Study improves materials discovery for high-entropy alloys using sparse linear models.
problem Inefficient materials discovery due to combinatorial explosion in alloy compositions.
method Sparse mixed linear modeling with anchor-based guidance for feature selection and prediction.
result Developed a method that balances predictive performance and interpretability for materials discovery.
Study predicts configurational energy of high entropy alloys using Bayesian methods.
problem Accurately predict the configurational energy of high entropy alloys with limited data.
method Robust data-driven framework based on Bayesian approaches, including effective pair interaction (EPI) model and ensemble sampling.
result Effective prediction of configurational energy with small data, demonstrating robust performance.
ML predicts alloy properties considering chemistry, processing, and data transformations.
problem Designing and predicting alloy properties in high-dimensional design space.
method Physics-informed machine learning with engineered features from chemistry and heat treatment.
result ML models accurately predict alloy properties, including hysteresis in shape memory alloys.
Deep-learning CNN automates Cu alloy grain size evaluation.
problem Automating the evaluation of Cu alloy grain size to reduce labor and improve accuracy.
method Deep-learning convolutional neural network (CNN) for automated image acquisition and processing.
result Achieved 91.1% classification accuracy on Cu alloy sub-images.
MCML uses ML to study learnability of Alloy properties, showing simple models can perform well but fail on full input space.
problem Empirical study of learnability of relational properties in Alloy.
method MCML combines ML with model counting to evaluate performance on bounded input spaces.
result Simple ML models can achieve high accuracy and F1-score on training/test datasets but fail on full input space, highlighting complexity of learning relational properties.
The need for advanced materials has led to the development of complex, multi-component alloys or solid-solution alloys. These materials have shown exceptional properties like strength, toughness, ductility, electrical and electronic properties. Current development of such material systems are hindered by expensive expe…
Bayesian optimization identifies optimal alloy formulations.
problem Accelerated discovery in materials science with autonomous systems.
method Bayesian optimization over problem formulation space.
result Framework converges on optimal alloy formulations.
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.
HAL accelerates the generation of training sets for accurate interatomic potentials.
problem Generating accurate and transferable interatomic potentials is time-consuming and requires expert input.
method HAL framework using a physically motivated sampler with a biasing term to drive high uncertainty configurations.
result HAL-generated training databases for alloys and polymers predict macroscopic properties with high accuracy.
Study uses AI and ML to predict and optimize corrosion resistance of aluminum alloys.
problem Corrosion resistance of aluminum alloys in marine environments.
method Investigated two ML approaches: direct and inverse, using Random Forest, neural network, and Gaussian Process Regression.
result Gaussian Process Regression with hybrid kernel functions provided superior predictive performance.
Scaling Bayesian optimization to high dimensions is challenging task as the global optimization of high-dimensional acquisition function can be expensive and often infeasible. Existing methods depend either on limited active variables or the additive form of the objective function. We propose a new method for high-dime…
Model predicts EMF of Ni-Mn-Ga MSMA, improved with GRNN.
problem Predicting the electromotive force (EMF) of Ni-Mn-Ga MSMA under various conditions.
method Developed a new constitutive model for Ni-Mn-Ga single crystals, incorporating magnetic easy axis offset. Used GRNN to enhance model predictions.
result GRNN improves model predictions of EMF, capturing more experimental features.
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…
EntProp increases entropy of clean samples to generate out-of-distribution data for better DNN performance.
problem Improving deep neural networks' accuracy and robustness to out-of-distribution data.
method High entropy propagation using data augmentation and free adversarial training.
result EntProp achieves higher standard accuracy and robustness with lower training cost.
New method estimates robust multi-period portfolios using entropy.
problem Lack of general agreement on building robust multi-period portfolios.
method Detrended cluster entropy approach to estimate portfolio weights.
result Portfolio weights are estimated reliably from real-world data at varying time horizons.
MGD combines maximum entropy and diffusion methods for efficient sampling.
problem Generating samples from limited information in high dimensions.
method Moment Guided Diffusion (MGD) using stochastic differential equations.
result MGD efficiently samples maximum entropy distributions in finite time.
In recent years, deep reinforcement learning has been shown to be adept at solving sequential decision processes with high-dimensional state spaces such as in the Atari games. Many reinforcement learning problems, however, involve high-dimensional discrete action spaces as well as high-dimensional state spaces. This pa…
Study predicts price predictability in ultra-high frequency financial data using entropy tests.
problem Tackles predictability of ultra-high frequency financial data.
method Develops statistical tests based on Shannon entropy and Kullback-Leibler divergence to analyze predictability.
result Degree of randomness increases with aggregation level in transaction time.
Improved CEM for fast real-time planning in high-dimensional control tasks.
problem Sampling inefficiency of CEM in real-time planning.
method Novel additions to CEM including temporally-correlated actions and memory.
result 2.7-22x less samples and 1.2-10x performance increase.
The paper proposes a method to identify high-quality financial patterns using entropy.
problem Extracting reliable short-term patterns from noisy financial data.
method Entropy-assisted framework for clustering and pruning patterns.
result High-quality patterns with low local entropy and historical profitability.
We first analyze the integrated density of states (IDS) of periodic Schrödinger operators on an amenable covering manifold. A criterion for the continuity of the IDS at a prescribed energy is given along with examples of operators with both continuous and discontinuous IDS'. Subsequently, alloy-type perturbations of th…
We present a new method of generating mixture models for data with categorical attributes. The keys to this approach are an entropy-based density metric in categorical space and annealing of high-entropy/low-density components from an initial state with many components. Pruning of low-density components using the entro…
A new method for sampling high-dimensional distributions overcomes overfitting.
problem Overfitting in energy-based models during gradient descent.
method Mean-field microcanonical gradient descent, which samples multiple data points simultaneously.
result The method reduces entropy loss while maintaining likelihood fit, improving overfitting issues.
Data-driven anomaly detection methods suffer from the drawback of detecting all instances that are statistically rare, irrespective of whether the detected instances have real-world significance or not. In this paper, we are interested in the problem of specifically detecting anomalous instances that are known to have …
Study curve shortening flow in high dimensions with boundary constraints.
problem Understanding the behavior of curves in high-dimensional spaces with boundary conditions.
method Used curvature and higher-derivative estimates, Stahl-type maximum principle, and blow-up analysis.
result Flow converges to a shrinking semicircle model or has only semicircle boundary singularities in low entropy regimes.
The study optimizes distribution estimation from samples with relative entropy error, adapting to sparse distributions.
problem Estimating discrete distributions with high-probability accuracy in relative entropy.
method Analysis of Laplace estimator and confidence-dependent smoothing techniques, including data-dependent smoothing.
result Optimal high-probability risk bounds for various estimators, including a new data-dependent smoothing method.
Entropy regularization improves power k-means for high-dimensional data.
problem Power k-means' tendency to get stuck in local minima and performance in high dimensions.
method Entropy regularization to learn feature relevance, combined with majorization-minimization algorithm.
result Consistent learning and scalable algorithm with closed-form updates and convergence guarantees.
Market entropy analysis reveals horizon dependence in asset prices.
problem Quantifying horizon dependence of asset prices in high-frequency data.
method Cluster entropy approach to quantify price dynamics over different temporal horizons.
result Systematic dependence of cluster entropy and Market Dynamic Index on temporal horizon.
MIM learns joint distributions with mutual information and low divergence.
problem Learning joint distributions over observations and latent variables.
method Probabilistic auto-encoder with three design principles: low divergence, high mutual information, and low marginal entropy.
result MIM learns representations with high mutual information, consistent encoding and decoding distributions, effective latent clustering, and comparable data log likelihood to VAE.
Efficiently constructs sparse ROMs for high-dimensional data using causation entropy.
problem Creating effective reduced-order models for high-dimensional dynamical data.
method Uses causation entropy to identify important terms and construct ROMs with varying sparsity.
result Demonstrates the effectiveness of causation entropy in constructing sparse ROMs for chaotic systems with skewed statistics.
DE-QT detects optimal Q-learning stopping points.
problem Information loss in Q-learning during prolonged training.
method Introducing DE-QT to detect entropy changes in Q-tables.
result DE-QT identifies the best stopping point for Q-learning.
The paper examines robustness of topological entropy in geodesic flows.
problem Entropy robustness in geodesic flows under C0 perturbations. method Study of topological entropy on Riemannian metrics with C0 topology. result Metrics with contractible closed geodesics have robust entropy.
Theoretical analysis of entropy approximation for Gaussian mixtures.
problem Lack of theoretical guarantees for entropy approximation of Gaussian mixtures.
method Theoretical analysis of the error between true and approximate entropy.
result The error converges to zero as the ratios of means to variances tend to infinity, providing a guarantee for high-dimensional problems.
A new HL-SVR approach handles unequal sample sizes in SVR for engineering data modeling.
problem SVR assumes equal sample sizes, but unequal sizes are common in engineering.
method HL-SVR combines low-level SVR for larger samples and high-level SVR for smaller samples.
result HL-SVR produces more accurate predictions than conventional SVR.
The intrinsic entropy model accurately estimates stock market volatility.
problem Accurately estimating historical volatility of stock market indices.
method Incorporates traded volumes alongside OHLC prices in daily data.
result Intrinsic entropy model delivers reliable estimates with lower coefficient of variation.
Curve shortening flow converges to a point with entropy bound.
problem Analyzing the behavior of curves under shortening flow near singularities.
method Analyzes blow-up limits and uses entropy bounds to prove convergence.
result Initial curves with entropy bound converge to a round point in finite time.
A new algorithm learns diverse policies in reinforcement learning.
problem Learning diverse behaviors in reinforcement learning.
method Proposes Maximum Entropy Diverse Exploration (MEDE) algorithm.
result The set of policies learned by MEDE capture the same modalities as the optimal maximum entropy policy.
Inspired by work of Colding-Minicozzi on mean curvature flow, Zhang introduced a notion of entropy stability for harmonic map flow. We build further upon this work in several directions. First we prove the equivalence of entropy stability with a more computationally tractable F-stability. Then, focusing on t…
New method finds graphene nanocrystals with reduced DFT calculations.
problem Efficiently discovering materials with desired properties in high-dimensional chemical space.
method Bayesian optimization with neural network kernel to minimize DFT calculations.
result Reduced computational cost by 20% for discovering materials with target properties.
Improved sampling from complex distributions with reduced bias.
problem Reducing bias in high-dimensional sampling algorithms.
method Hierarchical entropy analysis to weaken assumptions and expand scope.
result Bias reduction in low-dimensional marginals scales with lower dimension, not full dimension.
We investigate the relative information efficiency of financial markets by measuring the entropy of the time series of high frequency data. Our tool to measure efficiency is the Shannon entropy, applied to 2-symbol and 3-symbol discretisations of the data. Analysing 1-minute and 5-minute price time series of 55 Exchang…
Paper proposes a policy-search algorithm to learn entropy-maximizing exploration policies in reward-free environments.
problem Reward-free learning in high-dimensional, continuous-control domains.
method Maximum Entropy POLicy optimization (MEPOL) algorithm that maximizes a non-parametric state entropy estimate.
result MEPOL learns a maximum-entropy exploration policy that facilitates learning various reward-based tasks.
AdaDEM decouples EM into two parts to improve class overlap and uncertainty.
problem Improper EM limits its effectiveness in various machine learning tasks.
method Decouple EM into CADF and GMC, and AdaDEM normalizes CADF reward and uses MEC.
result AdaDEM outperforms classical EM and improves performance in noisy and dynamic environments.
A new fuzzy k-means algorithm for high-dimensional data with variable feature weights.
problem Clustering high-dimensional data with varying feature significance.
method Proposes a modified fuzzy k-means algorithm using two entropy terms to weight features.
result Improved clustering performance on various datasets compared to state-of-the-art methods.
A neural network method estimates entropy production from system trajectories.
problem Estimating entropy production from system trajectories without detailed dynamics.
method Developed a neural estimator (NEEP) for entropy production (EP).
result NEEP rigorously proves to provide stochastic EP by optimizing an objective function.
Paper presents estimators for entropy and information in probabilistic models.
problem Estimating entropy and mutual information in high dimensions is challenging.
method EEVI uses importance sampling with proposal distributions like amortized variational inference and sequential Monte Carlo.
result EEVI delivers accurate upper and lower bounds on information quantities.
ED-VAE improves VAEs by explicitly including entropy components in ELBO.
problem Limitations of traditional VAEs with ELBO in generating high-quality samples and interpreting latent spaces.
method Introduces ED-VAE, a re-formulation of ELBO that includes entropy and cross-entropy components.
result Significantly enhances model flexibility and improves interpretability and generative performance.
In this paper we present a new approach for tightening upper bounds on the partition function. Our upper bounds are based on fractional covering bounds on the entropy function, and result in a concave program to compute these bounds and a convex program to tighten them. To solve these programs effectively for general r…