arXiv research

Smectic liquid crystals are materials formed by stacking deformable, fluid layers. Though smectics prefer to have flat, uniformly-spaced layers, boundary conditions can impose curvature on the layers. Since the layer spacing and curvature are intertwined, the problem of finding minimal configurations for the layers bec…

Materials discovery is crucial for making scientific advances in many domains. Collections of data from experiments and first-principle computations have spurred interest in applying machine learning methods to create predictive models capable of mapping from composition and crystal structures to materials properties. …

Improved defect detection in layered materials using signal separation methods.

An essential aspect of texture analysis is the extraction of features that describe the distribution of values in local, spatial regions. We present a localized histogram layer for artificial neural networks. Instead of computing global histograms as done previously, the proposed histogram layer directly computes the l…

The paper develops a method to discover causal relations and predict material laws with uncertainty quantification.

We introduce a novel description of the dynamics of the order book of financial markets as that of an effective colloidal Brownian particle embedded in fluid particles. The analysis of a comprehensive market data enables us to identify all motions of the fluid particles. Correlations between the motions of the Brownian…

Multi-layer optical film has been found to afford important applications in optical communication, optical absorbers, optical filters, etc. Different algorithms of multi-layer optical film design has been developed, as simplex method, colony algorithm, genetic algorithm. These algorithms rapidly promote the design and …

Unified framework for non-uniform materials evolving over time.

Study identifies stable configurations of intertwined threads with repulsive interactions.

Four-dimensional scanning transmission electron microscopy (4D-STEM) of local atomic diffraction patterns is emerging as a powerful technique for probing intricate details of atomic structure and atomic electric fields. However, efficient processing and interpretation of large volumes of data remain challenging, especi…

Paper proposes a new method for designing materials using deep learning.

While increasingly deep networks are still in general desired for achieving state-of-the-art performance, for many specific inputs a simpler network might already suffice. Existing works exploited this observation by learning to skip convolutional layers in an input-dependent manner. However, we argue their binary deci…

Deep CNN monitors AM quality with high accuracy.

A groupoid $Ω\left( \mathcal{B} \right)$ called material groupoid is naturally associated to any simple body $\mathcal{B}$. The material distribution is introduced due to the (possible) lack of differentiability of the material groupoid. Thus, the inclusion of these new objects in the theory of material bodies opens th…

Dual energy computed tomography (DECT) imaging plays an important role in advanced imaging applications due to its material decomposition capability. Image-domain decomposition operates directly on CT images using linear matrix inversion, but the decomposed material images can be severely degraded by noise and artifact…

DAFNO learns surrogates for complex systems on irregular geometries.

A Lie groupoid, called \textit{material Lie groupoid}, is associated in a natural way to any elastic material. The corresponding Lie algebroid, called \textit{material algebroid}, is used to characterize the uniformity and the homogeneity properties of the material. The relation to previous results in terms of $G-$stru…

A major challenge in materials design is how to efficiently search the vast chemical design space to find the materials with desired properties. One effective strategy is to develop sampling algorithms that can exploit both explicit chemical knowledge and implicit composition rules embodied in the large materials datab…

Integrated Computational Materials Engineering (ICME) aims to accelerate optimal design of complex material systems by integrating material science and design automation. For tractable ICME, it is required that (1) a structural feature space be identified to allow reconstruction of new designs, and (2) the reconstructi…

Recognizing an object's material can inform a robot on the object's fragility or appropriate use. To estimate an object's material during manipulation, many prior works have explored the use of haptic sensing. In this paper, we explore a technique for robots to estimate the materials of objects using spectroscopy. We d…

We present a learning-based system for rapid mass-scale material synthesis that is useful for novice and expert users alike. The user preferences are learned via Gaussian Process Regression and can be easily sampled for new recommendations. Typically, each recommendation takes 40-60 seconds to render with global illumi…

New algorithm improves materials discovery using max K-Armed Bandit.

The paper introduces new uniformity and homogeneity concepts for Cosserat media.

FlowLLM uses LLMs and flow matching to efficiently generate novel materials.

Lie groupoids and their associated algebroids arise naturally in the study of the constitutive properties of continuous media. Thus, Continuum Mechanics and Differential Geometry illuminate each other in a mutual entanglement of theory and applications. Given any material property, such as the elastic energy or an inde…

Computational materials screening studies require fast calculation of the properties of thousands of materials. The calculations are often performed with Density Functional Theory (DFT), but the necessary computer time sets limitations for the investigated material space. Therefore, the development of machine learning …

4-dim intrinsic (material) Riemannian metric $G$ of the material 4-D space-time continuum $P$ is utilized as the characteristic of the aging processes developing in the material. Manifested through variation of basic material characteristics such as density, moduli of elasticity, yield stress, strength, and toughness.,…

In this study, we establish a basis for selecting similarity measures when applying machine learning techniques to solve materials science problems. This selection is considered with an emphasis on the distinctiveness between materials that reflect their nature well. We perform a case study with a dataset of rare-earth…

Method reveals dissimilarity in alloys' Curie temperatures.

We propose a machine learning approach to address a key challenge in materials science: predicting how fractures propagate in brittle materials under stress, and how these materials ultimately fail. Our methods use deep learning and train on simulation data from high-fidelity models, emulating the results of these mode…

We enhance autonomous materials research with problem-aware models.

Study material evolution using groupoids to track intrinsic properties.

A new method optimizes material discovery by balancing exploration and exploitation.

Material recognition enables robots to incorporate knowledge of material properties into their interactions with everyday objects. For example, material recognition opens up opportunities for clearer communication with a robot, such as "bring me the metal coffee mug", and recognizing plastic versus metal is crucial whe…

New geometric model explains material evolution in morphogenesis.

Although Bayesian Optimization (BO) has been employed for accelerating materials design in computational materials engineering, existing works are restricted to problems with quantitative variables. However, real designs of materials systems involve both qualitative and quantitative design variables representing materi…

Microstructures of a material form the bridge linking processing conditions - which can be controlled, to the material property - which is the primary interest in engineering applications. Thus a critical task in material design is establishing the processing-structure relationship, which requires domain expertise and …

The discovery of processes for the synthesis of new materials involves many decisions about process design, operation, and material properties. Experimentation is crucial but as complexity increases, exploration of variables can become impractical using traditional combinatorial approaches. We describe an iterative met…

Physics-constrained GP predicts material states under shockwave conditions.

New Bayesian optimization models for efficient material screening.

Computer model calibration typically operates by choosing parameter values in a computer model so that the model output faithfully predicts reality. By using performance targets in place of observed data, we show that calibration techniques can be repurposed to wed engineering and material design, two processes that ar…

Framework automates microstructure image analysis for materials science.

GAICF proposes a framework for governing generative AI in banking.

Robot science discovers new materials faster.

Developing accurate, transferable and computationally inexpensive machine learning models can rapidly accelerate the discovery and development of new materials. Some of the major challenges involved in developing such models are, (i) limited availability of materials data as compared to other fields, (ii) lack of unive…

GAICF proposes a framework for managing generative AI risks in banking.

Material scientists are increasingly adopting the use of machine learning (ML) for making potentially important decisions, such as, discovery, development, optimization, synthesis and characterization of materials. However, despite ML's impressive performance in commercial applications, several unique challenges exist …

Study on materials with disclinations, limiting their size.