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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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Multitarget control models for building thermal comfort and indoor air quality - A critical review

The control techniques in buildings contribute significantly to thermal comfort and indoor air quality (IAQ). However, the gaps are existing for multitarget controls considering both thermal comfort and IAQ. They are: (1) both experimental and modeling control studies were conducted for thermal comfort, focusing on temperature and humidity. (2) All three (physical, grey-box, black-box) modeling approaches were investigated for temperature control. (3) Physical and grey-box modeling approach were adopted for humidity control. (4) physical models were developed for VOCs and CO2 control. (5) grey-box and black-box models were lacking for VOCs and CO2. (6) Multi-target controls were lacking for temperature, humidity and CO2s. (7) Limited studies are available for multi-target controls for temperature, humidity, and VOCs. (8) Multi-target controls are not available yet for temperature, humidity, VOCs, and CO2.

42 ENGINEERING

Integration of a grey-box refrigerated case model in EnergyPlus via Python plugin

Commercial buildings, in particular grocery stores (due mainly to their large refrigeration load), provide opportunities for energy cost reductions. Grocery stores could offer substantial load flexibility to the power grid through participation in demand response programs because of their usage patterns and relatively high energy intensity. This load flexibility could come from modifying the control of heating, ventilation, and air conditioning (HVAC) systems, refrigeration systems, or both. Although estimation of the HVAC system’s load flexibility potential is relatively targeted in the literature, estimating load flexibility of refrigeration systems is nascent and has been a challenge, in part because of the lack of proper simulation tools that capture the dynamics in the refrigeration cases. The existing refrigerated case model within EnergyPlus, a whole building energy simulation program, assumes a constant case temperature throughout the simulation period and does not explicitly model the cycling of the compressor serving the refrigerated case. In addition, it does not encompass modeling of temperatures of the product inside the refrigerated case. This difference between modeled and actual operation can be a barrier to the development of demand control algorithm and accurate analysis of load flexibility potential. In this paper, we present a grey-box model for modeling refrigerated cases in grocery stores, which include medium temperature and low temperature. Four cases are modeled; two are low-temperature closed cases and two are medium-temperature cases with one closed and one open. Data from an experimental facility are used to train and test the models. Results demonstrate the efficacy of the grey-box models in predicting the temperatures. This model is integrated into EnergyPlus to capture the dynamic effects of case temperature on the environment and enhance the calculation of sensible and latent heat exchange with the environment (case credits). These enhancements can be leveraged more broadly to model advanced refrigeration controls such as defrost, develop and test unique algorithms that could affect refrigeration interactions with HVAC, and refine store design for any commercial building with refrigeration.

29 ENERGY PLANNING, POLICY, AND ECONOMY

Review of Grey Box/Black Box Data Contamination Metrics on Open and Commercial Models

Dataset contamination is a problem where benchmarks and tasks used to evaluate the capabilities of Large Language Models (LLMs) have been incorporated into the training dataset of the models. This gives a false sense of performance that can overestimate how these models will function on truly unseen data. This problem becomes worse with commercial LLMs with larger and non-accessible training data, so techniques have been developed to try to measure the degree to which a model is contaminated with a benchmark’s data. To understand the effectiveness of these techniques, particularly when evaluating contamination on coding tasks, we review trends and categorize techniques by the degree of access to the model that is required. The research literature on this topic has reported mixed effectiveness of these techniques, so we select a set of black box (text access only) and grey box (access to model loss/probabilities required) techniques and apply them to both commercial and non-commercial models. We implement these metrics as part of a framework to test the contamination of Python code in LLMs to see to what extent we can replicate the effectiveness (or ineffectiveness) of these contamination detection techniques. Though we find mixed results in the capabilities of these metrics to identify contamination, we do observe evidence that they can identify contamination (broadly) in fine-tuned models when both a baseline and fine-tuned model is present. Additionally, similarity metrics were able to identify between contaminated and uncontaminated data even in situations where the data is distributionally similar (e.g., drawn from the same set of code projects).

97 MATHEMATICS AND COMPUTING

Building Operation Model (Morpheus) for Dallas Fort Worth Airport (CRADA CRD-19-16301 Final Report)

The primary objective of this project was to leverage digital twin technology to enhance the design and operation of DFW Airport terminals and their associated energy systems. To achieve this, Morpheus, a building digital twin, was developed to guide improvements in airport operations, specifically targeting reductions in peak power demand and overall energy consumption.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

Semantic Stealth: Crafting Covert Adversarial Patches for Sentiment Classifiers Using Large Language Models

Deep learning models have been shown to be vulnerable to adversarial attacks, in which perturbations to their inputs cause the model to produce incorrect predictions. As opposed to adversarial attacks in computer vision, where small changes introduced to pixel values can drastically alter a model's output while remaining imperceptible to humans, text-based attacks are difficult to conceal due to the discrete nature of tokens. Consequently, unconstrained gradient-based attacks often produce adversarial examples that lack semantic meaning, rendering them detectable through visual inspection or perplexity filters. In contrast to methods that rely on gradient-based optimization in the embedding space, we propose an approach that leverages a Large Language Model's ability to generate grammatically correct and semantically meaningful text to craft adversarial patches that seamlessly blend in with the original input text. These patches can be used to alter the behavior of a target model, such as a text classifier. Since our approach does not rely on gradient backpropagation, it only requires access to the target model's confidence scores, making it a grey-box attack. We demonstrate the feasibility of our approach using open-source LLMs, including Intel's Neural Chat, Llama2, and Mistral-Instruct, to generate adversarial patches capable of altering the predictions of a distilBERT model fine-tuned on the IMDB reviews dataset for sentiment classification.

Roa Carvajal, Maria

Grey-Box System Identification of Grid-Forming Inverters

This paper demonstrates the use of grey-box system identification methods for simplifying and understanding the nonlinear power dynamics of grid-forming inverters (GFMs). The power and frequency outputs of complex high-order GFM models are fed into system identification software in order to fit them to a predetermined LTI system and learn system parameters such as (synthetic) inertia and droop constants. The same process is then run for a high-order synchronous generator model, and the outputs are fit to the same set of LTI equations. Simulation of a network of GFM inverters with diverse control architecture is also performed for the same process. The intent is threefold: first, to demonstrate the appropriateness of unified LTI models for describing the power and frequency dynamics of individual resources and connected networks, in order to facilitate analysis of larger heterogeneous networked systems; second, to discover the relationship between internal control parameters of GFMs and their externally observed values; and third, to validate that grey-box data-driven system identification techniques can be a valuable tool to discover the values of important parameters in the absence of explicit vendor models.

analytical models

A foundation model for atomistic materials chemistry

Atomistic simulations of matter, especially those that leverage first-principles (ab initio) electronic structure theory, provide a microscopic view of the world, underpinning much of our understanding of chemistry and materials science. Over the last decade or so, machine-learned force fields have transformed atomistic modeling by enabling simulations of ab initio quality over unprecedented time and length scales. However, early machine-learning (ML) force fields have largely been limited by (i) the substantial computational and human effort required to develop and validate potentials for each particular system of interest and (ii) a general lack of transferability from one chemical system to the next. Here, we show that it is possible to create a general-purpose atomistic ML model, trained on a public dataset of moderate size, that is capable of running stable molecular dynamics for a wide range of molecules and materials. We demonstrate the power of the MACE-MP-0 model-and its qualitative and at times quantitative accuracy-on a diverse set of problems in the physical sciences, including properties of solids, liquids, gases, chemical reactions, interfaces, and even the dynamics of a small protein. The model can be applied out of the box as a starting or "foundation" model for any atomistic system of interest and, when desired, can be fine-tuned on just a handful of application-specific data points to reach ab initio accuracy. Establishing that a stable force-field model can cover almost all materials changes atomistic modeling in a fundamental way: experienced users obtain reliable results much faster, and beginners face a lower barrier to entry. Foundation models thus represent a step toward democratizing the revolution in atomic-scale modeling that has been brought about by ML force fields.

Batatia, Ilyes