Reduced order modeling of energetic materials using physics-aware neural networks.
problem Simulating complex spatiotemporal dynamics in energetic materials.
method Physics-aware recurrent convolutions (PARC) combined with latent space projection to accelerate model training and inference.
result Significant decrease in training and inference time with comparable accuracy.
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.
Bayesian Entropy Neural Networks enforce constraints on deep learning predictions.
problem Deep learning models lack well-defined constraints in their outputs.
method Bayesian Entropy Neural Networks (BENN) using Maximum Entropy principles and the method of multipliers.
result BENN improves model robustness and reliability across various applications.
Gaussian processes enhance EO with accurate and uncertain predictions.
problem Challenges in GP models for EO, including data-driven physics and causal inference.
method Data-driven physics-aware models respecting signal characteristics and physical laws.
result GP models need to evolve for better EO applications.
Framework uses physics knowledge to improve spatiotemporal prediction with limited data.
problem Challenges in modeling physical systems with limited real-world data.
method Physics-aware meta-learning with auxiliary tasks, incorporating PDE-independent spatial and temporal modules.
result Framework outperforms in spatiotemporal prediction tasks with limited data.
The paper develops a physics-aware method for modeling multiscale dynamics with reduced data.
problem Discovering effective, lower-dimensional models for high-dimensional dynamical systems.
method Probabilistic deep neural networks incorporating physical constraints.
result The method reduces the need for extensive multiscale simulations (Small Data regime).
Unified framework for forward and inverse PDE problems in multiphase media.
problem Non-differentiable inverse problems in discrete-valued material fields.
method GenPANIS: Latent-variable generative framework preserving discrete microstructures.
result Unified bidirectional inference with minimal labeled pairs and physics-aware decoder.
Compact models learn photocurrent dynamics from radiation-induced excess carrier density.
problem Accurate but computationally expensive physics-based photocurrent models for semiconductor devices.
method Dynamic Mode Decomposition (DMD) for learning reduced order models from internal state data.
result Physics-aware, compact delayed photocurrent models accurately approximate internal excess carrier dynamics.
Molecular machine learning has been maturing rapidly over the last few years. Improved methods and the presence of larger datasets have enabled machine learning algorithms to make increasingly accurate predictions about molecular properties. However, algorithmic progress has been limited due to the lack of a standard b…
The automated construction of coarse-grained models represents a pivotal component in computer simulation of physical systems and is a key enabler in various analysis and design tasks related to uncertainty quantification. Pertinent methods are severely inhibited by the high-dimension of the parametric input and the li…
Generative framework learns effective, lower-dimensional models from high-dimensional data.
problem Predicting long-term behavior of complex, multiscale systems with limited data.
method Physics-aware probabilistic model order reduction with latent variables.
result Guaranteed long-term stability and predictive accuracy in multiscale physical systems.
Single model learns physics from diverse data.
problem Lack of universal physics models for diverse applications.
method General Physics Transformer (GPhyT) trained on diverse physics data.
result Single model achieves superior performance across multiple physics domains.
A GPU-based workflow for building physics emulators of hypersonic flows
problem Resolving complex physical phenomena in hypersonic flows
method Fully GPU-based workflow integrating accelerated data generation and neural emulators
result Physics emulators remain reliable beyond their training distribution
Proposes a transformer model with geostatistical inductive bias for spatio-temporal forecasting.
problem Combining probabilistic rigor of geostatistics with flexible deep learning representations.
method Spatially-informed transformer with learnable covariance kernel.
result Successfully recovers spatial decay parameters end-to-end via backpropagation.
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. …
Physics-informed neural networks improve surrogate modeling of turbulent Rayleigh-Bénard convection.
problem Modeling turbulent Rayleigh-Bénard convection with high accuracy and efficiency.
method Physics-informed neural networks (PINNs) with novel padding and regularization techniques.
result Significantly improved predictive accuracy of surrogate models at high Rayleigh numbers Ra = 2 × 10^9.
This work develops machine learning for micromagnetic energy minimization.
problem Minimizing Gibbs free energy in full 3D micromagnetic simulations.
method Advanced machine learning techniques, including Physics-Informed Neural Networks (PINNs) and Extreme Learning Machines (ELMs), with reformulated bounds and optimization schemes.
result Competitive performance of machine learning methods compared to traditional numerical approaches.
Fuzzy prediction sets generalize binary predictions to include elements at varying confidence levels.
problem Binary prediction sets are limited; fuzzy prediction sets offer richer guarantees.
method Generalize prediction sets to fuzzy sets, showing they are e-values with merging properties.
result Optimal e-values lead to optimal fuzzy prediction sets, including optimal conformal prediction.
This paper re-examines conformal e-prediction and its advantages over conformal prediction.
problem The relationship between conformal prediction and conformal e-prediction.
method Systematic re-examination of conformal prediction and conformal e-prediction from a modern perspective.
result Conformal e-prediction has advantages such as ease of designing conditional predictors and guaranteed validity of cross-predictors.
Self-calibrating conformal prediction improves interval efficiency and offers a practical alternative.
problem Improving the reliability and uncertainty quantification of machine learning predictions.
method Combines Venn-Abers calibration and conformal prediction for binary and regression problems.
result Improves interval efficiency through model calibration and offers practical alternatives.
Study uses deep learning to predict asset prices, finds complex target processes lead to meaningless predictions.
problem Complexity of successful price prediction models hinders understanding.
method Deep learning models for high-frequency price prediction, focusing on volatility and directional prediction.
result Inadequately defined target price process renders predictions meaningless.
The paper emphasizes the importance of joint predictions over marginal predictions for decision-making.
problem The need for accurate joint predictions in decision-making problems.
method The paper analyzes combinatorial decision problems, sequential predictions, and multi-armed bandits, introducing an approximate Thompson sampling algorithm and new regret bounds.
result Accurate joint predictions are essential for good performance in decision-making problems.
Behavior modification improves prediction accuracy by nudging user behavior.
problem Improving prediction accuracy using behavior modification techniques.
method Combining prediction and behavior modification with reinforcement learning algorithms.
result Behavior modification can make predictions more certain but may not generalize.
Conformal predictive systems are a recent modification of conformal predictors that output, in regression problems, probability distributions for labels of test observations rather than set predictions. The extra information provided by conformal predictive systems may be useful, e.g., in decision making problems. Conf…
Predictions can shape outcomes, study helps predict these effects.
problem Understanding how predictions influence real-world outcomes.
method Causal identifiability analysis of prediction-covariate-outcome relationships.
result Standard supervised learning can identify transferable relationships from predictions.
Prediction problems often admit competing models that perform almost equally well. This effect challenges key assumptions in machine learning when competing models assign conflicting predictions. In this paper, we define predictive multiplicity as the ability of a prediction problem to admit competing models with confl…
Proposes feature conformal prediction for broader application in semantic feature spaces.
problem Establishing valid prediction intervals in semantic feature spaces.
method Extends conformal prediction to semantic feature spaces using deep representation learning.
result Feature conformal prediction outperforms regular conformal prediction under mild assumptions.
Acute kidney injury (AKI) commonly occurs in hospitalized patients and can lead to serious medical complications. In order to optimally predict AKI before it develops at any time during a hospital stay, we present a novel framework in which AKI is continually predicted automatically from EHR data over the entire hospit…
AutoCP automates the construction of accurate prediction intervals.
problem Creating valid and accurate prediction intervals for machine learning models.
method AutoML framework that optimizes prediction interval length for better accuracy and less conservatism.
result AutoCP significantly outperforms benchmark algorithms in constructing accurate prediction intervals.
Proposes a method to apply conformal prediction to probabilistic time series forecasting models.
problem Obtaining accurate prediction regions for multi-step time series forecasting with probabilistic models.
method Conformalises conditional normalising flows to generate potentially disjoint prediction regions.
result Improves predictive efficiency in time series forecasting with multimodal distributions.
ICP improves prediction intervals for continuous outcomes at lower computational cost.
problem Systematic bias in point predictions that undermines their use in decision-making.
method Develops Isotonic Conformal Prediction (ICP) framework to decouple calibration from prediction-set construction.
result SICP and TICP procedures match SC-CP coverage at lower computational cost.
Optimizes predictions for specific tasks using parametrized decision analysis.
problem Optimizing predictions for specific decision tasks of interest.
method Designs a class of parametrized actions for Bayesian decision analysis.
result Derives efficient and interpretable solutions for various action parametrizations and loss functions.
New measures for prediction validity and consonant plausibility introduced.
problem Challenges in predicting future observations and quantifying prediction uncertainty.
method Introducing Type-2 validity and using consonant plausibility measures and conformal prediction.
result Achieving both Type-1 and Type-2 validity through consonant plausibility measures and conformal prediction.
RFpredInterval package builds prediction intervals for random forests and boosted forests.
problem Quantifying uncertainty in random forest and boosted forest point predictions.
method 16 methods to build prediction intervals with random forests and boosted forests.
result The proposed method outperforms existing methods in building prediction intervals.
FPPI selectively uses predictions to improve inference efficiency.
problem Improving statistical inference with limited labeled data and heterogeneous prediction quality.
method Filtered Prediction-Powered Inference (FPPI) framework.
result FPPI achieves strictly improved asymptotic efficiency compared to existing methods.
COP improves online conformal prediction by incorporating data patterns, leading to tighter prediction sets.
problem Overly conservative prediction sets in online conformal prediction methods when data distribution shifts.
method Conformal Optimistic Prediction (COP) incorporating estimated cumulative distribution function of non-conformity scores.
result COP produces tighter prediction sets with valid coverage guarantees, outperforming other methods.
Unified framework for estimating random forest prediction errors.
problem Estimating prediction errors for random forests.
method Novel estimator of conditional prediction error distribution function.
result Proposed estimators enable competitive prediction intervals.
Most existing examples of full conformal predictive systems, split-conformal predictive systems, and cross-conformal predictive systems impose severe restrictions on the adaptation of predictive distributions to the test object at hand. In this paper we develop split-conformal and cross-conformal predictive systems tha…
This paper studies trade-offs in private prediction methods.
problem Leakage of training data information in machine learning predictions.
method Private training and private prediction methods with trade-offs.
result Private training methods outperform private prediction methods in various settings.
Conformal prediction helps quantify uncertainty but its use by humans is unclear.
problem Uncertainty quantification in predictions for human decision making.
method Decision theoretic framework for evaluating predictive uncertainty.
result Conformal prediction sets and human decision making goals are in tension.
New tree splitting criteria improve probabilistic predictions.
problem Improving tree-based nonparametric predictive distributions.
method Using proper scoring rules for tree splitting criteria.
result Trees with new splitting criteria produce better predictive distributions.
Prediction is arguably one of the most basic functions of an intelligent system. In general, the problem of predicting events in the future or between two waypoints is exceedingly difficult. However, most phenomena naturally pass through relatively predictable bottlenecks---while we cannot predict the precise trajector…
New method improves predictive systems with better theoretical guarantees.
problem Constructing predictive systems with out-of-sample calibration guarantees.
method Residual Distribution Predictive Systems (RDPs) that nest conformal predictive systems and offer flexibility.
result Empirically, RDPs perform competitively with conformal predictive systems and can be implemented with various regression methods.
Paper introduces PCP for efficient, reliable predictive inference.
problem Developing reliable predictive inference methods for target variables.
method Probabilistic conformal prediction using conditional random samples.
result PCP provides sharper predictive sets compared to existing methods.
A framework for private prediction sets using conformal prediction and differential privacy.
problem Jointly addressing reliability and privacy in machine learning predictions.
method Split conformal prediction with privatized quantile subroutine.
result Private prediction sets can be generated from privately-trained models.
Variational Prediction simplifies Bayesian inference without test time costs.
problem Bayesian inference's computational costs and posterior predictive distribution marginalization.
method Variational Prediction learns a variational approximation to the posterior predictive distribution using a variational bound.
result Directly learns a variational approximation to the posterior predictive distribution without test time marginalization costs.
Paper uses GNN and conformal prediction for accurate edge weight prediction.
problem Predicting edge weights on graphs for various applications.
method Graph Neural Network (GNN) with conformal prediction and error reweighting.
result Our method provides better coverage and efficiency than baselines.
Conformal Prediction is a machine learning methodology that produces valid prediction regions under mild conditions. In this paper, we explore the application of making predictions over multiple data sources of different sizes without disclosing data between the sources. We propose that each data source applies a trans…