production can improve grid stability and system operational flexibility, decarbonize heavy industry, and create an additional revenue stream for electricity generators, particularly nuclear power plants with high operational expenses. The proposed solution addresses the challenges associated with merging multiple software and services from various domains by using functional mock-up units (FMU) to co-simulate diverse subsystems designed in various platforms. The tightly coupled integrated energy system (IES) is optimized to maximize revenue by utilizing the deep reinforcement learning (DRL) technique to make smart dispatching decisions based on variable electricity prices and the availability of renewable energy. Proximal policy optimization (PPO) algorithm is used in training and testing the DRL agent. Over a period of 120 days, the proposed hydrogen-based IES framework showed about 10% revenue boost compared to a non-hydrogen generating baseline IES while also providing an easily-adoptable framework which can help to improve the flexibility of future generation nuclear power plants.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

RLMolLM: Reinforcement Learning-Enhanced Language Model Framework for Inverse Molecular Design

Inverse molecular design faces significant challenges due to vast chemical space and complex property requirements. While language models show promise for molecular generation, they struggle with validity, multi-property optimization, and structural constraints. This work presents RLMolLM, a reinforcement learning framework combining Proximal Policy Optimization (PPO) with genetic algorithms to address these limitations. Our approach optimizes multiple user-specified properties including quantitative estimates of drug-likeness (QED), synthetic accessibility (SA), and ADMET (absorption, distribution, metabolism, excretion, and toxicity) endpoints without requiring complete model retraining, while maintaining capability for scaffold-constrained generation where specific substructures must be preserved. We outperform state-of-the-art methods for molecular optimization, achieving best QED scores across GDB13, Moses, and Zinc datasets with up to 31% improvement over previous methods while maintaining excellent validity, uniqueness, and novelty metrics. For simultaneous multi-property optimization, our framework achieves substantial improvements in ADMET properties including 4.5-fold reduction in hERG toxicity and enhanced Caco-2 permeability compared to Moses dataset. Under structural constraints, the framework significantly improves molecular validity while preserving scaffolds and effectively optimizing properties. In conclusion, this versatile solution advances pharmaceutical and materials molecular design through effective integration of reinforcement learning and genetic algorithms with multi-property optimization and scaffold preservation.

Genetic algorithms↗

A Reinforcement Learning Approach to Augment Conventional PID Control in Nuclear Power Plant Transient Operation

The ability of nuclear reactors to operate their power conversion cycles more flexibly will enhance their value to energy grids with variable pricing. Current nuclear control systems are typically classical controllers that are often based on proportional-integral-derivative (PID) control. This paper presents a method of augmenting the existing PID control for difficult transient operations in nuclear power plants using a reinforcement learning–derived feedforward signal applied in real time. The agents, which are trained on a test thermal load-following problem, are designed to improve steam generator outlet temperature control for a range of fast load-following scenarios covering ramp rates from 9%/min to 15%/min. Several reinforcement learning algorithms were initially investigated for the training of the feedforward agents with deep Q-learning (DQN) and proximal policy optimization (PPO) networks, which were found to be the most promising. The DQN controllers utilize discrete actions, giving them a better disturbance rejection at steady state but inconsistent response to initial temperature deviations. In contrast, PPO-trained agents, which take continuous actions except for a dead zone around zero, were shown to have the best combination of high disturbance rejection at steady state and good tracking of the desired temperature value. The ability of the PPO agent was also examined, with the average time of decision making found to be on the order of 1 ms. The fault properties of the controller under the loss of the reinforcement learning agent feedforward signal were also examined. The controller showed strong performance in situations of “no-signal” faults. but was less good at handling “stuck-at” faults, where the feedforward signal remains at a set value. In both cases, however, the PID was able to successfully maintain stability, eventually returning the system to a steady state. It is hoped that this work will allow for the proposed control architecture to be examined for more difficult control problems such that it may eventually be used to adapt existing nuclear plants for more aggressive load-following on grids of the future.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A Cyber-Physical System for Freeway Ramp Meter Signal Control Using Deep Reinforcement Learning in a Connected Environment

Freeway bottlenecks such as on-ramp merging areas account for about 40% of recurring freeway congestion. It is generally agreed that building more roads and adding more lanes to existing infrastructure does not solve the congestion problem, and so dynamic traffic control measures offer a more cost-effective alternative. Ramp meters, traffic signal devices that regulate traffic flow entering freeways, are among the most effective measures to mitigate congestion at on-ramp merging areas on freeways. The confluence of deep reinforcement learning (RL) and connectivity provides a possible solution to advance ramp meter signal control. Deep RL is a group of machine-learning methods that enables an agent learning from the environment to improve its performance. In this study, three deep RL methods-proximal policy optimization (PPO), Ape-X deep Q-network (DQN), and asynchronous advantage actor-critic agents (A3C)-are explored for ramp meter signal control to maximize vehicle speed and traffic throughput, as well as to minimize energy consumption and emissions at freeway on-ramp merging areas in a connected environment. The low computational requirement and scalability of deep RL for deployment make it a powerful optimization tool for time-sensitive applications such as ramp meter signal control. The results of this study show that deep RL methods yield superior performance to both a fixed-time controller and ALINE A, a state-of-the-art feedback controller.

ADVANCED PROPULSION SYSTEMS,MATHEMATICS AND COMPUT↗

Black-box optimization of CT acquisition and reconstruction parameters: a reinforcement learning approach

Protocol optimization is critical in Computed Tomography (CT) for achieving desired diagnostic image quality while minimizing radiation dose. Due to the inter-effect of influencing CT parameters, traditional optimization methods rely on the testing of exhaustive combinations of these parameters. This poses a notable limitation due to the impracticality of exhaustive parameter testing. This study introduces a novel methodology leveraging Virtual Imaging Trials (VITs) and reinforcement learning to more efficiently optimize CT protocols. Computational phantoms with liver lesions were imaged using a validated CT simulator and reconstructed with a novel CT reconstruction Toolkit. The optimization parameter space included tube voltage, tube current, reconstruction kernel, slice thickness, and pixel size. The optimization process was done using a Proximal Policy Optimization (PPO) agent which was trained to maximize the Detectability Index (d’) of the liver lesion for each reconstructed image. Results showed that our reinforcement learning approach found the absolute maximum d’ across the test cases while requiring 79.7% fewer steps compared to an exhaustive search, demonstrating both accuracy and computational efficiency, offering a efficient and robust framework for CT protocol optimization. The flexibility of the proposed technique allows for use of varying image quality metrics as the objective metric to maximize for. Our findings highlight the advantages of combining VIT and reinforcement learning for CT protocol management.

Fenwick, David [Duke University Medical Center]↗

PowerGridworld: A Framework for Multi-Agent Reinforcement Learning in Power Systems: Preprint

We present the PowerGridworld software package to provide users with a light-weight, modular, and customizable framework for creating power systems-focused, multi-agent gym environments that readily integrate with existing training frameworks for reinforcement learning (RL). While many frameworks exist for training multi-agent (MA) RL policies, none exist to rapidly prototype and develop the environments themselves, especially in the context of heterogeneous (composite, multi-device) power systems where power flow solutions are required to define grid-level variables and costs. PowerGridworld is an open-source software package that helps to fill this gap. To highlight PowerGridworld's key features, we present two case studies and demonstrate learning multi-agent RL policies using both OpenAI's MADDPG and RLLib's PPO algorithms where, in both cases, at least some subset of agents incorporate elements of the power flow solution at each time step as part of their reward (negative cost) structures.

MATHEMATICS AND COMPUTING↗

Reinforcement Learning Approach to Flight Control Allocation with Distributed Electric Propulsion

The flight control system of the SUSAN Electrofan concept aircraft achieves attitude control using both conventional flight control surfaces and differential thrust through distributed electric propulsion (DEP) from sixteen wing-mounted electric engines. The introduction of eight pairs of wing fans for attitude control creates a highly actuated system. Such a system requires more sophisticated control to operate, especially in the presence of wingfan failures where the loss of a single wingfan can result in a thrust imbalance. This paper investigates the use of deep reinforcement learning (RL) using proximal policy optimization (PPO) to achieve attitude control through a combination of DEP and control surface deflections. First, the paper examines the aircraft undergoing a coordinated turn. Then, it examines the aircraft experiencing a wingfan failure during cruise conditions. It is shown that deep reinforcement learning can be a potential avenue for nonlinear flight control design.

Distributed Electric Propulsion↗

A Physics-Informed Reinforcement Learning Framework for Economic-Thermal Co-Optimization of Crypto Mining Data Centers: Preprint

The rapid expansion of cryptocurrency mining has created a new class of high-density data centers characterized by extreme thermal flux and high sensitivity to volatile economic markets. Traditional thermal management strategies, typically reliant on rule-based control, maintain static setpoints that fail to account for fluctuating electricity prices and cryptocurrency values - factors critical to mining profitability. To address this, we present a physics-informed reinforcement learning (PIRL) framework for economic-thermal co-optimization in crypto mining data centers. This framework consists of a proximal policy optimization (PPO) agent, a virtual testbed powered by high-fidelity physics-based models, and an interactive frontend dashboard. The PPO agent is trained using the virtual testbed and strict hardware safety limits. This physics-informed approach allows the agent to learn a stochastic policy that dynamically balances mining revenue against operational costs by co-optimizing HVAC cooling setpoints and IT computational hashrate. The simulation results demonstrate that the integrated framework achieved an 8.62% increase in net operational profit compared to traditional baseline strategies while strictly adhering to safety-critical temperature constraints (coolant supply temperature < 32 degrees C). This work provides a scalable template for the deployment of reinforcement learning in mission critical facilities where economic volatility and physical safety must be managed simultaneously.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

PPO And Friends

PPO and Friends (PPOAF) is a pytorch implementation of proximal policy optimization for single- and multi-agent reinforcement learning (the PPO), along with several optimizations and add-ons (the Friends) to enable efficient MPI-parallelized model training on HPC clusters.

Maguire, AlisterO↗