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At least 55 records · Page 3

Enabling Modular Autonomous Feedback‐Loops in Materials Science through Hierarchical Experimental Laboratory Automation and Orchestration

Abstract Materials acceleration platforms (MAPs) operate on the paradigm of integrating combinatorial synthesis, high‐throughput characterization, automatic analysis, and machine learning. Within a MAP, one or multiple autonomous feedback loops may aim to optimize materials for certain functional properties or to generate new insights. The scope of a given experiment campaign is defined by the range of experiment and analysis actions that are integrated into the experiment framework. Herein, the authors present a method for integrating many actions within a hierarchical experimental laboratory automation and orchestration (HELAO) framework. They demonstrate the capability of orchestrating distributed research instruments that can incorporate data from experiments, simulations, and databases. HELAO interfaces laboratory hardware and software distributed across several computers and operating systems for executing experiments, data analysis, provenance tracking, and autonomous planning. Parallelization is an effective approach for accelerating knowledge generation provided that multiple instruments can be effectively coordinated, which the authors demonstrate with parallel electrochemistry experiments orchestrated by HELAO. Efficient implementation of autonomous research strategies requires device sharing, asynchronous multithreading, and full integration of data management in experimental orchestration, which to the best of the authors’ knowledge, is demonstrated for the first time herein.

36 MATERIALS SCIENCE↗

Mind the gap: Bridging the divide between AI aspirations and the reality of autonomous microscopy

What does materials science look like in the “Age of Artificial Intelligence?” Each material’s domain—synthesis, characterization, and modeling—has a different answer to this question, motivated by unique challenges and constraints. This work focuses on the tremendous potential of autonomous characterization within electron microscopy. We present our recent advancements in developing domain-aware, multimodal models for microscopy analysis capable of describing complex atomic systems. We then address the critical gap between the theoretical promise of autonomous microscopy and its current practical limitations, showcasing recent successes while highlighting the necessary developments to achieve robust, real-world autonomy.

2D materials↗

The Intelligent Data Understanding Element of NASA's Intelligent Systems Program

Within the NASA Intelligent Systems Program, the Intelligent Data Understanding (IDU) element develops techniques for transforming data into scientific understanding. Automating such tools is critical for space science, space-based earth science, and planetary exploration with onboard scientific data analysis. Intelligent data understanding (IDU) is about extracting meaning from large, diverse science and engineering databases, via autonomous techniques that transform very large datasets into understanding. The earth science community in particular needs new tools for analyzing multi-formatted and geographically distributed datasets and for identifying cause-effect relationships in the complex data. Research within the IDU program element seeks to automate data analysis tasks so that humans can focus on creative hypothesis generation and knowledge synthesis. It may also enable NASA space missions in which autonomous agents must generate knowledge and take actions, and missions where limited bandwidth permits transmission of only the most interesting scientific observations, summaries, and conclusions. Twenty-seven research projects are-currently funded.

Coughlan, Joseph C.↗

Proceedings of the First NASA Formal Methods Symposium

Topics covered include: Model Checking - My 27-Year Quest to Overcome the State Explosion Problem; Applying Formal Methods to NASA Projects: Transition from Research to Practice; TLA+: Whence, Wherefore, and Whither; Formal Methods Applications in Air Transportation; Theorem Proving in Intel Hardware Design; Building a Formal Model of a Human-Interactive System: Insights into the Integration of Formal Methods and Human Factors Engineering; Model Checking for Autonomic Systems Specified with ASSL; A Game-Theoretic Approach to Branching Time Abstract-Check-Refine Process; Software Model Checking Without Source Code; Generalized Abstract Symbolic Summaries; A Comparative Study of Randomized Constraint Solvers for Random-Symbolic Testing; Component-Oriented Behavior Extraction for Autonomic System Design; Automated Verification of Design Patterns with LePUS3; A Module Language for Typing by Contracts; From Goal-Oriented Requirements to Event-B Specifications; Introduction of Virtualization Technology to Multi-Process Model Checking; Comparing Techniques for Certified Static Analysis; Towards a Framework for Generating Tests to Satisfy Complex Code Coverage in Java Pathfinder; jFuzz: A Concolic Whitebox Fuzzer for Java; Machine-Checkable Timed CSP; Stochastic Formal Correctness of Numerical Algorithms; Deductive Verification of Cryptographic Software; Coloured Petri Net Refinement Specification and Correctness Proof with Coq; Modeling Guidelines for Code Generation in the Railway Signaling Context; Tactical Synthesis Of Efficient Global Search Algorithms; Towards Co-Engineering Communicating Autonomous Cyber-Physical Systems; and Formal Methods for Automated Diagnosis of Autosub 6000.

Denney, Ewen↗

GAHLS: an optimized graph analytics based high level synthesis framework

The urgent need for low latency, high-compute and low power on-board intelligence in autonomous systems, cyber-physical systems, robotics, edge computing, evolvable computing, and complex data science calls for determining the optimal amount and type of specialized hardware together with reconfigurability capabilities. With these goals in mind, we propose a novel comprehensive graph analytics based high level synthesis (GAHLS) framework that efficiently analyzes complex high level programs through a combined compiler-based approach and graph theoretic optimization and synthesizes them into message passing domain-specific accelerators. This GAHLS framework first constructs a compiler-assisted dependency graph (CaDG) from low level virtual machine (LLVM) intermediate representation (IR) of high level programs and converts it into a hardware friendly description representation. Next, the GAHLS framework performs a memory design space exploration while account for the identified computational properties from the CaDG and optimizing the system performance for higher bandwidth. The GAHLS framework also performs a robust optimization to identify the CaDG subgraphs with similar computational structures and aggregate them into intelligent processing clusters in order to optimize the usage of underlying hardware resources. Finally, the GAHLS framework synthesizes this compressed specialized CaDG into processing elements while optimizing the system performance and area metrics. Evaluations of the GAHLS framework on several real-life applications (e.g., deep learning, brain machine interfaces) demonstrate that it provides 14.27× performance improvements compared to state-of-the-art approaches such as LegUp 6.2.

97 MATHEMATICS AND COMPUTING↗

Reimagining metal-organic framework discovery: Integrating experiment, computation, and artificial intelligence

The traditional development of novel metal–organic frameworks (MOFs) is often hindered by challenges such as synthetic accessibility and time- and resource-intensive experimentation. High-throughput, automated experimental and computational techniques have enabled rapid chemical space exploration and theoretical MOF design. When combined with artificial intelligence (AI), these methods can be used to lead autonomous laboratories to new frontiers for MOF discovery, where these materials can be designed for a specific application, efficiently synthesized, characterized, and evaluated. Here, this perspective highlights the role of AI in advancing automated MOF synthesis and characterization, computational MOF design and screening, and the integration of these approaches within autonomous workflows to ultimately enable the MOF laboratories of the future.

Gaidimas, Madeleine A. [Northwestern University, E↗

Autonomous Electrochemistry Platform with Real-Time Normality Testing of Voltammetry Measurements Using ML

Electrochemistry workflows utilize various instruments and computing systems to execute workflows consisting of electrocatalyst synthesis, testing and evaluation tasks. The heterogeneity of the software and hardware of these ecosystems makes it challenging to orchestrate a complete workflow from production to characterization by automating its tasks. We propose an autonomous electrochemistry computing platform for a multi-site ecosystem that provides the services for remote experiment steering, real-time measurement transfer, and AI/ML-driven analytics. We describe the integration of a mobile robot and synthesis workstation into the ecosystem by developing custom hub-networks and software modules to support remote operations over the ecosystem’s wireless and wired networks. We describe a workflow task for generating I-V voltammetry measurements using a potentiostat, and a machine learning framework to ensure their normality by detecting abnormal conditions such as disconnected electrodes. We study a number of machine learning methods for the underlying detection problem, including smooth, non-smooth, structural and statistical methods, and their fusers. We present experimental results to illustrate the effectiveness of this platform, and also validate the proposed ML method by deriving its rigorous generalization equations.

Alnajjar, Anees↗

A Virtual Mission Operations Center: Collaborative Environment

The Virtual Mission Operations Center - Collaborative Environment (VMOC-CE) intent is to have a central access point for all the resources used in a collaborative mission operations environment to assist mission operators in communicating on-site and off-site in the investigation and resolution of anomalies. It is a framework that as a minimum incorporates online chat, realtime file sharing and remote application sharing components in one central location. The use of a collaborative environment in mission operations opens up the possibilities for a central framework for other project members to access and interact with mission operations staff remotely. The goal of the Virtual Mission Operations Center (VMOC) Project is to identify, develop, and infuse technology to enable mission control by on-call personnel in geographically dispersed locations. In order to achieve this goal, the following capabilities are needed: Autonomous mission control systems Automated systems to contact on-call personnel Synthesis and presentation of mission control status and history information Desktop tools for data and situation analysis Secure mechanism for remote collaboration commanding Collaborative environment for remote cooperative work The VMOC-CE is a collaborative environment that facilitates remote cooperative work. It is an application instance of the Virtual System Design Environment (VSDE), developed by NASA Goddard Space Flight Center's (GSFC) Systems Engineering Services & Advanced Concepts (SESAC) Branch. The VSDE is a web-based portal that includes a knowledge repository and collaborative environment to serve science and engineering teams in product development. It is a "one stop shop" for product design, providing users real-time access to product development data, engineering and management tools, and relevant design specifications and resources through the Internet. The initial focus of the VSDE has been to serve teams working in the early portion of the system/product lifecycle - concept development, proposal preparation, and formulation. The VMOC-CE expands the application of the VSDE into the operations portion of the system lifecycle. It will enable meaningful and real-time collaboration regardless of the geographical distribution of project team members. Team members will be able to interact in satellite operations, specifically for resolving anomalies, through access to a desktop computer and the Internet. Mission Operations Management will be able to participate and monitor up to the minute status of anomalies or other mission operations issues. In this paper we present the VMOC-CE project, system capabilities, and technologies.

Medina, Barbara↗

Autonomous Ocean World Exploration: Advancement of a Virtual Testbed

The search for life (extinct or extant) and potentially habitable bodies in our solar system and beyond is one of the 12 priority science questions outlined in the National Acadamies’ 2022 decadal survey [5]. Extraterrestrial destinations containing liquid water present an opportunity to search for life as we know it, and in recent years an increasing number of such locations have been discovered within our solar system. Several Jovian moons—Europa, Ganymede, and Callisto [10]—and the Saturnian moons Enceladus [8] and Titan [9] are known or suspected to harbor massive subsurface oceans. Of these "ocean worlds", Europa is the focus of at least one planned NASA orbiter mission, Europa Clipper [4], and an early lander mission concept, the Europa Lander [2, 3]. Whereas most robotic missions to the Moon and Mars (e.g. orbiters, rovers, landers) to date have had ground controllers on Earth tightly involved in mission operations, missions to more distant worlds will require a high degree of onboard autonomy due to long communication lags and blackouts, harsh environments (radiation, cold), and more limited battery and hardware life. The past decade has seen great advances in both AI technologies and computing scalability and performance that offer promising solutions for spacecraft autonomy and motivate the software system and research programs described in this paper. The Ocean Worlds Autonomy Testbed for Exploration, Research, and Simulation (OceanWATERS) [1], which has been in development at the NASA Ames Research Center since 2018, is a virtual environment for testing lander autonomy solutions. It is built on the Robot Operating System (ROS), runs on consumer-grade Linux workstations, and was released as open source in 2020. OceanWATERS provides a physical and visual simulation of a prototypical lander in a Europa-like environment (Figure 1). The lander was modeled after requirements and specifications made in JPL’s Europa Lander Study of 2016 [3]. Simulated lander systems include stereo cameras and spotlights mounted on an antenna mast that pans and tilts, a 6 degrees of freedom (DoF) robotic arm with a force-torque sensor and two interchangeable end effectors, and a battery pack power system. The environment consists of multiple terrain models including a highly detailed model sourced from the FROST dataset [11], simulation of surrounding planetary bodies based on an ephemeris model, and lighting from the sun with associated surface illumination, reflectance, and shadows. Operations supported by OceanWATERS include panoramic and directed imaging of the environment and lander workspace, Cartesian and joint-level arm commanding, grinding of the terrain surface (e.g. digging a trench), and scooping of ground material (Figure 2) which can be discarded or collected as science samples in a receptacle that can be emptied (science operations themselves are not simulated). These operations are realized as ROS Actions and are complimented by a wide selection of telemetry that is continually produced by each lander subsystem. The power system model is driven by the open-source Generic Software Architecture for Prognostics (GSAP) [11] that predicts the battery’s remaining useful life and other characteristics. As a testbed for high-level autonomy, OceanWATERS provides an execution framework based on PLEXIL [12], an open-source plan specification language and execution engine developed largely at Ames. NASA's initial development of OceanWATERS, as well the Ocean Worlds Lander Autonomy Testbed (OWLAT) [6], a complimentary physical testbed developed at JPL, was the first step in a plan for realizing candidate onboard autonomy solutions for such planetary landers. In 2020 NASA solicited applications for its Autonomous Robotics Research for Ocean Worlds (ARROW) program, and in 2021 the similar Concepts for Ocean worlds Life Detection Technology (COLDTech) program. Collectively six research teams, based in universities and companies across the United States, were awarded grants to develop and demonstrate autonomy solutions on OceanWATERS and OWLAT. These 1–2-year projects have now finished or are nearing completion, and a wide variety of autonomy challenges in ocean world surface missions were addressed. Prototyped and demonstrated solutions have included autonomous discovery, response and adaptation to system faults and unexpected environmental events, world model synthesis through perception, plan synthesis using learned models, methods to optimize sample target selection and prioritize science data transmission, extension of PLEXIL for stochastic decision-making, and an integration of a model of JPL’s mission-ready COLDArm [7]. Technologies used in these projects include many forms of machine learning, causal reasoning, automated planning, Markov decision processes, formal methods, and other advanced techniques. A more detailed summary of the ARROW and COLDTech projects is given herein. OceanWATERS has had significant enhancements since its open-source release in 2020. Many of its new features were driven or shaped by feedback from the ARROW and COLDTech teams and requirements of their projects. In support of enabling autonomous adaptation to spacecraft faults (a specific capability solicited by both programs), a fault injection and detection framework was developed that supports a wide and growing range of fault types such as locked joints, image loss, and battery failures. The power system model was completed and integrated into the simulator, starting as a single-cell battery model and later upgraded to a multi-cell model with associated faults such as cell disconnection. Arm/terrain interaction was improved by adding a force-torque sensor and associated faults, and an analytic dig force model based on the Balovnev bucket force equations. Environment fidelity was increased by modeling terrain deformation resulting from digging and scooping; visual improvements were made in textures, lighting, and shadows. To facilitate interoperation with OWLAT, a unified command and telemetry interface between the testbeds was developed at the ROS level, along with a PLEXIL interface. The number of lander operations was greatly expanded (e.g. with Cartesian-based arm and antenna movement), and a framework was designed for users to build their own lander actions. A GUI for PLEXIL plan selection was created (Figure 3), and an expansive set of plans were added, such as those that illustrate patterns for fault handling. This paper provides a self-contained high-level description of OceanWATERS, focusing on more detailed coverage of the aforementioned enhancements. It provides a high-level summary of the projects undertaken by participants in the ARROW and COLDTech programs and how these efforts have helped shape OceanWATERS. Finally, potential future work and directions for the testbed are listed, as likely informed by the recent planetary science decadal survey [5].

K Michael Dalal↗

DSP Synthesis Algorithm for Generating Florida Scrub Jay Calls

A prototype digital signal processing (DSP) algorithm has been developed to approximate Florida scrub jay calls. The Florida scrub jay (Aphelocoma coerulescens), believed to have been in existence for 2 million years, living only in Florida, has a complicated social system that is evident by examining the spectrograms of its calls. Audio data was acquired at the Helen and Allan Cruickshank Sanctuary, Rockledge, Florida during the 2016 mating season using three digital recorders sampling at 44.1 kHz. The synthesis algorithm is a first step at developing a robust identification and call analysis algorithm. Since the Florida scrub jay is severely threatened by loss of habitat, it is important to develop effective methods to monitor their threatened population using autonomous means.

Florida scrub jay↗

Precursor recommendation for inorganic synthesis by machine learning materials similarity from scientific literature

Synthesis prediction is a key accelerator for the rapid design of advanced materials. However, determining synthesis variables such as the choice of precursor materials is challenging for inorganic materials because the sequence of reactions during heating is not well understood. In this work, we use a knowledge base of 29,900 solid-state synthesis recipes, text-mined from the scientific literature, to automatically learn which precursors to recommend for the synthesis of a novel target material. The data-driven approach learns chemical similarity of materials and refers the synthesis of a new target to precedent synthesis procedures of similar materials, mimicking human synthesis design. When proposing five precursor sets for each of 2654 unseen test target materials, the recommendation strategy achieves a success rate of at least 82%. Our approach captures decades of heuristic synthesis data in a mathematical form, making it accessible for use in recommendation engines and autonomous laboratories.

36 MATERIALS SCIENCE↗

Recent Results From The Nasa Earth Science Terra Mission and Future Possibilities

The NASA Earth Sciences Enterprise has made some remarkable strides in recent times in using developing, implementing, and utilizing spaceborne observations to better understand how the Earth works as a coupled, interactive system of the land, ocean, and atmosphere. Notable examples include the Upper Atmosphere Research (UARS) Satellite, the Topology Ocean Experiment (TOPEX) mission, Landsat-7, SeaWiFS, the Tropical Rainfall Monitoring Mission (TRMM), Quickscatt, the Shuttle Radar Topography Mission (SRTM), and, quite recently, the Terra'/Earth Observing System-1 mission. The Terra mission, for example, represents a major step forward in providing sensors that offer considerable advantages and progress over heritage instruments. The Moderate Resolution Imaging Spectrometer (MODIS), the Multi-angle Imaging SpectroRadiometer (MISR), the Measurements of Pollution in the Troposphere (MOPITT), the Advanced Spaceborne Thermal Emissions and Reflections (ASTER) radiometer, and the Clouds and Earth's Radiant Energy System (CERES) radiometer are the instruments involved. Early indications in March indicate that each of these instruments are working well and will be augmenting data bases from heritage instruments as well as producing new, unprecedented observations of land, ocean, and atmosphere features. Several missions will follow the Terra mission as the Earth Observing mission systems complete development and go into operation. These missions include EOS PM-1/'Aqua', Icesat, Vegetation Canopy Lidar (VCL), Jason/TOPEX Follow-on, the Chemistry mission, etc. As the Earth Observing systems completes its first phase in about 2004 a wealth of data enabling better understanding of the Earth and the management of its resources will have been provided. Considerable thought is beginning to be placed on what advances in technology can be implemented that will enable further advances in the early part of the 21st century; e.g., in the time from of 2020. Concepts such as 'constellation' missions or 'formation flying' with 'sensorcraft', 'sensor webs', autonomous operation of satellites, more on-board processing and delivery to individual users, data synthesis and analysis in real-time, etc. are being considered. With the data now having been and soon to be received plus the very real possibilities of further advances in use and applicability of data the potential for very significant gains in knowledge for Earth studies and applications looks quite high in the next decade or two.

Salomonson, Vincent V.↗

An Integrated Vehicle Modeling Environment

This paper describes an Integrated Vehicle Modeling Environment for estimating aircraft geometric, inertial, and aerodynamic characteristics, and for interfacing with a high fidelity, workstation based flight simulation architecture. The goals in developing this environment are to aid in the design of next generation intelligent fight control technologies, conduct research in advanced vehicle interface concepts for autonomous and semi-autonomous applications, and provide a value-added capability to the conceptual design and aircraft synthesis process. Results are presented for three aircraft by comparing estimates generated by the Integrated Vehicle Modeling Environment with known characteristics of each vehicle under consideration. The three aircraft are a modified F-15 with moveable canards attached to the airframe, a mid-sized, twin-engine commercial transport concept, and a small, single-engine, uninhabited aerial vehicle. Estimated physical properties and dynamic characteristics are correlated with those known for each aircraft over a large portion of the flight envelope of interest. These results represent the completion of a critical step toward meeting the stated goals for developing this modeling environment.

Totah, Joseph J.↗

Toward autonomous laboratories: Convergence of artificial intelligence and experimental automation

The ever-increasing demand for novel materials with superior properties inspires retrofitting traditional research paradigms in the era of artificial intelligence and automation. An autonomous experimental platform (AEP) has emerged as an exciting research frontier that achieves full autonomy via integrating data-driven algorithms such as machine learning (ML) with experimental automation in the material development loop from synthesis, characterization, and analysis, to decision making. In this review, we started with a primer to describe how to develop data-driven algorithms for solving material problems. Then, we systematically summarized recent progress on automated material synthesis, ML-enabled data analysis, and decision-making. Finally, we discussed the challenges and opportunities in an endeavor to develop the next-generation AEP for ultimately realizing an autonomous or self-driving laboratory. In conclusion, this review will provide insights for researchers aiming to learn the frontier of ML in materials science and deploy AEP in their labs for accelerating material development.

36 MATERIALS SCIENCE↗