Detecting and mapping informal settlements encompasses several of the United Nations sustainable development goals. This is because informal settlements are home to the most socially and economically vulnerable people on the planet. Thus, understanding where these settlements are is of paramount importance to both gove…
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48 results for “material information”
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…
Cost-effective search for lower-error region in material parameter space using multifidelity Gaussian process modelingcond-mat.mtrl-sci
Efficiently estimates material parameter space with multifidelity Gaussian process modeling.
problem Estimating a region of material parameter space with similar precipitate shapes.
method Multifidelity Gaussian process modeling to reduce computational cost.
result Significant reduction in sampling cost for accurate LER estimation.
Gradient-based training and pruning for radial basis function networks in materials physics.
problem Interpretable and robust machine learning for materials physics problems.
method Gradient-based training and pruning of radial basis function networks with closed-form optimization criteria.
result Pruned models provide compact and interpretable versions of larger models, offering insights into atom-level migration processes.
Materials property prediction using symmetry-labeled graphs as atomic-position independent descriptorscond-mat.mtrl-sci
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 …
Despite increasing focus on data publication and discovery in materials science and related fields, the global view of materials data is highly sparse. This sparsity encourages training models on the union of multiple datasets, but simple unions can prove problematic as (ostensibly) equivalent properties may be measure…
Discovering novel materials can be greatly accelerated by iterative machine learning-informed proposal of candidates---active learning. However, standard \emph{global-scope error} metrics for model quality are not predictive of discovery performance, and can be misleading. We introduce the notion of \emph{Pareto shell-…
Physics-constrained GP predicts material states under shockwave conditions.
problem Predicting material states under extreme shockwave conditions.
method Physics-constrained Gaussian Process regression with Rankine-Hugoniot constraints.
result Reproduces Hugoniot curves with satisfactory accuracy and uncertainty quantification.
We introduce Bayesian optimization, a technique developed for optimizing time-consuming engineering simulations and for fitting machine learning models on large datasets. Bayesian optimization guides the choice of experiments during materials design and discovery to find good material designs in as few experiments as p…
Discovering material information using hierarchical Reformer model on financial regulatory filingsq-fin.ST
Model predicts trade volume changes from financial filings.
problem Improving financial market understanding through machine learning.
method Hierarchical Reformer model trained on SEDAR filings.
result Model can predict trade volume changes without explicit training.
We investigated publicly reported security breaches of internal controls in corporate systems to determine whether SOX assessments are information bearing with respect to breaches which can lead to materially significant losses and misstatements. SOX Section 404 adverse decisions on effectiveness of controls occurred i…
PCA improves detection of phase transitions in muon spectroscopy data from various materials.
problem Subtle changes in asymmetry function indicate phase transitions, but existing methods require material-specific knowledge.
method Applied unsupervised PCA to muon spectroscopy asymmetry data from multiple materials.
result PCA can recover phase transition indicators and improve detection of material-specific variations.
Materials design can be cast as an optimization problem with the goal of achieving desired properties, by varying material composition, microstructure morphology, and processing conditions. Existence of both qualitative and quantitative material design variables leads to disjointed regions in property space, making the…
Unified framework for non-uniform materials evolving over time.
problem Dealing with non-uniform materials evolving over time.
method Constructing a material groupoid and material distribution.
result Unified framework for general non-uniform evolution materials.
Modeling coating degradation with fewer data points.
problem Efficiently forecasting material degradation from high-frequency sensor data.
method Discrete degradation events using Hawkes processes.
result Forecasting future coating failure with superior performance.
Machine Learning approach to muon spectroscopy analysiscond-mat.mtrl-sci
ML PCA detects phase transitions in muon spectroscopy data.
problem Detecting phase transitions in materials using muon spectroscopy data.
method Unsupervised Machine Learning (PCA) applied to asymmetry functions.
result PCA method effectively detects phase transitions in muon spectroscopy experiments.
Neural Message Passing with Edge Updates for Predicting Properties of Molecules and Materialsstat.ML
Neural message passing on molecular graphs is one of the most promising methods for predicting formation energy and other properties of molecules and materials. In this work we extend the neural message passing model with an edge update network which allows the information exchanged between atoms to depend on the hidde…
Data-driven topology design using a deep generative modelphysics.comp-ph
Paper proposes a new method for designing materials using deep learning.
problem Designing high-performance material distributions from given distributions.
method Iterative process of selecting, generating, and merging material distributions using a deep generative model.
result The method improves material performance through iterative refinement.
Simultaneous Monitoring of Shape and Surface Color via 4D Point Clouds: A Registration-free Approachcs.CV
A registration-free framework monitors shape and color in 4D point clouds.
problem Monitoring shape and color changes in complex parts without registration.
method Laplace-Beltrami operator spectral properties for geometric and color feature capture; combined monitoring scheme for shape and color anomalies.
result Effective detection of shape deformations and color anomalies without registration or mesh reconstruction.
PANIS learns PDE surrogates for heterogeneous materials without solving the PDE.
problem Learning surrogates for parametrized PDEs in heterogeneous media.
method Physics-aware neural implicit solvers combining probabilistic learning and physics-informed discretization.
result Learned surrogates for effective solutions in heterogeneous materials without solving the reference problem.
Paper tackles robust prediction of nuclear reactor materials under scarce data.
problem Challenges of data scarcity and uncertainty in nuclear reactor design.
method Meta-learning approach informed by uncertainty and prior knowledge.
result Achieves superior performance in rupture life prediction.
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…
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…
In this work, we develop Gaussian process regression (GPR) models of hyperelastic material behavior. First, we consider the direct approach of modeling the components of the Cauchy stress tensor as a function of the components of the Finger stretch tensor in a Gaussian process. We then consider an improvement on this a…
Microscopic (pore-scale) properties of porous media affect and often determine their macroscopic (continuum- or Darcy-scale) counterparts. Understanding the relationship between processes on these two scales is essential to both the derivation of macroscopic models of, e.g., transport phenomena in natural porous media,…
Gemini uses inexpensive measurements to correct biases in expensive property evaluations.
problem Accurate estimation of materials properties using expensive measurements is hindered in scientific discovery campaigns.
method Gemini is a data-driven model that corrects systematic biases between property evaluation methods using inexpensive measurements.
result Gemini reduces the number of expensive evaluations needed for Bayesian optimization in materials discovery.
Gryffin optimizes categorical variables in materials design, leveraging expert knowledge.
problem Optimizing categorical variables in complex design choices like molecule selection.
method Bayesian optimization with smooth approximations to categorical distributions, incorporating expert knowledge.
result Gryffin accelerates discovery of promising molecules and materials, highlighting relevant correlations.
FCM clustering adapts to persistence diagrams for topological data analysis.
problem Integrating topological data into machine learning workflows.
method Adapting Fuzzy c-Means to persistence diagrams.
result FCM clustering captures topological structure without additional processing.
Lie groupoids and algebroids applied to the study of uniformity and homogeneity of material bodiesmath.DG
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…
Microstructure Representation and Reconstruction of Heterogeneous Materials via Deep Belief Network for Computational Material Designcond-mat.mtrl-sci
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…
Deep RL optimizes processing paths to desired material structures.
problem Optimizing processing paths to achieve desired material properties.
method Deep reinforcement learning guided by structure representations and reward signals.
result Algorithm learns to find optimal paths to target structures in material space.
Geometric GNNs model 3D atomic systems with rotations and translations.
problem Modeling 3D atomic systems with geometric graphs and machine learning.
method Invariant, equivariant, and unconstrained GNN architectures.
result Geometric GNNs leverage physical symmetries and chemical properties.
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…
Data-Informed Decomposition for Localized Uncertainty Quantification of Dynamical Systemsphysics.comp-ph
Bayesian framework for identifying localized regions of interest in dynamical systems.
problem Identifying regions of high-resolution uncertainty quantification in complex dynamical systems.
method Bayesian inference with Gaussian process surrogate and polynomial chaos expansion.
result Unified computational scheme reduces overall cost for uncertainty quantification.
Dematerialization is the reduction in the quantity of materials needed to produce something useful over time. Dematerialization fundamentally derives from ongoing increases in technical performance but it can be counteracted by demand rebound - increases in usage because of increased value (or decreased cost) that also…
New algorithm improves materials discovery using max K-Armed Bandit.
problem Maximizing material breakthroughs in materials discovery.
method Proposed a search algorithm based on max K-Armed Bandit (MKB) for materials discovery.
result Stable performance in late search stages, outperforming other bandit algorithms.
New method uses machine learning to analyze catalyst reactions.
problem Understanding complex reaction mechanisms in catalytic materials.
method Combining transient kinetics and machine learning.
result Correct estimates of micro-kinetic coefficients and mechanism.
XGBoost detects unlawful insider trading with high accuracy.
problem Detecting unlawful insider trading from large volumes of transactions.
method Applying eXtreme Gradient Boosting (XGBoost) for identifying and ranking key features.
result XGBoost achieves 97% accuracy in detecting unlawful transactions.
The paper introduces new uniformity and homogeneity concepts for Cosserat media.
problem Characterizing uniformity and homogeneity in Cosserat media.
method Using groupoids and smooth distributions, the authors derive three canonical equations to characterize uniformity and homogeneity.
result The paper provides a unique and maximal division of Cosserat media into uniform and second-grade parts.
FlowLLM: Flow Matching for Material Generation with Large Language Models as Base Distributionscs.LG
FlowLLM uses LLMs and flow matching to efficiently generate novel materials.
problem Challenging material discovery due to vast chemical space.
method Combines LLMs and Riemannian flow matching to design novel crystalline materials.
result Significantly increases generation rate of stable materials and unique crystals.
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…
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.,…
Study uses neural networks to predict firm earnings, outperforming benchmarks and analysts.
problem Limited coverage and biased estimates by financial analysts.
method Developed a neural network model using 40 years of financial data.
result Model outperforms benchmarks and analysts' forecasts for fiscal-year-end earnings predictions.
Physics-informed GANs estimate elastic moduli from mechanical tests.
problem Estimating spatially-varying elastic moduli from measured deformations.
method Physics-informed Generative Adversarial Networks (PI-GANs) with PDE constraints.
result Generated stiffness samples match true distribution statistics.
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.
problem Tackles the dissimilarity between rare-earth transition metal binary alloys.
method Ensemble learning with Kernel ridge regression.
result Reveals meaningful relations between alloys' structure and Curie temperature.
Learning to fail: Predicting fracture evolution in brittle material models using recurrent graph convolutional neural networkscond-mat.mtrl-sci
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…