Paper introduces ML tools for guided wave behaviour in composite materials.
problem Difficult assessment of guided wave behaviour in complex materials.
method Data-driven model using Gaussian processes with physical constraints.
result Structured machine learning models offer advantages like extrapolation and physical interpretation.
We propose a practical Bayesian optimization method using Gaussian process regression, of which the marginal likelihood is maximized where the number of model selection steps is guided by a pre-defined threshold. Since Bayesian optimization consumes a large portion of its execution time in finding the optimal free para…
A new learning scheme improves model efficiency and performance.
problem Characterizing correlation between batch-level and global data distributions.
method Epoch-evolving Gaussian Process Guided Learning (GPGL) scheme with context labels and triangle consistency loss.
result Significantly outperforms existing models on mainstream datasets.
Proposes a method to optimize neural network initialization using marginal likelihood maximization.
problem Optimizing hyperparameters for neural network initialization.
method Leverages the connection between neural networks and Gaussian processes to infer optimal hyperparameters.
result Marginal likelihood maximization provides near-optimal prediction performance on MNIST classification tasks.
This paper tackles real-time Bayesian inverse problems using neural networks.
problem Real-time inference of posterior distributions from experimental data.
method Amortized variational inference with Gaussian and Flow guides.
result The approach provides posterior estimates in real-time at the cost of a forward pass.
New method uses MMAF-guided learning for spatio-temporal probabilistic forecasts.
problem Probabilistic forecasting of spatio-temporal data with causal structure.
method Generalized Bayesian methodology, MMAF-guided learning, ensemble of stochastic feed-forward neural networks.
result Forecast performance comparable to, and sometimes better than, deep learning architectures.
Optimization of very expensive black-box functions requires utilization of maximum information gathered by the process of optimization. Model Guided Sampling Optimization (MGSO) forms a more robust alternative to Jones' Gaussian-process-based EGO algorithm. Instead of EGO's maximizing expected improvement, the MGSO use…
A new method combines deep kernels with Gaussian processes to avoid overfitting.
problem Losing Bayesian benefits in deep kernel learning due to kernel optimization.
method Using Infinite-width neural networks and Neural Network Gaussian Process (NNGP) as a guide for DKL optimization.
result Robustness to overfitting and good predictive performance on various datasets.
We establish a quantitative isoperimetric inequality for weighted Riemannian manifolds with Ric∞≥1. Precisely, we give an upper bound of the volume of the symmetric difference between a Borel set and a sub-level (or super-level) set of the associated guiding function (arising from the needle deco…
Bayesian-guided method selects optimal design from large candidate pool.
problem Optimizing complex structures with high-fidelity evaluations.
method Bayesian active learning with surrogate modeling.
result Optimal design identified with minimal oracle evaluations.
Bayesian optimization guided by experimenter intuition and beliefs.
problem Finding optimal functions with experimenter's beliefs incorporated.
method Sequential Subspace Search using Gaussian Process.
result Algorithm converges in sub-linear time with finite effective dimension.
Good sparse approximations are essential for practical inference in Gaussian Processes as the computational cost of exact methods is prohibitive for large datasets. The Fully Independent Training Conditional (FITC) and the Variational Free Energy (VFE) approximations are two recent popular methods. Despite superficial …
We study the value of information in sequential compressed sensing by characterizing the performance of sequential information guided sensing in practical scenarios when information is inaccurate. In particular, we assume the signal distribution is parameterized through Gaussian or Gaussian mixtures with estimated mean…
The paper provides precise estimates for isoperimetric inequalities on weighted manifolds.
problem Quantitative isoperimetric inequalities on weighted Riemannian manifolds.
method Analyzes L1, Lp, and W2 estimates for the push-forward of measures. result Close approximation of the guiding function's push-forward to Gaussian measure.
Self-supervised method enhances ultrasound images without needing clean targets.
problem Multiplicative speckle, acquisition blur, and scanner artifacts hamper ultrasound interpretation.
method Physics-guided degradation model trained on rotated/cropped patches with synthesized inputs.
result Achieves highest PSNR/SSIM across Gaussian and speckle noise levels, with significant improvements in heavy noise conditions.
GH-PID uses guided harmonic paths for efficient SOT with interpretable diagnostics.
problem Efficiently solving Stochastic Optimal Transport with hard terminal distributions and soft costs.
method Guided Harmonic Path-Integral Diffusion (GH-PID) framework with low-dimensional guidance.
result GH-PID generates geometry-aware, cost-reducing trajectories that match terminal distributions.
New method uses neural networks to forecast spatial-temporal data.
problem Probabilistic forecasting of spatio-temporal data with causal structure.
method MMAF-guided learning with ensemble of stochastic feed-forward neural networks.
result Forecasting remains calibrated across multiple time horizons.
Unified framework for inference in complex nonlinear processes.
problem Challenges in inferring nonlinear continuous stochastic processes with sparse observations and complex topologies.
method Neural Backward Filtering Forward Guiding (NBFFG) framework that constructs a variational posterior using a proxy linear-Gaussian process.
result Empirical results show NBFFG outperforms baselines on synthetic benchmarks and high-dimensional phylogenetic analysis tasks.
Improving Bayesian Optimization via Training-Aware Conditional Diffusion Models
problem Bayesian Optimization
method Bayesian Optimization with Conditional Diffusion Models
result DMS outperforms standard BO baselines
Optimizes sliding window approach for tracking Gaussian densities.
problem Improving tracking performance of Gaussian density estimation.
method Theoretical analysis of sliding window Gaussian Kernel Density Estimators.
result Empirical evidence shows improved tracking performance with optimal weight sequence.
Improved self-supervised denoising for Poisson-Gaussian noise.
problem Handling Poisson-Gaussian noise in self-supervised denoising.
method Extended blindspot model, improved training scheme without hyperparameters.
result Improved denoising performance on microscope image benchmarks.
Bayesian optimization on networks using Gaussian process models.
problem Optimizing expensive black-box functions on network structures.
method Developed Bayesian optimization algorithms with Gaussian process surrogates tailored to network geometry.
result Established regret bounds for smooth objective functions and analyzed practical cases.
Combines global and local search for efficient global optimization with Gaussian processes.
problem Difficulties in building accurate GP models and getting stuck in suboptimal regions.
method Adopting AGLGP model combining global and local GP models, dividing space into regions, and switching between global and local searches.
result Efficiently locates the global optimum with benefits of both global and local search.
A method to select important experts for Gaussian processes to balance computational efficiency and uncertainty quantification.
problem Balancing computational efficiency and uncertainty quantification in Gaussian processes for big data.
method Using graphical models to select important experts and aggregate their predictions while ensuring uncertainty quantification.
result Substantially reduces computational cost of aggregating dependent experts while ensuring calibrated uncertainty quantification.
ESS-Flow guides flow models without retraining, using Bayesian inference in source space.
problem Training flow models on paired data for conditional generation or sample production.
method Gradient-free Bayesian inference in source space using Elliptical Slice Sampling.
result Effective in diverse tasks including material design and protein structure prediction.
New acquisition function for extreme rewards in bandits.
problem Online decision making with extreme payoffs in multi-armed bandits.
method Modeling payoffs as Gaussian processes and using a novel UCB acquisition function.
result Demonstrated benefits across synthetic and real-world benchmarks.
Develops a new Gaussian process method for efficient Bayesian inference of plant root parameters in the Richards equation.
problem Estimating unknown parameters in nonlinear PDEs for agricultural studies.
method Gaussian process collocation with importance sampling and Bayesian optimization.
result Our method yields robust estimates with uncertainty quantification for plant root parameters.
Proposes DGCN with trajectory sampling for data-efficient policy search in MBRL.
problem Improving data efficiency in model-based reinforcement learning.
method Combines trajectory sampling and DGCN for uncertainty propagation in probabilistic world models.
result Improves sample-efficiency over other uncertainty propagation methods and probabilistic models.
We present a novel approach for fully non-stationary Gaussian process regression (GPR), where all three key parameters -- noise variance, signal variance and lengthscale -- can be simultaneously input-dependent. We develop gradient-based inference methods to learn the unknown function and the non-stationary model param…
Derives symmetric and antisymmetric kernels for quantum physics and chemistry applications.
problem Efficiently handling symmetries and antisymmetries in machine learning for quantum physics and chemistry.
method Symmetrizing and antisymmetrizing conventional kernels, analyzing feature space dimensions, proving kernel properties, proposing Slater determinant representation.
result Efficient evaluation of antisymmetric Gaussian kernels even in high-dimensional state spaces, significant reduction in training data size.
We propose practical extensions to Bayesian optimization for solving dynamic problems. We model dynamic objective functions using spatiotemporal Gaussian process priors which capture all the instances of the functions over time. Our extensions to Bayesian optimization use the information learnt from this model to guide…
Develops a scalable model for drug combination prediction in cancer.
problem Accurate prediction of drug combinations for cancer treatment.
method Permutation invariant multi-output Gaussian Processes with variational approximation and deep generative model.
result Model efficiently borrows information across drug combinations and provides uncertainty quantification.
Ultrasonic guided waves are commonly used to localize structural damage in infrastructures such as buildings, airplanes, bridges. Damage localization can be viewed as an inverse problem. Physical model based techniques are popular for guided wave based damage localization. The performance of these techniques depend on …
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…
P-BO reduces black-box adversarial attacks by 10x with Bayesian optimization and function prior.
problem Efficiently generating adversarial examples against black-box models.
method Prior-guided Bayesian Optimization (P-BO) with a function prior initialized from a surrogate model.
result Significantly reduces the number of queries needed for adversarial attacks.
Topology-GS improves 3D GS for better structural and feature integrity.
problem Compromised pixel-level and feature-level integrity in 3D GS.
method Incorporates Local Persistent Voronoi Interpolation (LPVI) and PersLoss based on persistent homology.
result Topology-GS outperforms existing methods in PSNR, SSIM, and LPIPS metrics.
In this work, we propose a new Gaussian process regression (GPR)-based multifidelity method: physics-informed CoKriging (CoPhIK). In CoKriging-based multifidelity methods, the quantities of interest are modeled as linear combinations of multiple parameterized stationary Gaussian processes (GPs), and the hyperparameters…
MOPO-LSI offers a user guide for sustainable investments.
problem Sustainable investment optimization challenges.
method Open-source library for multi-objective portfolio optimization.
result User-friendly guide for MOPO-LSI version 1.0.
Proposes a new acquisition function for batched Bayesian optimization.
problem Intractability of acquisition functions for batched Bayesian optimization.
method Statistical physics inspired acquisition function for Gaussian processes.
result Demonstrates competitive performance on various problems.
The PC algorithm is a popular method for learning the structure of Gaussian Bayesian networks. It carries out statistical tests to determine absent edges in the network. It is hence governed by two parameters: (i) The type of test, and (ii) its significance level. These parameters are usually set to values recommended …
NE-GMM uses ES and GMM to improve uncertainty quantification.
problem Challenges in estimating mean and variance of complex distributions.
method Integrates Gaussian Mixture Model with Energy Score.
result NE-GMM outperforms in predictive accuracy and uncertainty quantification.
GUIDE-VAE generates user-guided data with improved realism and performance.
problem Generating data points for multi-user datasets while considering user information.
method Conditional generative model that integrates user embeddings and a pattern dictionary-based covariance composition.
result GUIDE-VAE outperforms conventional VAEs in multi-user settings, especially under data imbalance.
This paper analyzes error in SKI for Gaussian Processes, providing conditions for linear time inference.
problem Lack of rigorous theoretical error analysis for SKI.
method Proved error bounds for SKI Gram matrix, examined error effects, provided practical guidelines.
result Identified two dimensionality regimes for SKI's scalability-accuracy trade-offs.
New SDE model from machine learning optimization with unique stationary distribution.
problem Stationary distribution of machine learning optimization models.
method Proved ergodicity and unique stationary distribution of power-law dynamic SDE.
result Power-law dynamic has a unique stationary distribution and is ergodic.
Dropout is often used in deep neural networks to prevent over-fitting. Conventionally, dropout training invokes \textit{random drop} of nodes from the hidden layers of a Neural Network. It is our hypothesis that a guided selection of nodes for intelligent dropout can lead to better generalization as compared to the tra…
BITS for GAPS uses Bayesian methods to improve surrogate model accuracy in complex systems.
problem Improving surrogate model accuracy in complex physical systems with uncertainty.
method Bayesian Information-Theoretic Sampling for hierarchical Gaussian Process Surrogates.
result Increased expected information gain and predictive accuracy by targeting high-uncertainty regions.
Flow Annealing Posterior Sampling unifies stochastic-process regression and PDE inverse problems.
problem Function-space posterior sampling for stochastic processes and inverse problems.
method Flow Annealing Posterior Sampling (FAPS) using pretrained function-space flow-matching priors.
result Coherent posterior samples with accurate uncertainty quantification.
Proposes FMS for more efficient neural network hyperparameter optimization.
problem Efficient hyperparameter optimization for deep learning models.
method Uses logged checkpoints of trained weights to guide hyperparameter selections.
result Proposes Forecasting Model Search (FMS) method.