A locally-built, LLM-digested index of recent arXiv papers in quant finance, geometry/topology, and statistical ML — keyword search served straight from SQLite on this machine.
Unified framework for non-uniform materials evolving over time.
A groupoid called material groupoid is naturally associated to any simple body . 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…
The paper introduces new uniformity and homogeneity concepts for Cosserat media.
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 stru…
Study on materials with disclinations, limiting their size.
Associated to each material body there exists a groupoid consisting of all the material isomorphisms connecting the points of . The uniformity character of is reflected in the properties of : is uniform if,…
New geometric model explains material evolution in morphogenesis.
Metric anomalies arising from a distribution of point defects (intrinsic interstitials, vacancies, point stacking faults), thermal deformation, biological growth, etc. are well known sources of material inhomogeneity and internal stress. By emphasizing the geometric nature of such anomalies we seek their representation…
A Lie groupoid, called \textit{second-order non-holonomic material Lie groupoid}, is associated in a natural way to any Cosserat media. This groupoid is used to give a new definition of homogeneity which does not depend on a reference crystal. The corresponding Lie algebroid, called \textit{second-order non-holonomic m…
We discuss several issues regarding material homogeneity and strain compatibility for materially uniform thin elastic shells from the viewpoint of a 3-dimensional theory, with small thickness, as well as a 2-dimensional Cosserat theory. A relationship between inhomogeneity and incompatibility measures under the two des…
The notions of uniformity and homogeneity of elastic materials are reviewed in terms of Lie groupoids and frame bundles. This framework is also extended to consider the case Functionally Graded Media, which allows us to obtain some homogeneity conditions.
Bayesian framework for identifying localized regions of interest in dynamical systems.
Paper proposes a new method for designing materials using deep learning.
In a recent paper, the authors proved that no spin foliation on a compact enlargeable manifold with Hausdorff homotopy graph admits a metric of positive scalar curvature on its leaves. This result extends groundbreaking results of Lichnerowicz, Gromov and Lawson, and Connes on the non-existence of metrics of positive s…
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…
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.
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 of the material 4-D space-time continuum 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.
GOAT improves attention mechanisms by learning better priors.
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…
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.
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…
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 …
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. …
Bayesian optimization reduces materials design costs by 10x.
Study uses Bayesian Optimization to analyze noise effects in materials research.
Leveraging new data sources is a key step in accelerating the pace of materials design and discovery. To complement the strides in synthesis planning driven by historical, experimental, and computed data, we present an automated method for connecting scientific literature to synthesis insights. Starting from natural la…
Recent uses of differential geometry in materials science are reviewed here, in particular the September issue of the Phil. Trans. Royal Soc., entitled ``Curvature and chemical Structure.''
Meta-materials simulation sped up with energy surrogates.