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At least 307 records · Page 17

Real World Applications of AI/ML in Optimizing Airspace Operations

As National Airspace System (NAS) is going through the Digital Transformation journey, data science and analytics methods can significantly contribute to improving the traditional physics-based decision-making tools. The adoption of AI/ML methods will not only help accelerate Federal Aviation Administration (FAA)’s vision of Info-centric NAS but also contribute to the overall objective of sustainable aviation. AI/ML can improve the ground and airspace operations by enhancing the accuracy of current decision-making tools used by the airlines and the FAA to manage traffic on the ground and in the air. Huge amount of data that gets collected during a flight. AI/ML methods can extract information from this data and provide valuable insights to make better operational decisions. NASA has partnered with the FAA and commercial airlines such as American and Southwest Airlines on this effort and has successfully demonstrated the benefits of using ML in real world environment by reducing delays and optimizing ground operations at the US airports. In 2022 itself, NASA demonstrated real-world benefits (over 24K lbs. of fuel savings, over 76.6K lbs. CO2 emission savings, and several hours of delay savings) by deploying ML based prediction models to optimize ground operations at Dallas/Fort Worth International and Dallas Love Field Airports in Texas. These tools are being deployed on the cloud for broader deployment, adaptability, and scalability. NASA is developed a reference implementation of the cloud-based platform to significantly lower the bar to development and distribution of these digital services for aviation. In this talk, I will share information about the Digital Information Platform project, the novel AI/ML based approaches used for optimizing ground operations and the opportunities to partner with NASA on these demonstrations.

air traffic management↗

Expert systems for adaptive control of large space structures

It is expected that space systems for the future will evolve to structures of unprecedented size with associated extreme control requirements. A method is necessary that is sufficiently general to initiate stable control of a vehicle and subsequently learn the true nature of the structure. It is suggested that a suitable constructed expert system (ES) would be capable of learning by appending observations to a knowledge base. To verify that an ES can control a large space structure, numerical simulations of a simple structure subjected to periodic vibrations and the performance of a classical controllers were performed. The ES was then exercised to show its ability to truthfully mimic nominal control and to demonstrate its superiority to the classical controller, given sensor failures. An ES generating software package, The Intelligent Machine Model, was employed. It uses the pattern matching technique. Results of this program are discussed.

Gartrell, Charles F.↗

Optimizing inference of segmentation on high-resolution images in MLExchange

MLExchange is a machine learning (ML) operations platform providing web user-interfaces (UIs) for data visualization and analysis pipelines at synchrotron facilities. Among these UIs is the segmentation app which helps synchrotron users utilize ML algorithms to automatically segment high-resolution scientific images with minimal manual annotation effort. In this work, we share code optimizations that significantly speed up the segmentation inference workflow of large data in short time. By optimizing the sequence of CPU-GPU data transfers and introducing CPU parallelization to key operations, we improve the per-device, per-image frame computational efficiency and observe close to 3×$$\times$$ speedup over the original segmentation inference workflow run time when utilizing a single GPU. Further adaptations enabling multi-GPU inference yield more than 40×$$\times$$ speedup with 100 GPUs compared to the optimized single GPU inference workflow. This acceleration of the segmentation inference workflow will provide MLExchange users with easy access to segmentation results with little wait time.

Lu, Shizhao↗

Investigating explainable transfer learning for battery lifetime prediction under state transitions

Battery lifetime prediction at early cycles is crucial for researchers and manufacturers to examine product quality and promote technology development. Machine learning has been widely utilized to construct data-driven solutions for high-accuracy predictions. However, the internal mechanisms of batteries are sensitive to many factors, such as charging/discharging protocols, manufacturing/storage conditions, and usage patterns. These factors will induce state transitions, thereby decreasing the prediction accuracy of data-driven approaches. Transfer learning is a promising technique that overcomes this difficulty and achieves accurate predictions by jointly utilizing information from various sources. Hence, we develop two transfer learning methods, Bayesian Model Fusion and Weighted Orthogonal Matching Pursuit, to strategically combine prior knowledge with limited information from the target dataset to achieve superior prediction performance. From our results, our transfer learning methods reduce root-mean-squared error by 41% through adapting to the target domain. Furthermore, the transfer learning strategies identify the variations of impactful features across different sets of batteries and therefore disentangle the battery degradation mechanisms and the root cause of state transitions from the perspective of data mining. These findings suggest that the transfer learning strategies proposed in our work are capable of acquiring knowledge across multiple data sources for solving specialized issues.

25 ENERGY STORAGE↗

Exploring electron-beam induced modifications of materials with machine-learning assisted high temporal resolution electron microscopy

Directed atomic fabrication using an aberration-corrected scanning transmission electron microscope (STEM) opens new pathways for atomic engineering of functional materials. In this approach, the electron beam is used to actively alter the atomic structure through electron beam induced irradiation processes. One of the impediments that has limited widespread use thus far has been the ability to understand the fundamental mechanisms of atomic transformation pathways at high spatiotemporal resolution. Here, we develop a workflow for obtaining and analyzing high-speed spiral scan STEM data, up to 100 fps, to track the atomic fabrication process during nanopore milling in monolayer MoS 2 . An automated feedback-controlled electron beam positioning system combined with deep convolution neural network (DCNN) was used to decipher fast but low signal-to-noise datasets and classify time-resolved atom positions and nature of their evolving atomic defect configurations. Through this automated decoding, the initial atomic disordering and reordering processes leading to nanopore formation was able to be studied across various timescales. Using these experimental workflows a greater degree of speed and information can be extracted from small datasets without compromising spatial resolution. This approach can be adapted to other 2D materials systems to gain further insights into the defect formation necessary to inform future automated fabrication techniques utilizing the STEM electron beam.

36 MATERIALS SCIENCE↗

Machine-Learning-Based Mapping and Modeling of Solar Energy with Ultra-High Spatiotemporal Granularity

Despite the rapid growth of solar energy, we still lack a dynamic, high-fidelity database that tracks the spatiotemporal variations of solar PVs and their associated infrastructures across different places at a spatially resolved scale. The absence of such data presents a barrier to various applications such as solar PV growth projection, solar energy integration, solar incentive design, and climate risk assessment. In this project, we aim to bridge this gap by developing AI-based algorithms to extract granular information about solar PV installations and their associated infrastructures (i.e., distribution grids) from widely available unstructured data like remote sensing images and street views. As a result, we have built the Solar Energy Atlas, a fine-grained, large-scale geospatial overlay of distributed solar PVs and distribution grids. On top of it, we have advanced the understanding of solar adoption and distribution grid vulnerability to climate-induced extremes. Our major contributions can be summarized as follow: (1) By developing new AI algorithms, we have built the most comprehensive solar PV spatiotemporal database covering the entire US. This is the first time we obtained the exact GPS locations, size, subtype, and installation year information for rooftop solar PVs across the US. This database can be used for solar PV growth projection, solar energy integration, solar energy policy analysis and design, and spatially-resolved climate risk assessment. (2) Leveraging this database, we have uncovered the socioeconomic driving factors that are correlated with earlier onset of solar adoption and higher saturated adoption levels. We have identified the heterogeneity in the effects of different types of financial incentives on solar adoption and provided implications for tailoring incentive design based on local income levels to promote equitable solar adoption. (3) We have developed a distribution grid GIS mapping algorithm which can obtain granular geospatial and topology information about distribution grids using multi-modal open data, reducing the dependency on hard-to-obtain smart meter data of conventional approaches. It shows effectiveness in both the U.S. and Sub-Saharan Africa. Using this algorithm, we have uncovered the non-uniform vulnerability of distribution grids to wildfires in California in the aspects of undergrounding protection and Distributed Energy Resources (DER) preparedness. This has provided important implications for improving the affordability and equity of grid adaptation approaches. (3) We have made our produced database publicly available and provided user-friendly interface to enable various stakeholders and the general public to interact with the data. We have also integrated the produced data into the Data Commons platform to enable the public to access the data and correlate it with other location-specific characteristics simply using natural language as queries. The impact of our project is three-fold: (1) New algorithms for mapping solar PVs and distribution grids across space and time, which are open source to facilitate researchers and industry; (2) New databases of solar PVs and distribution grids that have been made publicly available for engineering, social, and policy applications; (3) New understandings and actionable insights on the potential approaches to promoting solar adoption and reducing energy infrastructure vulnerabilities. In this report, we start by discussing the project background and motivation (section 5), followed by the overview of project objectives (section 6). Results and discussion for each task are presented in section 7. Significant accomplishments are summarized in section 8. This report will be concluded by discussing the paths forwards (section 9), products (section 10), and team roles (section 11).

14 SOLAR ENERGY↗

Using Multi-Core Systems for Rover Autonomy

Task Objectives are: (1) Develop and demonstrate key capabilities for rover long-range science operations using multi-core computing, (a) Adapt three rover technologies to execute on SOA multi-core processor (b) Illustrate performance improvements achieved (c) Demonstrate adapted capabilities with rover hardware, (2) Targeting three high-level autonomy technologies (a) Two for onboard data analysis (b) One for onboard command sequencing/planning, (3) Technologies identified as enabling for future missions, (4)Benefits will be measured along several metrics: (a) Execution time / Power requirements (b) Number of data products processed per unit time (c) Solution quality

multi-core↗

Multi-Mission Terrain Classifier for Safe Rover Navigation and Automated Science

We previously presented Soil Property and Object Classification (SPOC), a machine learning-based terrain classifier for Mars rovers, for automatically segmenting rover images by its surface type such as sand and bedrock. This paper presents a number of practical improvements to pave the way for potential future onboard deployment. First, we achieved 97.0% overall pixel accuracy, evaluated against the classification generated by human experts on images from Mars Science Laboratory (MSL) missions. The substantial increase in accuracy was primarily enabled by the sheer volume of data used for training; we created a new large-scale dataset of Martian terrain labels, namely AI4Mars, which contains more than 400k labels contributed by citizen scientists for 50k images taken by the Mars Exploration Rovers (MER) and Mars Science Laboratory (MSL) rover. Second, we demonstrated that SPOC can quickly adapt to a new mission landed on a previously unseen site. Specifically, we pretrained a model with MER and MSL data from the AI4Mars dataset and then adapted to the Mars 2020 Rover (M2020) by feeding a small volume of data between Sol 0 and 157; the adapted model was tested on Sol 200-203 and resulted in 84.2% overall pixel accuracy and 93.4% reliability (recall) for detecting sand, the most concerning class for rover’s traversability. Third, we found that pretraining can substantially mitigate the decline of accuracy over time. We showed that the performance of a SPOC model pretrained with the ImageNet dataset and then trained by MSL images only up to Sol 390 remains comparable to a model trained by images up to Sol 1689 on the test data after Sol 1689. Fourth, we reimplemented SPOC with a light-weight convolutional neural network (CNN), MobileNetV2, which typically runs within tens of milliseconds (ms) on mobile processors such as Qualcomm’s Snapdragon. Finally, we released the AI4Mars dataset to the public to encourage open innovation.

Ono, Masahiro↗

Exploring Flooded Fraction Prediction through Machine Learning Models Focusing on Medical Infrastructure in the Southeast U.S. Coastal Areas

Rising sea levels due to climate change increasingly threaten medical infrastructure through flooding. This study develops machine learning models to predict flood exposure for 11,508 medical facilities in the southeastern coastal regions of the United States by integrating datasets including meteorological, hydrological, topographic, and geological data, the Natural Risk Index, and historical flood records from NASA, HIFLD, and FEMA. Six regression models, namely Linear Regression, Support Vector Regression, Random Forest, k-Nearest Neighbors, XGBoost, and Artificial Neural Networks, are trained using 16 explanatory variables identified through literature review and correlation analysis. Data preprocessing employs the SMOGN for class imbalance and Winsorization for outliers. Model performance is evaluated using MAE, MSE, and RMSE, with Random Forest and XGBoost models achieving the highest performance (MSE of 2.58e-5 and 3.69e-5, respectively). This multifactorial approach allows the models to capture complex flood-influencing relationships, enhancing adaptability and performance across geographic regions. Future work focuses on expanding across the U.S. and developing a near real-time flood monitoring system.

Jihoon Chung↗

Tradeoffs When Considering Deep Reinforcement Learning for Contingency Management in Advanced Air Mobility

Air transportation is undergoing a rapid evolution globally with the introduction of Advanced Air Mobility (AAM) and with it comes novel challenges and opportunities for transforming aviation. As AAM operations introduce increasing heterogeneity in vehicle capabilities and density, increased levels of automation are likely necessary to achieve operational safety and efficiency goals. This paper focuses on one example where increased automation has been suggested. Autonomous operations will need contingency management systems that can monitor evolving risk across a span of interrelated (or interdependent) hazards and, if necessary, execute appropriate control interventions via supervised or automated decision making. Accommodating this complex environment may require automated functions (autonomy) that apply artificial intelligence (AI) techniques that can adapt and respond to a quickly changing environment. This paper explores the use of Deep Reinforcement Learning (DRL) which has shown promising performance in complex and high-dimensional environments where the objective can be constructed as a sequential decision-making problem. An extension of a prior formulation of the contingency management problem as a Markov Decision Process (MDP) is presented and uses a DRL framework to train agents that mitigate hazards present in the simulation environment. A comparison of these learning-based agents and classical techniques is presented in terms of their performance, verification difficulties, and development process.

machine learning↗

Unsupervised multimodal fusion of in-process sensor data for advanced manufacturing process monitoring

Effective monitoring of manufacturing processes is crucial for maintaining product quality and operational efficiency. Modern manufacturing environments often generate vast amounts of complementary multimodal data, including visual imagery from various perspectives and resolutions, hyperspectral data, and machine health monitoring information such as actuator positions, accelerometer readings, and temperature measurements. However, fusing and interpreting this complex, high-dimensional data presents significant challenges, particularly when labeled datasets are unavailable or impractical to obtain. This paper presents a novel approach to multimodal sensor data fusion in manufacturing processes, inspired by the Contrastive Language-Image Pre-training (CLIP) model. We leverage contrastive learning techniques to correlate different data modalities without the need for labeled data, overcoming limitations of traditional supervised machine learning methods in manufacturing contexts. Our proposed method demonstrates the ability to handle and learn encoders for five distinct modalities: visual imagery, audio signals, laser position (x and y coordinates), and laser power measurements. By compressing these high-dimensional datasets into low-dimensional representational spaces, our approach facilitates downstream tasks such as process control, anomaly detection, and quality assurance. The unsupervised nature of our method makes it broadly applicable across various manufacturing domains, where large volumes of unlabeled sensor data are common. We evaluate the effectiveness of our approach through a series of experiments, demonstrating its potential to enhance process monitoring capabilities in advanced manufacturing systems. This research contributes to the field of smart manufacturing by providing a flexible, scalable framework for multimodal data fusion that can adapt to diverse manufacturing environments and sensor configurations. The proposed method paves the way for more robust, data-driven decision-making in complex manufacturing processes.

Contrastive Learning↗

Emerging anomaly detection techniques for electronic health records: A survey

Background Anomaly detection in electronic health records (EHRs) is a cornerstone of biomedical informatics, with direct implications for patient safety, clinical decision-making, and the prevention of healthcare fraud. Once guided primarily by simple rule-based methods, the field has advanced rapidly, driven by increased computing power, richer and more detailed health data, and the rise of machine learning and deep learning techniques. The objective of this paper is to provide a comprehensive overview of modern approaches to detecting anomalies in EHRs, outlining their strengths, limitations, and relevance to key healthcare challenges. We review traditional statistical methods alongside newer ML- and DL-based strategies and hybrid models, with particular attention to how these techniques support transparency and build clinical trust. Methods This paper presents a thorough and critical survey through systematic review (PRISMA-based) of the latest anomaly detection strategies in time-sequence data domains within electronic health record systems. Results We explore a broad spectrum of methodologies, including statistical models, supervised and unsupervised learning approaches, hybrid frameworks, and state-of-the-art ML-based techniques that collectively advance the precision and scalability of detecting anomalies in complex clinical datasets. In addition to mapping current capabilities, we address the enduring challenges that hinder widespread implementation and provide a forward-looking perspective on the future of anomaly detection in the data-rich landscape of modern healthcare. Summary The advancement in AI-based approaches is reported along with the basic principles of the individual approaches and their applicability. The increased availability of high-quality data, advancements in DL approaches, and enhanced computation power are leading to more frequent adaptation of DL-based approaches. Emerging DL-based approaches that have been adapted in other domains or recently applied in the EHR domain are also discussed in detail. Although DL-based approaches can improve model predictions by incorporating comorbidities, their application is limited in low-frequency data domains (e.g., when the total available data remains in the single digits). Therefore, the user must carefully consider the application based on data availability.

Anomaly detection↗

Predicting Airport Runway Configurations for Decision-Support Using Supervised Learning

One of the most challenging tasks for air traffic controllers is runway configuration management (RCM). It deals with the optimal selection of runways to operate on (for arrivals and departures) based on traffic, surface wind speed, wind direction, other environmental variables, noise constraints, and several other airport-specific factors. It affects the efficiency of the National Airspace System (NAS) and both surface and airspace operations can benefit from better understanding future runway configurations. In this paper, we present a comprehensive implementation of predictive models for runway configuration estimation from large volumes of historical data. Specifically, operational data from two full years (2018 and 2019) is collected, analyzed, and fused together to build the data product used in this work. The data set differs from prior work in the field in terms of its scope, resolution, and variety of factors collected and considered. Meteorological data is collected from two different sources – current weather conditions from METAR (Meteorological Terminal Aviation Routine Weather Report) and forecast weather conditions from Localized Aviation MOS Program (LAMP). Operational data from the Federal Aviation Administration (FAA) Aviation System Performance Metrics (ASPM) related to scheduled and actual number of arrivals and departures, average taxi times, etc. are collected. NASA’s Sherlock Data Warehouse is used to identify critical information such as go-arounds, and other events that might impact RCM decision-making. All data is collected and aggregated over 15-minute intervals throughout the two years. This provides a resolution like the timescales that might be necessary for runway configuration management decision-making. A variety of supervised learning algorithms are tested including Support Vector Machine, Random Forest, Gradient Boosting, etc. including tuning of the model hyperparameters. The modeling process is applied and presented on two representative U.S. airports – Charlotte Douglas International Airport (KCLT) and Denver International Airport (KDEN). The two airports present different levels of complexity in terms of the total number of configurations used and provide a balanced perspective on the generalizability of the developed approach to other airports in the NAS. Initial results are promising (F1 score of 0.91 at KCLT and 0.83 at KDEN) for data in the test set. The final paper will contain a comprehensive comparison between different models and model building strategies as well as further refined results. Most important predictors for each airport will be identified along with a discussion and recommendations on adapting the framework to other scenarios.

Tejas G Puranik↗

Tradeoffs When Considering Deep Reinforcement Learning for Contingency Management in Advanced Air Mobility

Air transportation is undergoing a rapid evolution globally with the introduction of Advanced Air Mobility (AAM) and with it comes novel challenges and opportunities for transforming aviation. As AAM operations introduce increasing heterogeneity in vehicle capabilities and density, increased levels of automation are likely necessary to achieve operational safety and efficiency goals. This paper focuses on one example where increased automation has been suggested. Autonomous operations will need contingency management systems that can monitor evolving risk across a span of interrelated (or interdependent) hazards and, if necessary, execute appropriate control interventions via supervised or automated decision making. Accommodating this complex environment may require automated functions (autonomy) that apply artificial intelligence (AI) techniques that can adapt and respond to a quickly changing environment. This paper explores the use of Deep Reinforcement Learning (DRL) which has shown promising performance in complex and high-dimensional environments where the objective can be constructed as a sequential decision-making problem. An extension of a prior formulation of the contingency management problem as a Markov Decision Process (MDP) is presented and uses a DRL framework to train agents that mitigate hazards present in the simulation environment. A comparison of these learning-based agents and classical techniques is presented in terms of their performance, verification difficulties, and development process.

machine learningautonomous systems; flight simulat↗

A Semi-Supervised Learning Method for the Identification of Bad Exposures in Large Imaging Surveys

As the data volume of astronomical imaging surveys rapidly increases, traditional methods for image anomaly detection, such as visual inspection by human experts, are becoming impractical. We introduce a machine-learning-based approach to detect poor-quality exposures in large imaging surveys, with a focus on the DECam Legacy Survey (DECaLS) in regions of low extinction (i.e., E ( B − V ) < 0.04 ). Our semi-supervised pipeline integrates a vision transformer (ViT), trained via self-supervised learning (SSL), with a k-Nearest Neighbor (kNN) classifier. We train and validate our pipeline using a small set of labeled exposures observed by surveys with the Dark Energy Camera (DECam). A clustering-space analysis of where our pipeline places images labeled in good and bad categories suggests that our approach can efficiently and accurately determine the quality of exposures. Applied to new imaging being reduced for DECaLS Data Release 11, our pipeline identifies 780 problematic exposures, which we subsequently verify through visual inspection. Being highly efficient and adaptable, our method offers a scalable solution for quality control in other large imaging surveys.

Luo, Yufeng (ORCID:0000000246230683)↗

FPGA-accelerated SpeckleNN with SNL for real-time X-ray single-particle imaging

We present the implementation of a specialized version of our previously published unified embedding model, SpeckleNN, for real-time speckle pattern classification in X-ray Single-Particle Imaging (SPI), using the SLAC Neural Network Library (SNL) on an FPGA platform. This hardware realization transitions SpeckleNN from a prototypic model into a practical edge solution, optimized for running inference near the detector in high-throughput X-ray free-electron laser (XFEL) facilities, such as those found at the Linac Coherent Light Source (LCLS). To address the resource constraints inherent in FPGAs, we developed a more specialized version of SpeckleNN. The original model, which was designed for broader classification across multiple biological samples, comprised ~5.6 million parameters. The new implementation, while reducing the parameter count to 64.6K (a 98.8% reduction), focuses on maintaining the model's essential functionality for real-time operation, achieving an accuracy of 90%. Furthermore, we compressed the latent space from 128 to 50 dimensions. This implementation was demonstrated on the KCU1500 FPGA board, utilizing 71% of available DSPs, 75% of LUTs, and 48% of FFs, with an average power consumption of 9.4W according to the Vivado post-implementation report. The FPGA performed inference on a single image with a latency of 45.015 microseconds at a 200 MHz clock rate. In comparison, running the same inference on an NVIDIA A100 GPU resulted in an average power consumption of ~73W and an image processing latency of around 400 microseconds. Our FPGA-accelerated version of SpeckleNN demonstrated significant improvements, achieving an 8.9 × speedup and a 7.8 × reduction in power consumption compared to the GPU implementation. Key advancements include model specialization and dynamic weight loading through SNL, which eliminates the need for time-consuming FPGA design re-synthesis, allowing fast and continuous deployment of models (re)trained online. These innovations enable real-time adaptive classification and efficient vetoing of speckle patterns, making SpeckleNN more suited for deployment in XFEL facilities. This implementation has the potential to significantly accelerate SPI experiments and enhance adaptability to evolving experimental conditions.

47 OTHER INSTRUMENTATION↗

Smart Congestion Control for Delay- and Disruption Tolerant Networks

In this paper, we propose a novel congestion control framework for delay- and disruption tolerant networks (DTNs). The proposed framework, called Smart-DTN-CC, adjusts its operation automatically as a function of the dynamics of the underlying network. It employs reinforcement learning, a machine learning technique known to be well suited to problems in which the environment, in this case the network, plays a crucial role; yet, no prior knowledge about the target environment can be assumed, i.e., the only way to acquire information about the environment is to interact with it through continuous online learning. Smart-DTN-CC nodes get input from the environment (e.g., its buffer occupancy, set of neighbors, etc), and, based on that information, choose an action to take from a set of possible actions. Depending on an action’s effectiveness in controlling congestion, it will be given a reward. Smart-DTN-CC’s goal is to maximize the overall reward which translates to minimizing congestion. To our knowledge, Smart-DTN-CC is the first DTN congestion control framework that has the ability to automatically and continuously adapt to the dynamics of the target environment which allows Smart-DTNCC to deliver adequate performance in a variety of DTN applications and scenarios. As demonstrated by our experimental evaluation, Smart-DTN-CC is able to consistently outperform existing DTN congestion control mechanisms under a wide range of network conditions and characteristics.

Hirata, Celso M.↗

Generative Models for Crystalline Materials

Understanding structure-property relationships in materials is fundamental in condensed matter physics and materials science. Over the past few years, machine learning (ML) has emerged as a powerful tool for advancing this understanding and accelerating materials discovery. Early ML approaches primarily focused on constructing and screening large material spaces to identify promising candidates for various applications. More recently, research efforts have increasingly shifted toward generating crystal structures using end-to-end generative models. This review analyzes the current state of generative modeling for crystal structure prediction and de novo generation. It examines crystal representations, outlines the generative models used to design crystal structures, and evaluates their respective strengths and limitations. Furthermore, the review highlights experimental considerations for evaluating generated structures and provides recommendations for suitable existing software tools. Emerging topics, such as modeling disorder and defects, integration in advanced characterization, incorporating synthetic feasibility constraints, and model explainability are explored. Ultimately, this work aims to inform both experimental scientists looking to adapt suitable ML models to their specific circumstances and ML specialists seeking to understand the unique challenges related to inverse materials design and discovery.

Metni, Houssam [Karlsruhe Inst. of Technology (KIT↗