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At least 37 records · Page 2

ChemGraph as an agentic framework for computational chemistry workflows

Atomistic simulations are essential in chemistry and materials science but remain challenging to run due to the expert knowledge required for the setup, execution, and validation stages of these calculations. We present ChemGraph, an agentic framework powered by artificial intelligence and state-of-the-art simulation tools to streamline and automate computational chemistry and materials science workflows. ChemGraph leverages graph neural network-based foundation models for accurate yet computationally efficient calculations and large language models (LLMs) for natural language understanding, task planning, and scientific reasoning to provide an intuitive and interactive interface. We evaluate ChemGraph across 13 benchmark tasks and demonstrate that smaller LLMs (GPT-4o-mini, Claude-3.5-haiku, Qwen-2.5-14B) perform well on simple workflows, while more complex tasks benefit from using larger models. Importantly, we show that decomposing complex tasks into smaller subtasks through a multi-agent framework enables GPT-4o to reach perfect accuracy and smaller LLMs to match or exceed single-agent GPT-4o's performance in these benchmarks.

Computational chemistry

Measuring Pilot Workload in a Moving-base Simulator. Part 2: Building Levels of Workload

Pilot behavior in flight simulators often use a secondary task as an index of workload. His routine to regard flying as the primary task and some less complex task as the secondary task. While this assumption is quite reasonable for most secondary tasks used to study mental workload in aircraft, the treatment of flying a simulator through some carefully crafted flight scenario as a unitary task is less justified. The present research acknowledges that total mental workload depends upon the specific nature of the sub-tasks that a pilot must complete as a first approximation, flight tasks were divided into three levels of complexity. The simplest level (called the Base Level) requires elementary maneuvers that do not utilize all the degrees of freedom of which an aircraft, or a moving-base simulator; is capable. The second level (called the Paired Level) requires the pilot to simultaneously execute two Base Level tasks. The third level (called the Complex Level) imposes three simultaneous constraints upon the pilot.

Kantowitz, B. H.

Integrating planning and reactive control

Our research is developing persistent agents that can achieve complex tasks in dynamic and uncertain environments. We refer to such agents as taskable, reactive agents. An agent of this type requires a number of capabilities. The ability to execute complex tasks necessitates the use of strategic plans for accomplishing tasks; hence, the agent must be able to synthesize new plans at run time. The dynamic nature of the environment requires that the agent be able to deal with unpredictable changes in its world. As such, agents must be able to react to unanticipated events by taking appropriate actions in a timely manner, while continuing activities that support current goals. The unpredictability of the world could lead to failure of plans generated for individual tasks. Agents must have the ability to recover from failures by adapting their activities to the new situation, or replanning if the world changes sufficiently. Finally, the agent should be able to perform in the face of uncertainty. The Cypress system, described here, provides a framework for creating taskable, reactive agents. Several features distinguish our approach: (1) the generation and execution of complex plans with parallel actions; (2) the integration of goal-driven and event driven activities during execution; (3) the use of evidential reasoning for dealing with uncertainty; and (4) the use of replanning to handle run-time execution problems. Our model for a taskable, reactive agent has two main intelligent components, an executor and a planner. The two components share a library of possible actions that the system can take. The library encompasses a full range of action representations, including plans, planning operators, and executable procedures such as predefined standard operating procedures (SOP's). These three classes of actions span multiple levels of abstraction.

Wilkins, David E.

Telerobot control system

This invention relates to an operator interface for controlling a telerobot to perform tasks in a poorly modeled environment and/or within unplanned scenarios. The telerobot control system includes a remote robot manipulator linked to an operator interface. The operator interface includes a setup terminal, simulation terminal, and execution terminal for the control of the graphics simulator and local robot actuator as well as the remote robot actuator. These terminals may be combined in a single terminal. Complex tasks are developed from sequential combinations of parameterized task primitives and recorded teleoperations, and are tested by execution on a graphics simulator and/or local robot actuator, together with adjustable time delays. The novel features of this invention include the shared and supervisory control of the remote robot manipulator via operator interface by pretested complex tasks sequences based on sequences of parameterized task primitives combined with further teleoperation and run-time binding of parameters based on task context.

Backes, Paul G.

Investigating the impact of a multi-module operation environment on the task performance time of human operators – An explanatory study

The worldwide demand for Small Modular Reactors (SMRs) has surged in recent years due to their enhanced safety and versatility in supporting diverse industrial sectors. A unique feature of SMR operation is that a single human operator is responsible for managing multiple modules. Therefore, securing a sufficient amount of human performance data pertaining to this new environment is essential for the safe operation of SMRs. In this explanatory study, a series of experiments were conducted using the NuScale simulator, a representative SMR design, with student operators. A total of 12 student operators were assigned two types of off-normal events and asked to cope with them using paper-based procedures. Subsequently, their task performance times were compared with those of student operators responsible for a single unit based on the Task Complexity (TACOM) measure. Results indicate that the performance of student operators under the experimental conditions of this study degraded by a factor of 2 to 3, depending on the characteristics of the off-normal events.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS

Predictive performance models and multiple task performance

Five models that predict how performance of multiple tasks will interact in complex task scenarios are discussed. The models are shown in terms of the assumptions they make about human operator divided attention. The different assumptions about attention are then empirically validated in a multitask helicopter flight simulation. It is concluded from this simulation that the most important assumption relates to the coding of demand level of different component tasks.

Wickens, Christopher D.

Electroencephalographic monitoring of complex mental tasks

Outlined here is the development of neurophysiological procedures to monitor operators during the performance of cognitive tasks. Our approach included the use of electroencepalographic (EEG) and rheoencephalographic (REG) techniques to determine changes in cortical function associated with cognition in the operator's state. A two channel tetrapolar REG, a single channel forearm impedance plethysmograph, a Lead I electrocardiogram (ECG) and a 21 channel EEG were used to measure subject responses to various visual-motor cognitive tasks. Testing, analytical, and display procedures for EEG and REG monitoring were developed that extend the state of the art and provide a valuable tool for the study of cerebral circulatory and neural activity during cognition.

Guisado, Raul

Static assignment of complex stochastic tasks using stochastic majorization

We consider the problem of statically assigning many tasks to a (smaller) system of homogeneous processors, where a task's structure is modeled as a branching process, and all tasks are assumed to have identical behavior. We show how the theory of majorization can be used to obtain a partial order among possible task assignments. Our results show that if the vector of numbers of tasks assigned to each processor under one mapping is majorized by that of another mapping, then the former mapping is better than the latter with respect to a large number of objective functions. In particular, we show how measurements of finishing time, resource utilization, and reliability are all captured by the theory. We also show how the theory may be applied to the problem of partitioning a pool of processors for distribution among parallelizable tasks.

Nicol, David

Planning assembly/disassembly operations for space telerobotics

Space telerobotic systems will perform complex tasks of assembly, disassembly, and repair of space-based equipment. Planning such tasks requires reasoning about the functional, physical, and geometrical properties of the equipment, as well as a representation of the characteristics and capabilities of the manipulators and sensors available for the task. The And/Or graph is a useful approach to representation of feasible assembly/disassembly sequences and provides the basis for search among alternative strategies. The paper describes the use of parts entropy measures as evaluation criteria for search in the And/Or graph space. This approach leads to candidate task plans which minimize the complexity of intermediate geometrical states.

Sanderson, Arthur C.

The effects of instructional sets on reactions to and performance on an intelligent tutoring system

The effects of a contextual factor, i.e., task instructions, on performance on and reactions to an Intellegent Tutoring System (ITS) training Remote Manipulator System (RMS) tasks were examined. The results supported the first prediction that task instructions could be used to successfully induce a mastery versus an achievement orientation. Previous research suggests that a mastery orientation can result in beneficial effects on learning and performance of complex tasks. Furthermore, the results supported the second prediction that a mastery orientation would have beneficial effects on learning and performance as well as affective and cognitive reactions to the ITS tasks. Moreover, the results indicated that a mastery orientation was especially beneficial for the more complex ITS tasks and later in task practice, i.e., when a task was performed for the second time. A mastery orientation is posited to have its beneficial effects by focusing more effort and attention on task performance. Conclusions are drawn with some caution due to the small number of subjects, although the results for these subjects were consistent across multiple trials and multiple measures of performance. ITS designers are urged to consider contextual factors such as task instructions and feedback in terms of their potential to induce a mastery versus an achievement orientation.

Johnson, Debra Steele

Task-level control for autonomous robots

Task-level control refers to the integration and coordination of planning, perception, and real-time control to achieve given high-level goals. Autonomous mobile robots need task-level control to effectively achieve complex tasks in uncertain, dynamic environments. This paper describes the Task Control Architecture (TCA), an implemented system that provides commonly needed constructs for task-level control. Facilities provided by TCA include distributed communication, task decomposition and sequencing, resource management, monitoring and exception handling. TCA supports a design methodology in which robot systems are developed incrementally, starting first with deliberative plans that work in nominal situations, and then layering them with reactive behaviors that monitor plan execution and handle exceptions. To further support this approach, design and analysis tools are under development to provide ways of graphically viewing the system and validating its behavior.

Simmons, Reid

Operational testing of a figure of merit for overall task performance

An overall indicator or figure of merit (FOM), for the quality of pilot performance is needed to define optimal workload levels, predict system failure, measure the impact of new automation in the cockpit, and define the relative contributions of subtasks to overall task performance. A normative FOM was developed based on the calculation of a standard score for each component of a complex task. It reflected some effects, detailed in an earlier study, of the introduction of new data link technology into the cockpit. Since the technique showed promise, further testing was done. A new set of data was obtained using the recently developed Multi-Attribute Task Battery. This is a complex battery consisting of four tasks which can be varied in task demand, and on which performance measures can be obtained. This battery was presented to 12 subjects in a 20 minute trial at each of three levels of workload or task demand, and performance measures collected on all four tasks. The NASA-TLX workload rating scale was presented at minutes 6, 12, and 18, of each trial. A figure of merit was then obtained for each run of the battery by calculating a mean, SD, and standard score for each task. Each task contributed its own proportion to the overall FOM, and relative contributions changed with increasing workload. Thus, the FOM shows the effect of task changes, not only on the individual task that is changed, but also on the performance of other tasks and of the whole task. The cost to other tasks of maintaining constant performance on an individual task can be quantified.

Lemay, Moira

Evaluation of color in digital nuclear power plant control room displays

Human system interface design in industrial process control is guided by industry standards, human factors best practices, and domain-specific conventions, and often there is a conflict between one or more of the sources of design input for specific design elements. In the nuclear domain, one design element for which conflict arises is the use of color to represent equipment state. Here, this study evaluates the tradeoffs associated with using color in a process control display versus using white and shades of gray. The performance metrics were response time, accuracy, and eye movement metrics using a simplified experimental task and professional operators. Results revealed that adhering to color conventions in nuclear power yielded small advantages in simple tasks, but did not exist for more complex tasks. The results did not provide strong evidence for or against using a particular color scheme and revealed the need for further research on the use of color for commercial nuclear power plants and other process control industries.

99 GENERAL AND MISCELLANEOUS

Intelligent interfaces for tactical airborne platforms

Enhanced capabilities of tactical airborne platforms have resulted in increased number of aircrew tasks, greater task complexity, and increased time-stress in task performance. Embedded intelligence in the aircrew-vehicle interface (AVI) can help alleviate aircrew workload and enhance aircrew performance by: (1) optimizing the exchange of information between the aircrew and the onboard automation; and (2) adaptively allocating functions between aircrew and automation in response to situational demands. Intelligent interface issues are addressed in this report such as: (1) how to ensure that the aircrew can cope with the information influx; (2) how to present/portray both situational and internal status information; (3) how to allocate functions between the aircrew and the onboard automation; and (4) how to explain reasoning processes employed by onboard intelligence to the aircrew.

Madni, A.

Establishing viable task domains for telerobot demonstrations

A suite of telerobotic tasks has been compiled and assessed for the purpose of selecting viable tasks for near and far term laboratory demonstrations. The primary intent of developing the task is to provide some technical guidelines, with supporting data, for focusing laboratory demonstrations toward application domains that address a wide array of potential telerobot tasks and required technologies. This wide application would then result in a rich technology development environment to meet the broad task requirements of a system such as the Flight Telerobot Servicer. The methodology and results of the telerobot task assessment are described, including a ranking of the final select suite of major tasks. The presented along with guidelines for both interpreting the task ranking results and setting programmatic objectives based on these results. Detailed data about the task candidates and their respective levels of complexity, task primitive actions, and the actual relative measures of task worth as associated with key tradeoff variables such as cost, available research resources, technology availability, and importance to the user community are also presented.

Zimmerman, Wayne

Generalizability of Manual Control Skills Between Control Tasks of Varying Difficulty

This paper presents the results of an experiment that was performed at NASA Ames Research Center using 18 participants in two different groups who trained a task for ten days, with the goal of identifying how skill generalization would occur between two similar tasks of varying difficulty. A cybernetic approach was used. The first group was trained in a simple one-dimensional tracking task and transferred to a difficult two-dimensional tracking task. For the second group, this was reversed. Training with a simple task before transferring to the difficult task resulted in a slower convergence to final performance. However, it did allow participants to start with a better initial performance in the difficult task. Furthermore, after training with a simple task, participants controlled with a higher gain and generated lower lead time constants. However, possibly due to the number of participants, this experiment did not find any statistical evidence to support the conclusion that training with a simple task version helps in learning a more complex task.

skill generalizability

Generalizability of Manual Control Skills between Control Tasks of Varying Difficulty

This paper presents the results of an experiment that was performed at NASA Ames Research Center using 18 participants in two different groups who trained a task for ten days, with the goal of identifying how skill generalization would occur between two similar tasks of varying difficulty. A cybernetic approach was used. The first group was trained in a simple one-dimensional tracking task and transferred to a difficult two-dimensional tracking task. For the second group, this was reversed. Training with a simple task before transferring to the difficult task resulted in a slower convergence to final performance. However, it did allow participants to start with a better initial performance in the difficult task. Furthermore, after training with a simple task, participants controlled with a higher gain and generated lower lead time constants. However, possibly due to the number of participants, this experiment did not find any statistical evidence to support the conclusion that training with a simple task version helps in learning a more complex task.

Pieters, Marc A.