Related papers: M-CODE: Materials Categorization via Ontology, Dim…
A discriminative structured analysis dictionary is proposed for the classification task. A structure of the union of subspaces (UoS) is integrated into the conventional analysis dictionary learning to enhance the capability of…
As automated decision-making solutions are increasingly applied to all aspects of everyday life, capabilities to generate meaningful explanations for a variety of stakeholders (i.e., decision-makers, recipients of decisions, auditors,…
Materials discovery requires navigating vast chemical and structural spaces while satisfying multiple, often conflicting, objectives. We present LLM-guided Evolution for MAterials discovery (LLEMA), a unified framework that couples the…
Software visualization seeks to represent software artifacts graphical-ly in two or three dimensions, with the goal of enhancing comprehension, anal-ysis, maintenance, and evolution of the source code. In this context, visualiza-tions…
Molecules are graphs, but large language models~(LLMs) are usually asked to reason about them through linear strings. The most popular molecular representation, SMILES, compresses atoms, bonds, branches and rings into a compact sequence in…
Modification of physical properties of materials and design of materials with on-demand characteristics is at the heart of modern technology. Rare application relies on pure materials--most devices and technologies require careful design of…
Real-life man-made objects often exhibit strong and easily-identifiable structure, as a direct result of their design or their intended functionality. Structure typically appears in the form of individual parts and their arrangement.…
Image-based species identification could help scaling biodiversity monitoring to a global scale. Many challenges still need to be solved in order to implement these systems in real-world applications. A reliable image-based monitoring…
Machine-vision-based defect classification techniques have been widely adopted for automatic quality inspection in manufacturing processes. This article describes a general framework for classifying defects from high volume data batches…
The past decades have witnessed the rapid development of image and video coding techniques in the era of big data. However, the signal fidelity-driven coding pipeline design limits the capability of the existing image/video coding…
The European Materials and Modelling Ontology (EMMO) is a top-level ontology designed by the European Materials Modelling Council to facilitate semantic interoperability between platforms, models, and tools in computational molecular…
Hyperdimensional (HD) computing is built upon its unique data type referred to as hypervectors. The dimension of these hypervectors is typically in the range of tens of thousands. Proposed to solve cognitive tasks, HD computing aims at…
Programming often involves converting detailed and complex specifications into code, a process during which developers typically utilize visual aids to more effectively convey concepts. While recent developments in Large Multimodal Models…
We introduce CODS (Computational Optimization in Design Space), a theoretical model that frames computational design as a constrained optimization problem over a structured, multi-dimensional design space. Unlike existing methods that rely…
Pattern-based, modular ontologies have several beneficial properties that lend themselves to FAIR data practices, especially as it pertains to Interoperability and Reusability. However, developing such ontologies has a high upfront cost,…
This paper presents an explore-and-classify framework for structured architectural reconstruction from an aerial image. Starting from a potentially imperfect building reconstruction by an existing algorithm, our approach 1) explores the…
An analysis of high-dimensional data can offer a detailed description of a system but is often challenged by the curse of dimensionality. General dimensionality reduction techniques can alleviate such difficulty by extracting a few…
Microbiology research has access to a very large amount of public information on the habitats of microorganisms. Many areas of microbiology research uses this information, primarily in biodiversity studies. However the habitat information…
Methodology adapted from data science sparked the field of materials informatics, and materials databases are at the heart of it. Applying artificial intelligence to these databases will allow the prediction of properties of complex organic…
The vast majority of materials science knowledge exists in unstructured natural language, yet structured data is crucial for innovative and systematic materials design. Traditionally, the field has relied on manual curation and partial…