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.
Paper proposes a new method for designing materials using deep learning.
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…
New geometric model explains material evolution in morphogenesis.
FlowLLM uses LLMs and flow matching to efficiently generate novel materials.
A new method distills material models from noisy data without prior selection.
Optimizes material distribution on surfaces using topological derivatives.
Machine learning uncovers hidden correlations in granular material behavior.
The paper introduces new uniformity and homogeneity concepts for Cosserat media.
A field theory is constructed in the context of parameterized absolute parallelism geometry. The theory is shown to be a pure gravity one. It is capable of describing the gravitational field and a material distribution in terms of the geometric structure of the geometry used (the parallelization vector fields). Three t…
Study on materials with disclinations, limiting their size.
Method reveals dissimilarity in alloys' Curie temperatures.
CGD improves diffusion models' out-of-distribution generalization.
FlowMM models stable crystal structures efficiently.
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,…
Method detects effects of synthesis parameters on plutonium oxide microstructure.
We introduce novel communication strategies in synchronous distributed Deep Learning consisting of decentralized gradient reduction orchestration and computational graph-aware grouping of gradient tensors. These new techniques produce an optimal overlap between computation and communication and result in near-linear sc…
Gradient-based training and pruning for radial basis function networks in materials physics.
ML PCA detects phase transitions in muon spectroscopy data.
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…
Framework uses diffusion models to infer material properties from noisy mechanical measurements.
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…
Bayesian neural networks predict stress fields and uncertainty in materials.
RG-VFM extends VFM to curved manifolds for better material and protein design.
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…
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…
PANIS learns PDE surrogates for heterogeneous materials without solving the PDE.
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…
Paper tackles robust prediction of nuclear reactor materials under scarce data.
Gryffin optimizes categorical variables in materials design, leveraging expert knowledge.
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.
In this paper we formulate a geometric theory of the mechanics of growing solids. Bulk growth is modeled by a material manifold with an evolving metric. Time dependence of metric represents the evolution of the stress-free (natural) configuration of the body in response to changes in mass density and "shape". We show t…
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…
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…
Structural variants compose the majority of human genetic variation, but are difficult to assess using current genomic sequencing technologies. Optical mapping technologies, which measure the size of chromosomal fragments between labeled markers, offer an alternative approach. As these technologies mature towards becom…
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…
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…
A key problem in computational material science deals with understanding the effect of material distribution (i.e., microstructure) on material performance. The challenge is to synthesize microstructures, given a finite number of microstructure images, and/or some physical invariances that the microstructure exhibits. …
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 …