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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Evolutionary Optimization of a Quadrifilar Helical Antenna

Automated antenna synthesis via evolutionary design has recently garnered much attention in the research literature. Evolutionary algorithms show promise because, among search algorithms, they are able to effectively search large, unknown design spaces. NASA's Mars Odyssey spacecraft is due to reach final Martian orbit insertion in January, 2002. Onboard the spacecraft is a quadrifilar helical antenna that provides telecommunications in the UHF band with landed assets, such as robotic rovers. Each helix is driven by the same signal which is phase-delayed in 90 deg increments. A small ground plane is provided at the base. It is designed to operate in the frequency band of 400-438 MHz. Based on encouraging previous results in automated antenna design using evolutionary search, we wanted to see whether such techniques could improve upon Mars Odyssey antenna design. Specifically, a co-evolutionary genetic algorithm is applied to optimize the gain and size of the quadrifilar helical antenna. The optimization was performed in-situ in the presence of a neighboring spacecraft structure. On the spacecraft, a large aluminum fuel tank is adjacent to the antenna. Since this fuel tank can dramatically affect the antenna's performance, we leave it to the evolutionary process to see if it can exploit the fuel tank's properties advantageously. Optimizing in the presence of surrounding structures would be quite difficult for human antenna designers, and thus the actual antenna was designed for free space (with a small ground plane). In fact, when flying on the spacecraft, surrounding structures that are moveable (e.g., solar panels) may be moved during the mission in order to improve the antenna's performance.

Lohn, Jason D.↗
DOE OSTI2025

Enabling Real-Time Communication in Multi-Agent Systems: A Graph Neural Network Based Approach

Global connectivity enables effective coordination in Multi-Agent Systems (MAS). Solving these connection problems under hardware constraints is an NP-hard non-Euclidean Degree Constrained Minimum Spanning Tree (DCMST) problem. Prior MAS controllers coordinate team movement for task completion and collision avoidance; some considering Line-of-Sight (LOS) maintenance but prioritizing flexibility over guarantees. Evolutionary Algorithms (EA) have been shown to find good solutions for DCMST, but their performance degrades with larger populations required to support a large MAS. We present a method based on edge graph attention networks, trained offline to reduce online computation times. Empirical comparisons with greedy polynomial-time solvers and EA show that our method leverages latent graph information to consistently find constraint-satisfying solutions in less time.

connectivity maintenance↗
NASA NTRS2002

Turbomachinery Airfoil Design Optimization Using Differential Evolution

An aerodynamic design optimization procedure that is based on a evolutionary algorithm known at Differential Evolution is described. Differential Evolution is a simple, fast, and robust evolutionary strategy that has been proven effective in determining the global optimum for several difficult optimization problems, including highly nonlinear systems with discontinuities and multiple local optima. The method is combined with a Navier-Stokes solver that evaluates the various intermediate designs and provides inputs to the optimization procedure. An efficient constraint handling mechanism is also incorporated. Results are presented for the inverse design of a turbine airfoil from a modern jet engine. The capability of the method to search large design spaces and obtain the optimal airfoils in an automatic fashion is demonstrated. Substantial reductions in the overall computing time requirements are achieved by using the algorithm in conjunction with neural networks.

Madavan, Nateri K.↗
NASA NTRS2002

Turbomachinery Airfoil Design Optimization Using Differential Evolution

An aerodynamic design optimization procedure that is based on a evolutionary algorithm known at Differential Evolution is described. Differential Evolution is a simple, fast, and robust evolutionary strategy that has been proven effective in determining the global optimum for several difficult optimization problems, including highly nonlinear systems with discontinuities and multiple local optima. The method is combined with a Navier-Stokes solver that evaluates the various intermediate designs and provides inputs to the optimization procedure. An efficient constraint handling mechanism is also incorporated. Results are presented for the inverse design of a turbine airfoil from a modern jet engine and compared to earlier methods. The capability of the method to search large design spaces and obtain the optimal airfoils in an automatic fashion is demonstrated. Substantial reductions in the overall computing time requirements are achieved by using the algorithm in conjunction with neural networks.

Madavan, Nateri K.↗
DOE OSTI2026

EvoDiffMol: evolutionary diffusion framework for 3D molecular design with optimized properties

Designing molecules with specific target properties remains a fundamental challenge in computational chemistry. While existing approaches show promise, most rely on simplified representations like SMILES strings or 2D graphs that lack essential three-dimensional geometric information. We present EvoDiffMol, a computational framework that integrates evolutionary algorithms with three-dimensional diffusion models for property-driven molecular generation. The method operates through adaptive evolutionary optimization, where population-based selection guides the generation process toward desired property landscapes. EvoDiffMol supports both unconstrained molecular design and scaffold-constrained generation that preserves fixed substructures while optimizing complementary regions. Comprehensive evaluation demonstrates exceptional performance, achieving the highest drug-likeness score (0.94) among all compared state-of-the-art methods while maintaining excellent validity, uniqueness, and novelty. Beyond single property optimization, the framework demonstrates flexible multi-property optimization capabilities, simultaneously controlling multiple molecular descriptors including synthetic accessibility, lipophilicity, topological polar surface area, and clinically relevant ADMET properties such as cardiotoxicity (hERG) and intestinal permeability (Caco-2). This adaptability spans from simple descriptors to practical pharmaceutical endpoints without requiring complete model retraining. The framework achieves precise control over target property values, generating molecules with properties closely matching specified targets for both single and multiple descriptors. Scaffold-constrained experiments preserve fixed molecular cores while maintaining effective property optimization. The three-dimensional representation offers advantages in maintaining structural validity during iterative optimization, with potential for geometry-aware applications in materials science and drug discovery.

3D molecular generation↗
NASA NTRS2003

Aerodynamic Shape Optimization Using Hybridized Differential Evolution

An aerodynamic shape optimization method that uses an evolutionary algorithm known at Differential Evolution (DE) in conjunction with various hybridization strategies is described. DE is a simple and robust evolutionary strategy that has been proven effective in determining the global optimum for several difficult optimization problems. Various hybridization strategies for DE are explored, including the use of neural networks as well as traditional local search methods. A Navier-Stokes solver is used to evaluate the various intermediate designs and provide inputs to the hybrid DE optimizer. The method is implemented on distributed parallel computers so that new designs can be obtained within reasonable turnaround times. Results are presented for the inverse design of a turbine airfoil from a modern jet engine. (The final paper will include at least one other aerodynamic design application). The capability of the method to search large design spaces and obtain the optimal airfoils in an automatic fashion is demonstrated.

Madavan, Nateri K.↗
DOE OSTI2024

SNNVis: Visualizing Graph Embedding of Evolutionary Optimization for Spiking Neural Networks

While Spiking Neural Networks (SNNs) show a lot of promise, it is difficult to optimize them because applying traditional gradient-based optimization techniques is difficult. Even though evolutionary algorithms (EAs) have been shown to promise to optimize SNNs, understanding the relationship between evolving the characteristics of SNNs and their performance to improve the optimization algorithm is challenging because of the complex characteristics and huge population size. We propose visual analytics with novel graph embedding for evolutionary SNNs to address the challenges. While existing graph embedding techniques have limitations in preserving the specific features of the nodes and edges, our approach maintains them. Also, we develop visual analytics for understanding the relationship between the network performance and the features of nodes and edges and exploring and analyzing the evolving SNNs to build insights into improving the EA.

Chae, Junghoon [ORNL] (ORCID:0000000206016746)↗
NASA NTRS2011

Evolutionary Computational Methods for Identifying Emergent Behavior in Autonomous Systems

A technique based on Evolutionary Computational Methods (ECMs) was developed that allows for the automated optimization of complex computationally modeled systems, such as autonomous systems. The primary technology, which enables the ECM to find optimal solutions in complex search spaces, derives from evolutionary algorithms such as the genetic algorithm and differential evolution. These methods are based on biological processes, particularly genetics, and define an iterative process that evolves parameter sets into an optimum. Evolutionary computation is a method that operates on a population of existing computational-based engineering models (or simulators) and competes them using biologically inspired genetic operators on large parallel cluster computers. The result is the ability to automatically find design optimizations and trades, and thereby greatly amplify the role of the system engineer.

Terrile, Richard J.↗
NASA NTRSDate not supplied

Uncovering Hazards Using a Multi-Objective Optimization to Explore the Faulty State-Space

Considering resilience when designing complex engineered systems is crucial to ensure the system is safe under unexpected hazardous scenarios. Traditional risk-based approaches, such as Failure Modes and Effects Analysis (FMEA) are useful for designing the system to mitigate hazardous scenarios that can be identified by the designer, but often require experience or prior knowledge of system failures to generate. More recently, researchers have developed simulation tools that enable the designer to model large sets of hazardous scenarios (driven by both internal faults and external factors) through simulation. While these tools enable a wider scope of fault modes to be evaluated (e.g., by injecting combined set of fault modes or injecting modes at different times), the resulting assessments (like FMEA) still require knowledge of the specific modes to be evaluated. However, failure to analyze a wide variety of fault scenarios can lead to an incomplete picture of the system resilience, especially to "surprise events'' which may be difficult for the designer to identify and predict beforehand. To overcome this challenge, previous work developed a fault sampling approach for resilience simulations which would procedurally-generate a wide variety of potential faults by systematically perturbing the health states of the system. While the resulting fault modes generated covered a much larger space hazards than would be otherwise considered (and identified many unique failure trajectories which would not have otherwise been identified), it also significantly increased the computational cost of the analysis and resulted in the simulation and analysis of a large set of essentially duplicate scenarios. Additionally, as the number of dimensions in the faulty state-space increases, the full elaboration of possible modes becomes computationally infeasible, justifying the use of a more targeted search. To resolve this limitation, this work proposes the use of a multiobjective optimization algorithm to search the health state space for potential fault modes that are both (1) hazardous and (2) unique. To solve this type of problem, this work proposes the use of a cooperative co-evolutionary algorithm. To demonstrate this approach, it will be applied to a model of an autonomous rover which uses line markings to navigate, focusing on potential hazards in the drive system which could cause the rover to crash. To determine the merit of the approach, it will further be compared with the previously-presented range elaboration approach and a random mode generation approach on the basis of computational efficiency and found modes.

Resilience↗
NASA NTRS2005

Evolutionary Computing for Low-thrust Navigation

The development of new mission concepts requires efficient methodologies to analyze, design and simulate the concepts before implementation. New mission concepts are increasingly considering the use of ion thrusters for fuel-efficient navigation in deep space. This paper presents parallel, evolutionary computing methods to design trajectories of spacecraft propelled by ion thrusters and to assess the trade-off between delivered payload mass and required flight time. The developed methods utilize a distributed computing environment in order to speed up computation, and use evolutionary algorithms to find globally Pareto-optimal solutions. The methods are coupled with two main traditional trajectory design approaches, which are called direct and indirect. In the direct approach, thrust control is discretized in either arc time or arc length, and the resulting discrete thrust vectors are optimized. In the indirect approach, a thrust control problem is transformed into a costate control problem, and the initial values of the costate vector are optimized. The developed methods are applied to two problems: 1) an orbit transfer around the Earth and 2) a transfer between two distance retrograde orbits around Europa, the closest to Jupiter of the icy Galilean moons. The optimal solutions found with the present methods are comparable to other state-of-the-art trajectory optimizers and to analytical approximations for optimal transfers, while the required computational time is several orders of magnitude shorter than other optimizers thanks to an intelligent design of control vector discretization, advanced algorithmic parameterization, and parallel computing.

optimization↗
NASA NTRS2014

An Optimizing Space Data-Communications Scheduling Method and Algorithm with Interference Mitigation, Generalized for a Broad Class of Optimization Problems

NASA's space data-communications infrastructure-the Space Network and the Ground Network-provide scheduled (as well as some limited types of unscheduled) data-communications services to user spacecraft. The Space Network operates several orbiting geostationary platforms (the Tracking and Data Relay Satellite System (TDRSS)), each with its own servicedelivery antennas onboard. The Ground Network operates service-delivery antennas at ground stations located around the world. Together, these networks enable data transfer between user spacecraft and their mission control centers on Earth. Scheduling data-communications events for spacecraft that use the NASA communications infrastructure-the relay satellites and the ground stations-can be accomplished today with software having an operational heritage dating from the 1980s or earlier. An implementation of the scheduling methods and algorithms disclosed and formally specified herein will produce globally optimized schedules with not only optimized service delivery by the space data-communications infrastructure but also optimized satisfaction of all user requirements and prescribed constraints, including radio frequency interference (RFI) constraints. Evolutionary algorithms, a class of probabilistic strategies for searching large solution spaces, is the essential technology invoked and exploited in this disclosure. Also disclosed are secondary methods and algorithms for optimizing the execution efficiency of the schedule-generation algorithms themselves. The scheduling methods and algorithms as presented are adaptable to accommodate the complexity of scheduling the civilian and/or military data-communications infrastructure within the expected range of future users and space- or ground-based service-delivery assets. Finally, the problem itself, and the methods and algorithms, are generalized and specified formally. The generalized methods and algorithms are applicable to a very broad class of combinatorial-optimization problems that encompasses, among many others, the problem of generating optimal space-data communications schedules.

ground stations↗
NASA NTRS2006

Evolutionary Based Techniques for Fault Tolerant Field Programmable Gate Arrays

The use of SRAM-based Field Programmable Gate Arrays (FPGAs) is becoming more and more prevalent in space applications. Commercial-grade FPGAs are potentially susceptible to permanently debilitating Single-Event Latchups (SELs). Repair methods based on Evolutionary Algorithms may be applied to FPGA circuits to enable successful fault recovery. This paper presents the experimental results of applying such methods to repair four commonly used circuits (quadrature decoder, 3-by-3-bit multiplier, 3-by-3-bit adder, 440-7 decoder) into which a number of simulated faults have been introduced. The results suggest that evolutionary repair techniques can improve the process of fault recovery when used instead of or as a supplement to Triple Modular Redundancy (TMR), which is currently the predominant method for mitigating FPGA faults.

Larchev, Gregory V.↗
NASA NTRS2019

A Mixed Integer Efficient Global Optimization Algorithm with Multiple Infill Strategy - Applied to a Wing Topology Optimization Problem

With the advancement in high performance computing and numerical optimization techniques,engineering design optimization problems are becoming more complex, larger scale,higher fidelity, and computationally more demanding, requiring longer run times than ever before. There exists methodologies and techniques that can address some of these challenges but very few can address all, and most are limited in the extent that these concerns can be addressed. With the goal of addressing such challenging engineering problems, we developed anew optimization framework, named AMIEGO, that combines concepts from surrogate-based optimization approaches, gradient-based numerical methods, Partial Least Squares, evolutionary algorithms, and Branch-and-Bound, providing newer capabilities that were not previouslyperceived. However, the original version of this framework, in the process of adaptive samplingto explore and exploit the design space, finds only a single sample point per iteration. The efforthere builds upon this previously developed optimization framework to include multiple infillsampling capability that combines the concept of generalized expected improvement function,unsupervised learning, and multi-objective evolutionary technique. To demonstrate, AMIEGOwith the multiple infill capability (called AMIEGO-MIMOS) solves a series of increasingly difficultengineering design optimization problems. The results reveal the performance of the newapproach is problem dependent. When applied to a ten-bar truss problem, the newly proposedmultiple infill strategy consistently leads to a better design solutions when compared to theexisting CPTV method (implemented with the context of the AMIEGO framework). On theother hand, when applied to a mixed-integer high fidelity wing topology optimization problem- MIMOS, despite showing a steeper convergence at the start, eventually leads to an inferiorsolution as compared to CPTV approach. These results also reveal that a small number ofstarting points, in general, are sufficient to lead to a good overall solution.

Mixed-integer optimization↗
NASA NTRS1998

Toward Evolvable Hardware Chips: Experiments with a Programmable Transistor Array

Evolvable Hardware is reconfigurable hardware that self-configures under the control of an evolutionary algorithm. We search for a hardware configuration can be performed using software models or, faster and more accurate, directly in reconfigurable hardware. Several experiments have demonstrated the possibility to automatically synthesize both digital and analog circuits. The paper introduces an approach to automated synthesis of CMOS circuits, based on evolution on a Programmable Transistor Array (PTA). The approach is illustrated with a software experiment showing evolutionary synthesis of a circuit with a desired DC characteristic. A hardware implementation of a test PTA chip is then described, and the same evolutionary experiment is performed on the chip demonstrating circuit synthesis/self-configuration directly in hardware.

Stoica, Adrian↗
NASA NTRS2004

Using Generative Representations to Evolve Robots

Recent research has demonstrated the ability of evolutionary algorithms to automatically design both the physical structure and software controller of real physical robots. One of the challenges for these automated design systems is to improve their ability to scale to the high complexities found in real-world problems. Here we claim that for automated design systems to scale in complexity they must use a representation which allows for the hierarchical creation and reuse of modules, which we call a generative representation. Not only is the ability to reuse modules necessary for functional scalability, but it is also valuable for improving efficiency in testing and construction. We then describe an evolutionary design system with a generative representation capable of hierarchical modularity and demonstrate it for the design of locomoting robots in simulation. Finally, results from our experiments show that evolution with our generative representation produces better robots than those evolved with a non-generative representation.

Hornby, Gregory S.↗
DOE OSTI2025

A GPU‐Accelerated Generative Adversarial Model for Causal Inference

We develop a GPU-accelerated machine learning generative adversarial model designed to facilitate causal inferences from observational data. Our model's theoretical framework is conceptualized in a manner that is amenable to being operable and scalable for high-performance computing platforms. We leverage GPU acceleration to develop a parallel evolutionary algorithm to achieve large-scale parallel computation of the model within a now widely accessible computing platform. This capability both enhances computational speedup and efficiency and also extends the use of the model to a broader range of substantive research domains while maintaining the underlying theoretical properties of the model.

GPU↗
DOE OSTI2025

Multi-objective optimization of sustainable aviation fuel production pathways in the U.S. Corn Belt

As a potential source of low-carbon transportation energy, biofuels offer certain advantages over vehicle electrification (e.g., lower societal vulnerability to grid failures, and improved range of sustainable aviation), but also several challenges, including cost, carbon intensity, and land usage. There are also well-founded concerns that biofuel supply chains could be disrupted if extreme weather events impact feedstock yields. In this paper, we explore the use of multi-objective optimization to identify biofuel production pathways that balance cost, greenhouse gas emissions, and supply vulnerability to extreme weather. We compare the use of three different many-objective evolutionary algorithms and linear programming in optimizing biomass cultivation decisions in the U.S. Corn Belt under weather uncertainty using historical, modeled, and synthetic yield data. We consider four feedstock choices (corn, soy, switchgrass, and algae) with two land types (agricultural and marginal lands) and evaluate decisions using three alternative spatial resolutions (ranging from the USDA agricultural district level to the state level). Results show that feedstock choice is the primary driver of objective performance (i.e., the position and shape of 3D, approximate Pareto frontiers). Spatial diversification is a less effective tool in reducing exposure to weather-caused drops in crop yield.

09 BIOMASS FUELS↗
DOE OSTI2026

Artificial intelligence-driven approaches for materials design and discovery

Materials design is an important component of modern science and technology, yet traditional approaches rely heavily on trial and error and can be inefficient. Computational techniques, enhanced by modern artificial intelligence, have reshaped the landscape of designing new materials. Among these approaches, inverse design has shown great promise in designing materials that meet specific property requirements. Here, in this Review, we present key computational advances in materials design over the past few decades. We follow the evolution of relevant materials design techniques, from high-throughput forward machine learning methods and evolutionary algorithms, to advanced artificial intelligence strategies such as reinforcement learning and deep generative models. We highlight the paradigm shift from conventional screening approaches to inverse generation driven by deep generative models. Finally, we discuss current challenges and future perspectives of materials inverse design. This Review may serve as a brief guide to the approaches, progress and outlook of designing future functional materials with technological relevance.

computational methods↗