LC-GAP uses localized Coulomb descriptors for accurate molecular potential predictions.
problem Creating accurate molecular potentials for large molecules.
method Combining localized Coulomb matrix representations with Gaussian approximation potential.
result LC-GAP generates accurate potentials for molecules larger than training data with chemical accuracy.
We derive Gaussian approximations for random forest predictions using region-based stabilization.
problem Improving the accuracy of random forest predictions for Poisson process data.
method Region-based stabilization and Malliavin-Stein method for multivariate Gaussian approximation.
result Established Gaussian approximation bounds for random forest predictions under Poisson process.
New sampling-based approach for filtering problems using multiplicative Gaussian functions.
problem Approximate inference in filtering problems.
method Approximates distribution with a weighted sum of continuous functions using sampling for multiplications.
result Preliminary experiments show potential of the new method compared to particle filters.
Gaussian processes have been successful in both supervised and unsupervised machine learning tasks, but their computational complexity has constrained practical applications. We introduce a new approximation for large-scale Gaussian processes, the Gaussian Process Random Field (GPRF), in which local GPs are coupled via…
PDHAMS improves sampling for discrete distributions with quadratic potential functions.
problem Sampling discrete distributions efficiently and accurately.
method Integrates a second-order approximation of the potential function and uses Gaussian integral trick.
result PDHAMS yields superior performance compared to other methods.
We propose a practical and scalable Gaussian process model for large-scale nonlinear probabilistic regression. Our mixture-of-experts model is conceptually simple and hierarchically recombines computations for an overall approximation of a full Gaussian process. Closed-form and distributed computations allow for effici…
New method improves inference in deep Gaussian processes.
problem Intractable exact inference in deep Gaussian processes.
method Stochastic Gradient Hamiltonian Monte Carlo (SGHMC) with Moving Window MCEM.
result Significantly better predictions at lower computational cost.
VAEs and GANs use simple distributions and neural networks to implicitly approximate complex data distributions.
problem Approximating high-dimensional complex distributions explicitly is often intractable.
method VAEs and GANs use simple base distributions and neural networks to implicitly approximate complex distributions.
result Implicit approximation of complex distributions is crucial but introduces limitations, especially in VAEs with fixed Gaussian priors.
Improves GP models with known bounds for sampling and optimization.
problem Functions with known upper and lower bounds.
method Transforms GP models with bounds for posterior sampling and BO.
result Bounded entropy search (BES) selects points satisfying constraints.
A novel optimization-based Gaussian mixture reduction method using composite transportation divergence.
problem Exponential increase in Gaussian mixture order leads to intractable inference.
method Optimization-based Gaussian mixture reduction (GMR) using composite transportation divergence (CTD).
result Unified framework for selecting optimal cost function in various applications.
Flexible neural likelihoods for multi-output Gaussian processes improve prediction quality.
problem Improving prediction quality in multi-output Gaussian process models.
method Constructing flexible likelihoods using neural networks and applying sparse variational inference.
result Neural likelihoods can improve prediction quality compared to simpler Gaussian process models.
We show how to use a variational approximation to the logistic function to perform approximate inference in Bayesian networks containing discrete nodes with continuous parents. Essentially, we convert the logistic function to a Gaussian, which facilitates exact inference, and then iteratively adjust the variational par…
The paper studies scaling limits of Wasserstein metrics on Gaussian mixture models.
problem Understanding the scaling limits of Wasserstein metrics on Gaussian mixture models.
method Scaling limit approach on Gaussian mixture models, including inhomogeneous and extended models.
result Existence of the limit of the Wasserstein metric after renormalization for GMMs with zero variance.
We are concerned with an approximation problem for a symmetric positive semidefinite matrix due to motivation from a class of nonlinear machine learning methods. We discuss an approximation approach that we call {matrix ridge approximation}. In particular, we define the matrix ridge approximation as an incomplete matri…
Develops a multi-resolution multi-task framework for integrating noisy, varying data.
problem Integrating evidence from multiple observation processes with varying resolutions and noise levels.
method Multi-resolution Multi-task Gaussian Processes (MRGP) framework, shallow and deep Gaussian Process mixtures.
result Generalizes and outperforms state-of-the-art GP compositions, offering efficient corrections and approximations.
Transformers can solve complex filtering problems for non-Gaussian signals.
problem Non-linear and non-Markovian filtering problems for conditionally Gaussian signals.
method Continuous-time transformer models called filterformers.
result Filterformers can approximate the conditional law of non-Markovian and conditionally Gaussian signal processes.
The paper addresses GP dynamics by improving simulation and prediction accuracy.
problem GP dynamics often underestimate prediction uncertainty, leading to safety issues.
method The paper introduces sampling-based and linearization-based techniques to account for the correlation between successive function evaluations.
result The proposed methods provide more accurate trajectory distributions and prediction uncertainties.
Scalable Gaussian Process Operator tackles high-dimensional PDEs.
problem Scaling Gaussian Process Operators to high-dimensional, data-intensive regimes.
method Nearest-neighbor-based local kernel approximations, sparse kernel approximation, structured Kronecker factorizations, operator-aware kernel structures, task-informed mean functions.
result Consistently achieves high accuracy across varying discretization scales.
Post-process Bayesian inference speeds up posterior approximation.
problem Leveraging pre-existing model evaluations for quick posterior approximation.
method Variational Sparse Bayesian Quadrature (VSBQ) using sparse Gaussian process (GP) surrogate model.
result VSBQ builds high-quality posterior approximations from existing optimization traces.
Scientists often express their understanding of the world through a computationally demanding simulation program. Analyzing the posterior distribution of the parameters given observations (the inverse problem) can be extremely challenging. The Approximate Bayesian Computation (ABC) framework is the standard statistical…
A hierarchical Gaussian prior model improves low-rank matrix completion.
problem Low-rank matrix completion with improved structure exploitation.
method Hierarchical Gaussian prior model with GAMP embedded variational Bayesian inference.
result The proposed method outperforms state-of-the-art matrix completion methods.
Guarantees robustness of Gaussian process classifiers against adversarial attacks.
problem Protecting machine learning classifiers from adversarial perturbations.
method Developed an adversarial bound (AB) for Gaussian process classifiers, providing a formal guarantee of robustness.
result Proves that the proposed method produces a practical, useful, and provably robust classifier.
We analyze a monetary system of random money transfer on the basis of double entry bookkeeping. Without boundary conditions, we do not reach a price equilibrium and violate text-book formulas of economists quantity theory (MV=PQ). To match the resulting quantity of money with the model assumption of a constant price, w…
Inference in popular nonparametric Bayesian models typically relies on sampling or other approximations. This paper presents a general methodology for constructing novel tractable nonparametric Bayesian methods by applying the kernel trick to inference in a parametric Bayesian model. For example, Gaussian process regre…
Interest in multioutput kernel methods is increasing, whether under the guise of multitask learning, multisensor networks or structured output data. From the Gaussian process perspective a multioutput Mercer kernel is a covariance function over correlated output functions. One way of constructing such kernels is based …
Geometric Gaussian approximations capture any distribution.
problem Approximating complex probability distributions.
method Geometric Gaussian approximations through diffeomorphisms or exponential maps.
result Geometric Gaussian approximations are universal, capturing any distribution.
New algorithm reduces privacy breach in posterior sampling.
problem Combining pure DP with MCMC for efficient sampling.
method ASAP algorithm that perturbs MCMC samples with Wasserstein-infinity noise.
result First nearly linear-time algorithm achieving optimal DP-ERM rates.
DGPs collapse to near-deterministic transformations, limiting their compositional structure discovery.
problem Limitations of variational inference in DGPs lead to suboptimal posterior approximations.
method Examine alternative variational inference schemes allowing for dependencies across different layers.
result Alternative variational inference schemes can better capture the compositional structure in DGPs.
Proposes efficient Gaussian approximations for non-Gaussian likelihoods.
problem Computational challenges in learning and inference with non-Gaussian likelihoods.
method Variational inference and moment matching in transformed bases.
result Good approximation quality for binary and multiclass classification.
NOVI improves deep Gaussian process inference with neural generators and regularized Stein discrepancy.
problem Intractable exact inference in deep Gaussian processes.
method NOVI uses a neural generator to approximate the posterior distribution and minimizes Regularized Stein Discrepancy.
result NOVI achieves 93.56% classification accuracy on CIFAR10, outperforming state-of-the-art methods.
Developed accurate empirical potentials for Si:H nanowires using multi-fidelity Gaussian process.
problem Accurate modeling of Si:H nanowires using fast but inaccurate empirical potentials and slow but accurate first-principle calculations.
method Employed multi-fidelity Gaussian process regression to integrate low-fidelity empirical potential data with high-fidelity first-principle calculations.
result Demonstrated the accuracy of developed empirical potentials for Si:H nanowires.
The paper proposes a Gaussian mixture model for Hilbert-space-valued data.
problem Challenges in characterizing probability measures for infinite-dimensional random objects.
method Gaussian mixture framework based on kernel mean embeddings.
result The proposed algorithm yields a dense class of approximations in infinite-dimensional spaces.
A new method for efficient uncertainty estimation in deep learning models.
problem High computational costs in uncertainty estimation for deep neural networks.
method Variational sparse Gaussian Process approximation of the Linearized Laplace Approximation.
result Sub-linear training time and improved performance compared to existing methods.
Paper solves a key problem in learning from high-dimensional covariance matrices.
problem Computing normalizing factors for Riemannian Gaussian distributions on high-dimensional covariance matrices.
method Equivalence with random matrix theory and log-normal matrix ensembles to approximate normalizing factors.
result Efficient approximation of normalizing factors with decreasing error as dimension increases.
A variational Bayesian method improves image restoration in Poisson-Gaussian noise.
problem Signal recovery in the presence of non-Gaussian noise, especially Poisson-Gaussian.
method Variational Bayesian framework for estimating posterior distribution, majorization technique for non-Gaussian likelihood.
result The proposed method achieves performance comparable to manually tuned regularization parameters.
Deep brain stimulation (DBS) is a surgical treatment for Parkinson's Disease. Static models based on quasi-static approximation are common approaches for DBS modeling. While this simplification has been validated for bioelectric sources, its application to rapid stimulation pulses, which contain more high-frequency pow…
This work improves SGMs' convergence guarantees for semiconvex distributions with discontinuous gradients.
problem Establishing convergence guarantees for SGMs under weak regularity conditions.
method Developed non-asymptotic Wasserstein-2 convergence analysis for SGMs targeting semiconvex distributions with discontinuous gradients.
result Achieved optimal dependence of O ( d ) O(\sqrt{d}) O ( d ) on data dimension d d d and convergence rate of order one. Quantum model captures rare financial events not seen by Gaussian statistics.
problem Underestimation of rare financial events by Gaussian statistics.
method Quantum Bohmian Mechanics applied to multifractal random walk (MRW) models.
result Rare financial events generate a potential barrier in quantum potentials.
Innovative PGMs match neural networks, revealing precise approximations during forward propagation.
problem Lack of precise semantics and probabilistic interpretation in neural networks.
method Constructing infinite tree-structured PGMs that correspond to neural networks.
result DNNs perform precise approximations of PGM inference during forward propagation.
We present an algorithm, AROFAC2, which detects the (CP-)rank of a degree 3 tensor and calculates its factorization into rank-one components. We provide generative conditions for the algorithm to work and demonstrate on both synthetic and real world data that AROFAC2 is a potentially outperforming alternative to the go…
Tractable model explains market dynamics using Langevin and SUSY QM.
problem Understanding non-linear market dynamics and option pricing.
method Langevin dynamics mapped to QM, using SUSY to find solutions.
result NES model provides accurate option pricing with a single volatility parameter.
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.
FourNet approximates financial transition densities using Fourier transforms.
problem Approximating transition densities in finance with high accuracy.
method FourNet is a novel FFNN with Gaussian activation, learning from characteristic functions.
result FourNet can approximate transition densities arbitrarily well with finite neurons.
Fast approximate inference for non-Gaussian data.
problem Efficient inference for non-Gaussian data.
method Laplace Matching for fast approximate inference in latent Gaussian models.
result Achieves high approximation quality with low computational cost.
Study approximates multivariate risk measures for Gaussian risks.
problem Complex approximations of multivariate risk measures for Gaussian risks.
method Derived precise approximations of marginal mean excess, marginal expected shortfall, and multivariate conditional tail expectation.
result Similar results hold for elliptical and Gaussian-like multivariate risks.
Non-negative L 1 L_1 L 1 -approximating polynomials for Gaussian distributions are proven for certain classes of sets.
problem Existence of non-negative L 1 L_1 L 1 -approximating polynomials for Gaussian distributions. method Proving the existence of degree- k k k non-negative polynomials that approximate indicator functions of sets with Gaussian surface area in L 1 L_1 L 1 -norm. result Proves the existence of non-negative L 1 L_1 L 1 -approximating polynomials for certain classes of sets with Gaussian surface area. A new method for efficient Gaussian process inference using sparse approximations.
problem Scalable and accurate inference for latent Gaussian processes.
method Variational approximation with sparse inverse Cholesky factors and double Kullback-Leibler minimization.
result The proposed method can achieve highly accurate approximations with polylogarithmic time complexity.
Two approximate lifted variational methods for hybrid domains improve inference scalability and accuracy.
problem Efficient inference in hybrid probabilistic relational models with multi-modality and continuous evidence.
method Two approximate lifted variational approaches applicable to hybrid domains, exploiting model symmetries.
result The proposed variational methods are scalable and can leverage approximate model symmetries, outperforming existing message-passing approaches.