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At least 181 records · Page 10

Hologram representation of design data in an expert system knowledge base

A novel representational scheme for design object descriptions is presented. An abstract notion of modules and signals is developed as a conceptual foundation for the scheme. This abstraction relates the objects to the meaning of system descriptions. Anchored on this abstraction, a representational model which incorporates dynamic semantics for these objects is presented. This representational model is called a hologram scheme since it represents dual level information, namely, structural and semantic. The benefits of this scheme are presented.

Shiva, S. G.↗

An overview of data tools for representing and managing building information and performance data

Building information modeling (BIM) has been widely adopted for representing and exchanging building data across disciplines during building design and construction. However, BIM's use in the building operation phase is limited. With the increasing deployment of low-cost sensors and meters, as well as affordable digital storage and computing technologies, growing volumes of data have been collected from buildings, their energy services systems, and occupants. Such data are crucial to help decision makers understand what, how, and when energy is consumed in buildings—a critical step to improving building performance for energy efficiency, demand flexibility, and resilience. However, practical analyses and use of the collected data are very limited due to various reasons, including poor data quality, ad-hoc representation of data, and lack of data science skills. To unlock value from building data, there is a strong need for a toolchain to curate and represent building information and performance data in common standardized terminologies and schemas, to enable interoperability between tools and applications. This study selected and reviewed 24 data tools based on common use cases of data across the building life cycle, from design to construction, commissioning, operation, and retrofits. The selected data tools are grouped into three categories: (1) data dictionary or terminology, (2) data ontology and schemas, and (3) data platforms. The data are grouped into ten typologies covering most types of data collected in buildings. This study resulted in five main findings: (1) most data representation tools can represent their intended data typologies well, such as Green Button for smart meter data and Brick schema for metadata of sensors in buildings and HVAC systems, but none of the tools cover all ten types of data; (2) there is a need for data schemas to represent the basis of design data and metadata of occupant data; (3) standard terminologies such as those defined in BEDES are only adopted in a few data tools; (4) integrating data across various stages in the building life cycle remains a challenge; and (5) most data tools were developed and maintained by different parties for different purposes, their flexibility and interoperability can be improved to support broader use cases. Finally, recommendations for future research on building data tools are provided for the data and buildings community based on the FAIR principles to make data Findable, Accessible, Interoperable, and Reusable.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Formal Provenance Representation of the Data and Information Supporting the National Climate Assessment

The Global Change Information System (GCIS) provides a framework for the formal representation of structured metadata about data and information about global change. The pilot deployment of the system supports the National Climate Assessment (NCA), a major report of the U.S. Global Change Research Program (USGCRP). A consumer of that report can use the system to browse and explore that supporting information. Additionally, capturing that information into a structured data model and presenting it in standard formats through well defined open inter- faces, including query interfaces suitable for data mining and linking with other databases, the information becomes valuable for other analytic uses as well.

Provenance↗

Characterizing Sub-Cohorts via Data Normalization and Representation Learning

The process of identifying a cohort of interest is a very challenging task. It requires manually inspecting many patient records of complex structure that might include medical coding errors and missing data. This paper presents a computational pipeline for refining the process of cohort selection based on medical concepts recorded in the electronic health records (EHRs). The pipeline extracts EHR data for a given cohort and normalizes this data using standard vocabularies. Then a stacked denoising autoencoder is used to embed the normalized patient vectors in a low dimensional space, where the patients are subsequently clustered into sub-cohorts. The goal is to represent the cohort in a standard format and abstract variants of sub-populations. As a use-case, we applied the pipeline to 1.8 million Veterans diagnosed with major depressive disorder (MDD), and identified four meaningful sub-cohorts using the features learned by the autoencoder. Then, each sub-cohort was explored using a set of keywords for interpretation.

Rush III, Everett↗

Data Science in Chemical Engineering: Applications to Molecular Science

Chemical engineering is being rapidly transformed by the tools of data science. On the horizon, artificial intelligence (AI) applications will impact a huge swath of our work, ranging from the discovery and design of new molecules to operations and manufacturing and many areas in between. Early adoption of data science, machine learning, and early examples of AI in chemical engineering has been rich with examples of molecular data science—the application tools for molecular discovery and property optimization at the atomic scale. Here, we summarize key advances in this nascent subfield while introducing molecular data science for a broad chemical engineering readership. We introduce the field through the concept of a molecular data science life cycle and discuss relevant aspects of five distinct phases of this process: creation of curated data sets, molecular representations, data-driven property prediction, generation of new molecules, and feasibility and synthesizability considerations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Data graphing methods, articles of manufacture, and computing devices

Data graphing methods, articles of manufacture, and computing devices are described. In one aspect, a method includes accessing a data set, displaying a graphical representation including data of the data set which is arranged according to a first of different hierarchical levels, wherein the first hierarchical level represents the data at a first of a plurality of different resolutions which respectively correspond to respective ones of the hierarchical levels, selecting a portion of the graphical representation wherein the data of the portion is arranged according to the first hierarchical level at the first resolution, modifying the graphical representation by arranging the data of the portion according to a second of the hierarchal levels at a second of the resolutions, and after the modifying, displaying the graphical representation wherein the data of the portion is arranged according to the second hierarchal level at the second resolution.

97 MATHEMATICS AND COMPUTING↗

Contrastive learning for robust representations of neutrino data

In neutrino physics, analyses often depend on large simulated datasets, making it essential for models to generalize effectively to real-world detector data. Contrastive learning, a well-established technique in deep learning, offers a promising solution to this challenge. By applying controlled data augmentations to simulated data, contrastive learning enables the extraction of robust and transferable features. This improves the ability of models trained on simulations to adapt to real experimental data distributions. In this paper, we investigate the application of contrastive learning methods in the context of neutrino physics. Through a combination of empirical evaluations and theoretical insights, we demonstrate how contrastive learning enhances model performance and adaptability. Additionally, we compare it to other domain adaptation techniques, highlighting the unique advantages of contrastive learning for this field. Published by the American Physical Society 2025

Wilkinson, Alex (ORCID:0000000253404506)↗

NeuralCubes: Deep Representations for Visual Data Exploration

Visual exploration of large multi-dimensional datasets has seen tremendous progress in recent years, allowing users to express rich data queries that produce informative visual summaries, all in real time. Techniques based on data cubes are some of the most promising approaches. However, these techniques usually require a large memory footprint for large datasets. To tackle this problem, we present NeuralCubes: neural networks that predict results for aggregate queries, similar to data cubes. NeuralCubes learns a function that takes as input a given query, for instance, a geographic region and temporal interval, and outputs the result of the query. The learned function serves as a real-time, low-memory approximator for aggregation queries. Our models are small enough to be sent to the client side (e.g. the web browser for a web-based application) for evaluation, enabling data exploration of large datasets without database/network connection. Here, we demonstrate the effectiveness of NeuralCubes through extensive experiments on a variety of datasets and discuss how NeuralCubes opens up opportunities for new types of visualization and interaction.

97 MATHEMATICS AND COMPUTING↗

The photo-colorimetric space as a medium for the representation of spatial data

Spatial displays and instruments are usually used in the context of vehicle guidance, but it is hard to find applicable spatial formats in information retrieval and interaction systems. Human interaction with spatial data structures and the applicability of the CIE color space to improve dialogue transparency is discussed. A proposal is made to use the color space to code spatially represented data. The semantic distances of the categories of dialogue structures or, more general, of database structures, are determined empirically. Subsequently the distances are transformed and depicted into the color space. The concept is demonstrated for a car diagnosis system, where the category cooling system could, e.g., be coded in blue, the category ignition system in red. Hereby a correspondence between color and semantic distances is achieved. Subcategories can be coded as luminance differences within the color space.

Kraiss, K. Friedrich↗

Complik: A versatile tool for automatizing the representation of material data in MCNP models - 14412

At the Paul Scherrer Institut, the CASMO/SIMULATE code system is used as reference scheme for core analyses of the Swiss reactors. Besides, Monte Carlo (MC) based neutron transport codes are in parallel being established both for out-of-core applications and full core analyses, in order to provide higher fidelity solutions to problems beyond the modelling capabilities of the standard core modelling methods. In this perspective, a necessity is to be able to conduct the MC calculations at any operating conditions, requiring thus proper initialisation of the thermal-hydraulic feedback as well as at any burnup, prompting the need for a detailed modelling of all material zones in the irradiated fuel assemblies. To tackle the later challenge, the development of the COMPLINK tool, aimed at initialising large-scale MC models of burned core configurations, using as basis upstream 2-D assembly/ 3-D core analyses results, was initiated and is presented in this paper. A main feature is the capability to extend in an automatic manner, a user given MC model in order to represent material data with a higher resolution, keeping track of the location of such materials also within nested repeated structures. This capability prevents the user from the burden of developing specific computational framework for a target application. Since the same functionalities are required to analyse out-of-core spent fuel managements systems, a first verification of COMPLINK is illustrated on the basis of a criticality safety evaluation (CSE) with MCNP6.1 of a Swiss PWR wet storage pool loaded with fresh and burned fuel assemblies. Starting from CASMO-5 depletion calculations at each axial layer of the depleted fuel assemblies and reconstructed based on realistic irradiation histories, COMPLINK is then applied to load the isotopic compositions into the material zones of the corresponding MCNP6.1 assembly models. On this basis, the CSE analyses are conducted with focus on investigating axial and radial modelling effects. All in all, the obtained results are found to be well in line with the impact on CSE expected at the considered burnup levels, providing thus confidence in the correct implementation of the COMPLINK functionalities and confirming its effectiveness as well as efficiency for the initialization of all material zones in large-scale MC models of complex and strongly heterogeneous burned configurations. (authors)

42 ENGINEERING↗

Thermochemical Data Fusion Using Graph Representation Learning

Large databases are required for “Big Data” applications in catalysis and materials science. Thermochemical databases can be created by combining data from various sources and by correcting low-fidelity datasets to higher accuracy with minimal computation. To achieve this “data fusion”, thermochemical quantities of interest, calculated at various levels of density functional theory (DFT), need to be mapped to the same, high levels of theory. In this work, a graph theoretical, statistical framework is proposed for such tasks. Subgraph frequencies are shown to provide a natural representation for learning these fusion maps. The maps are linear and are learnt with automated descriptor selection. Using a dataset of as few as ~1% from the QM9 database of 133,885 molecules, these models can predict multiple thermochemical quantities at a higher level of theory with an accuracy of 1 kcal/mol. Here, the method is explainable, generalizable, and provides a diagnostic tool for outlier identification

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multi-resolution enhancement for full-spectrum neural representations

Scientific data acquisition continues to outpace storage and analysis capabilities, making voxel-basedrepresentations increasingly intractable. Implicit neural representations (INRs) offer a promising solutionby encoding signals through coordinate-based neural networks, serving as surrogates of data, withcomputational and storage requirements scaling with network complexity rather than data dimensionality.However, smaller INRs struggle to faithfully represent multiscale structures, high-frequency informationand fine textures that constitute a large proportion of scientific measurements. We propose WIEN-INR, atheoretically guided hierarchical INR framework that distributes modelling across resolution scales andenables improved representation capacity through a novel enhancement network to recover subtle details.This multiscale architecture allows smaller networks to retain the full spatial-frequency content of thesignal as well as preserve training efficiency and lower storage cost. Evaluated on distinct raw experimentalmeasurements across scales and complexities, WIEN-INR represents a practical step towards a broaderadoption of neural representations in scientific workflows, delivering compact, robust and high-fidelityrepresentations.

Ni, Yuan [SLAC National Accelerator Laboratory (SL↗

A computer analysis of ERTS data of the Lake Gregory area of South Australia with particular emphasis on its role in terrain classification for engineering

A digital computer and multivariate statistical techniques were used to analyze 4-band multispectral data. A representation of the original data for each of the four bands allows a certain degree of terrain interpretation; however, variations in appearance of sites within and between bands, without additional criteria for deciding which representation should be preferred, create difficulties for classification. Investigation of the video data groups produced by principal components analysis and cluster analysis techniques shows that effective correlations with classifications of terrain produced by conventional methods could be carried out. The analyses also highlighted underlying relationships between the various elements. The approach used allows large areas (185 cm by 185 cm) to be classified into fundamental units within a matter of hours and can be applied to those parts of the Earth where facilities for conventional studies are poor or lacking.

Lodwick, G. D.↗

Aerodynamic Sensitivity of a Novel Data-Driven Airfoil Shape Representation Framework

We explore the aerodynamic implications of a novel data-driven separable shape tensor framework used to represent discrete airfoil shapes. In this study, we construct a data-driven parameter space defined by separable shape tensors and informed by tens of thousands of distinct airfoils. We use this design space to generate new airfoil designs to study parametric sensitivities with respect to various aerodynamic responses. We use a HAM2D RANS solver to approximate the lift, drag, and moment coefficients for the generated airfoils at two different angles-of-attack. We analyze the robustness and sensitivities of using the separable shape tensor design space by examining the coverage of the aerodynamic response space, uncovering low-dimensional polynomial ridge approximations, and computing various sensitivity metrics. The results show that the data-driven design space produce significant variation in target aerodynamic quantities and facilitate highly accurate approximations (R^2 > 0.96) of one- and two-dimensional structures in each aerodynamic response. This further reduces the effective dimension to enable simplified design and optimization tasks.

aerodynamics↗