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DOE OSTI2026

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↗

DOE OSTI2023

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↗

DOE OSTI2023

Variational actor-critic algorithms,

We introduce a class of variational actor-critic algorithms based on a variational formulation over both the value function and the policy. The objective function of the variational formulation consists of two parts: one for maximizing the value function and the other for minimizing the Bellman residual. Besides the vanilla gradient descent with both the value function and the policy updates, we propose two variants, the clipping method and the flipping method, in order to speed up the convergence. We also prove that, when the prefactor of the Bellman residual is sufficiently large, the fixed point of the algorithm is close to the optimal policy.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

K-Spin Hamiltonian for Quantum-Resolvable Markov Decision Processes

The Markov decision process is the mathematical formalization underlying the modern field of reinforcement learning when transition and reward functions are unknown. We derive a pseudo-Boolean cost function that is equivalent to a K-spin Hamiltonian representation of the discrete, finite, discounted Markov decision process with infinite horizon. This K-spin Hamiltonian furnishes a starting point from which to solve for an optimal policy using heuristic quantum algorithms such as adiabatic quantum annealing and the quantum approximate optimization algorithm on near-term quantum hardware. In arguing that the variational minimization of our Hamiltonian is approximately equivalent to the Bellman optimality condition for a prevalent class of environments we establish an interesting analogy with classical field theory. Along with proof-of-concept calculations to corroborate our formulation by simulated and quantum annealing against classical Q-Learning, we analyze the scaling of physical resources required to solve our Hamiltonian on quantum hardware.

Hamiltonian↗

DOE OSTI2025

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↗

DOE OSTI2022

The Policy Mullet: Good Intentions in the Front, Bad Policy in the Back

To achieve important policy goals like decarbonization, energy efficiency, and social justice, it is important to translate high-level policy into operational practice. Establishing sustainable purchasing goals has been one important part of this translation. However, not all sustainable purchasing policies are equally effective for organizations. In this study, we analyze sustainable purchasing policies collected from 30 public-sector organizations. We discuss a theoretical framework of optimal policy language and use that framework to evaluate the policies we collected. We believe that an ideal sustainable purchasing policy can increase the likelihood of implementation success by providing more product-specific guidance, giving authority to procurement staff, setting performance targets, and requiring reporting to account for progress. In our review of public sector sustainable purchasing policies, we found that policy language is less than ideal when measured against the framework. Based on our findings, we highlight the best practice language organizations can use in their sustainable purchasing policies to meet sustainability goals. While there is more work needed to inform best practices with sustainable purchasing policies, we recommend that organizations utilize existing frameworks when developing a sustainable purchasing policy to encourage better implementation.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRSDate not supplied

Exploring the Low-Thrust Transfer Design Space in an Ephemeris Model via Multi-Objective Reinforcement Learning

Multi-Reward Proximal Policy Optimization (MRPPO) is a multi-objective reinforcement learning algorithm used to train multiple policies to uncover solutions within a multi-objective solution space. MRPPO is used in this paper to train policies to construct low-thrust transfers for a SmallSat from the vicinity of !2 to an !5 short period orbit in the Sun-Earth-Moon system. First, the policies are trained in this scenario in the circular restricted three-body problem. This information is used to initialize the policies before training in a higher-fidelity ephemeris model; a process known as transfer learning. The recovered segments of the solution space will be compared to fundamental dynamical structures to both examine the results of MRPPO in this complex design scenario and explore the effectiveness of transfer learning.

Christopher J Sullivan↗

NASA NTRSDate not supplied

Exploring the Low-Thrust Transfer Design Space in an Ephemeris Model via Multi-Objective Reinforcement Learning

Multi-Reward Proximal Policy Optimization (MRPPO) is a multi-objective reinforcement learning algorithm used to train multiple policies to uncover solutions within a multi-objective solution space. MRPPO is used in this paper to train policies to construct low-thrust transfers for a SmallSat from the vicinity of L2 to an L5 short period orbit in the Sun-Earth-Moon system. First, the policies are trained in this scenario in the circular restricted three-body problem. This information is used to initialize the policies before training in a higher-fidelity ephemeris model; a process known as transfer learning. The recovered segments of the solution space will be compared to fundamental dynamical structures to both examine the results of MRPPO in this complex design scenario and explore the effectiveness of transfer learning.

Christopher J. Sullivan↗

NASA NTRS2022

Exploring the Low-Thrust Transfer Design Space in an Ephemeris Model via Multi-Objective Reinforcement Learning

Multi-Reward Proximal Policy Optimization (MRPPO) is a multi-objective reinforcement learning algorithm used to train multiple policies to uncover solutions within a multi-objective solution space. MRPPO is used in this paper to train policies to construct low-thrust transfers for a SmallSat from the vicinity of 𝐿2 to an 𝐿5 short period orbit in the Sun-Earth-Moon system. First, the policies are trained in this scenario in the circular restricted three-body problem. This information is used to initialize the policies before training in a higher-fidelity ephemeris model; a process known as transfer learning. The recovered segments of the solution space will be compared to fundamental dynamical structures to both examine the results of MRPPO in this complex design scenario and explore the effectiveness of transfer learning.

Mashiku, Alinda K.↗

NASA NTRS1978

Optimal analytic rendezvous using Clohessy-Wiltshire equations

The optimal solution time that minimizes the sum of the two applied impulses necessary to rendezvous is obtained analytically for the Clohessy-Wiltshire equations with a linear gravity model assumption. A plume impingement inequality constraint on the solution is examined, and an optimal policy is developed. Numerical tests are conducted to verify the analysis and to illustrate the optimal solution algorithm.

Jezewski, D. J.↗

NASA NTRS1979

An analytic approach to optimal rendezvous using Clohessy-Wiltshire equations

An analytic approach is used to obtain the optimal solution time that minimizes the sum of the two applied impulses necessary to rendezvous for the Clohessy-Wiltshire equations. A plume impingement inequality constraint on the solution is examined, and an optimal policy is developed. Numerical tests are conducted to verify the analysis and to illustrate the optimal solution algorithm.

Jezewski, D. J.↗

DOE OSTI2025

GEPA: Reflective Prompt Evolution Can Outperform Reinforcement Learning

Large language models (LLMs) are increasingly adapted to downstream tasks via reinforcement learning (RL) methods like Group Relative Policy Optimization (GRPO), which often require thousands of rollouts to learn new tasks. We argue that the interpretable nature of language often provides a much richer learning medium for LLMs, compared to policy gradients derived from sparse, scalar rewards. To test this, we introduce GEPA (Genetic-Pareto), a prompt optimizer that thoroughly incorporates natural language reflection to learn high-level rules from trial and error. Given any AI system containing one or more LLM prompts, GEPA samples trajectories (e.g., reasoning, tool calls, and tool outputs) and reflects on them in natural language to diagnose problems, propose and test prompt updates, and combine complementary lessons from the Pareto frontier of its own attempts. As a result of GEPA's design, it can often turn even just a few rollouts into a large quality gain. Across six tasks, GEPA outperforms GRPO by 6% on average and by up to 20%, while using up to 35x fewer rollouts. GEPA also outperforms the leading prompt optimizer, MIPROv2, by over 10% (e.g., +12% accuracy on AIME-2025), and demonstrates promising results as an inference-time search strategy for code optimization. We release our code at https://github.com/gepa-ai/gepa.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1986

An optimal repartitioning decision policy

A central problem to parallel processing is the determination of an effective partitioning of workload to processors. The effectiveness of any given partition is dependent on the stochastic nature of the workload. The problem of determining when and if the stochastic behavior of the workload has changed enough to warrant the calculation of a new partition is treated. The problem is modeled as a Markov decision process, and an optimal decision policy is derived. Quantification of this policy is usually intractable. A heuristic policy which performs nearly optimally is investigated empirically. The results suggest that the detection of change is the predominant issue in this problem.

Nicol, D. M.↗

DOE OSTI2024

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↗

DOE OSTI2022

Soft Actor Critic Based Volt-VAR Co-optimization in Active Distribution Grids

Modern distribution networks are undergoing several technical challenges, such as voltage fluctuations, because of high penetration of distributed energy resources (DERs). This paper proposes a deep reinforcement learning (DRL)-based Volt VAR co-optimization technique for reducing voltage fluctuations as well as power loss under high penetration of DERs. In addition, the proposed approach minimizes the operational cost of the grid. A stochastic policy optimization based soft actor critic (SAC) agent is proposed to configure the optimal set-points of the reactive power outputs of the inverters. The performance of the proposed model is verified on the modified IEEE 34- and 123-bus systems and compared with a base case scenario with no reactive supply by inverters, and a local droop control approach. The results demonstrate that the proposed framework outperforms the conventional droop control method in improving the voltage profile, minimizing the network power loss, and reducing grid operational cost.

—Distribution grids, deep reinforcement learning, ↗

DOE OSTI2020

Constrained Deep Reinforcement Learning for Energy Sustainable Multi-UAV Based Random Access IoT Networks With NOMA

In this paper, we apply the Non-Orthogonal Multiple Access (NOMA) technique to improve the massive channel access of a wireless IoT network where solar-powered Unmanned Aerial Vehicles (UAVs) relay data from IoT devices to remote servers. Specifically, IoT devices contend for accessing the shared wireless channel using an adaptive p-persistent slotted Aloha protocol; and the solar-powered UAVs adopt Successive Interference Cancellation (SIC) to decode multiple received data from IoT devices to improve access efficiency. To enable an energy-sustainable capacity-optimal network, we study the joint problem of dynamic multi-UAV altitude control and multi-cell wireless channel access management of IoT devices as a stochastic control problem with multiple energy constraints. We first formulate this problem as a Constrained Markov Decision Process (CMDP), and propose an online model-free Constrained Deep Reinforcement Learning (CDRL) algorithm based on Lagrangian primal-dual policy optimization to solve the CMDP. Extensive simulations demonstrate that our proposed algorithm learns a cooperative policy in which the altitude of UAVs and channel access probability of IoT devices are dynamically controlled to attain the maximal long-term network capacity while ensuring energy sustainability of UAVs, outperforming baseline schemes. The proposed CDRL agent can be trained on a small network, yet the learned policy can efficiently manage networks with a massive number of IoT devices and varying initial states, which can amortize the cost of training the CDRL agent.

42 ENGINEERING↗

NASA NTRSDate not supplied

MULTI-OBJECTIVE REINFORCEMENT LEARNING FOR LOW-THRUST TRANSFER DESIGN BETWEEN LIBRATION POINT ORBITS

Multi-Reward Proximal Policy Optimization (MRPPO) is a multi-objective reinforcement learning algorithm used to construct low-thrust transfers between periodic orbits in multi-body systems. Previous implementations of MRPPO have relied on a predefined reference transfer to successfully train each policy. In this paper, an algorithmic modification labeled the ‘moving reference’, is introduced to autonomously construct these reference trajectories during training. With this modification, MRPPO is used to recover various low-thrust transfers between two periodic orbits in the Earth-Moon circular restricted three-body problem to solve a multi-objective optimization problem. These results are then compared with the solutions recovered via a traditional optimization formulation.

algorithm↗

NASA NTRSDate not supplied

MULTI-OBJECTIVE REINFORCEMENT LEARNING FOR LOW-THRUST TRANSFER DESIGN BETWEEN LIBRATION POINT ORBITS

Christopher J. Sullivan↗