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Jul 27

Random Grid Neural Processes for Parametric Partial Differential Equations

We introduce a new class of spatially stochastic physics and data informed deep latent models for parametric partial differential equations (PDEs) which operate through scalable variational neural processes. We achieve this by assigning probability measures to the spatial domain, which allows us to treat collocation grids probabilistically as random variables to be marginalised out. Adapting this spatial statistics view, we solve forward and inverse problems for parametric PDEs in a way that leads to the construction of Gaussian process models of solution fields. The implementation of these random grids poses a unique set of challenges for inverse physics informed deep learning frameworks and we propose a new architecture called Grid Invariant Convolutional Networks (GICNets) to overcome these challenges. We further show how to incorporate noisy data in a principled manner into our physics informed model to improve predictions for problems where data may be available but whose measurement location does not coincide with any fixed mesh or grid. The proposed method is tested on a nonlinear Poisson problem, Burgers equation, and Navier-Stokes equations, and we provide extensive numerical comparisons. We demonstrate significant computational advantages over current physics informed neural learning methods for parametric PDEs while improving the predictive capabilities and flexibility of these models.

  • 6 authors
·
Jan 26, 2023

Gaussian Process Optimization with Adaptive Sketching: Scalable and No Regret

Gaussian processes (GP) are a well studied Bayesian approach for the optimization of black-box functions. Despite their effectiveness in simple problems, GP-based algorithms hardly scale to high-dimensional functions, as their per-iteration time and space cost is at least quadratic in the number of dimensions d and iterations t. Given a set of A alternatives to choose from, the overall runtime O(t^3A) is prohibitive. In this paper we introduce BKB (budgeted kernelized bandit), a new approximate GP algorithm for optimization under bandit feedback that achieves near-optimal regret (and hence near-optimal convergence rate) with near-constant per-iteration complexity and remarkably no assumption on the input space or covariance of the GP. We combine a kernelized linear bandit algorithm (GP-UCB) with randomized matrix sketching based on leverage score sampling, and we prove that randomly sampling inducing points based on their posterior variance gives an accurate low-rank approximation of the GP, preserving variance estimates and confidence intervals. As a consequence, BKB does not suffer from variance starvation, an important problem faced by many previous sparse GP approximations. Moreover, we show that our procedure selects at most O(d_{eff}) points, where d_{eff} is the effective dimension of the explored space, which is typically much smaller than both d and t. This greatly reduces the dimensionality of the problem, thus leading to a O(TAd_{eff}^2) runtime and O(A d_{eff}) space complexity.

  • 5 authors
·
Aug 26, 2019

PIG: Physics-Informed Gaussians as Adaptive Parametric Mesh Representations

The approximation of Partial Differential Equations (PDEs) using neural networks has seen significant advancements through Physics-Informed Neural Networks (PINNs). Despite their straightforward optimization framework and flexibility in implementing various PDEs, PINNs often suffer from limited accuracy due to the spectral bias of Multi-Layer Perceptrons (MLPs), which struggle to effectively learn high-frequency and non-linear components. Recently, parametric mesh representations in combination with neural networks have been investigated as a promising approach to eliminate the inductive biases of neural networks. However, they usually require very high-resolution grids and a large number of collocation points to achieve high accuracy while avoiding overfitting issues. In addition, the fixed positions of the mesh parameters restrict their flexibility, making it challenging to accurately approximate complex PDEs. To overcome these limitations, we propose Physics-Informed Gaussians (PIGs), which combine feature embeddings using Gaussian functions with a lightweight neural network. Our approach uses trainable parameters for the mean and variance of each Gaussian, allowing for dynamic adjustment of their positions and shapes during training. This adaptability enables our model to optimally approximate PDE solutions, unlike models with fixed parameter positions. Furthermore, the proposed approach maintains the same optimization framework used in PINNs, allowing us to benefit from their excellent properties. Experimental results show the competitive performance of our model across various PDEs, demonstrating its potential as a robust tool for solving complex PDEs. Our project page is available at https://namgyukang.github.io/Physics-Informed-Gaussians/

  • 4 authors
·
Dec 8, 2024 2

Solving High Frequency and Multi-Scale PDEs with Gaussian Processes

Machine learning based solvers have garnered much attention in physical simulation and scientific computing, with a prominent example, physics-informed neural networks (PINNs). However, PINNs often struggle to solve high-frequency and multi-scale PDEs, which can be due to spectral bias during neural network training. To address this problem, we resort to the Gaussian process (GP) framework. To flexibly capture the dominant frequencies, we model the power spectrum of the PDE solution with a student t mixture or Gaussian mixture. We apply the inverse Fourier transform to obtain the covariance function (by Wiener-Khinchin theorem). The covariance derived from the Gaussian mixture spectrum corresponds to the known spectral mixture kernel. Next, we estimate the mixture weights in the log domain, which we show is equivalent to placing a Jeffreys prior. It automatically induces sparsity, prunes excessive frequencies, and adjusts the remaining toward the ground truth. Third, to enable efficient and scalable computation on massive collocation points, which are critical to capture high frequencies, we place the collocation points on a grid, and multiply our covariance function at each input dimension. We use the GP conditional mean to predict the solution and its derivatives so as to fit the boundary condition and the equation itself. As a result, we can derive a Kronecker product structure in the covariance matrix. We use Kronecker product properties and multilinear algebra to promote computational efficiency and scalability, without low-rank approximations. We show the advantage of our method in systematic experiments. The code is released at https://github.com/xuangu-fang/Gaussian-Process-Slover-for-High-Freq-PDE.

  • 6 authors
·
Nov 8, 2023

Sketch and Patch: Efficient 3D Gaussian Representation for Man-Made Scenes

3D Gaussian Splatting (3DGS) has emerged as a promising representation for photorealistic rendering of 3D scenes. However, its high storage requirements pose significant challenges for practical applications. We observe that Gaussians exhibit distinct roles and characteristics that are analogous to traditional artistic techniques -- Like how artists first sketch outlines before filling in broader areas with color, some Gaussians capture high-frequency features like edges and contours; While other Gaussians represent broader, smoother regions, that are analogous to broader brush strokes that add volume and depth to a painting. Based on this observation, we propose a novel hybrid representation that categorizes Gaussians into (i) Sketch Gaussians, which define scene boundaries, and (ii) Patch Gaussians, which cover smooth regions. Sketch Gaussians are efficiently encoded using parametric models, leveraging their geometric coherence, while Patch Gaussians undergo optimized pruning, retraining, and vector quantization to maintain volumetric consistency and storage efficiency. Our comprehensive evaluation across diverse indoor and outdoor scenes demonstrates that this structure-aware approach achieves up to 32.62% improvement in PSNR, 19.12% in SSIM, and 45.41% in LPIPS at equivalent model sizes, and correspondingly, for an indoor scene, our model maintains the visual quality with 2.3% of the original model size.

  • 5 authors
·
Jan 22, 2025

Implicit Gaussian process representation of vector fields over arbitrary latent manifolds

Gaussian processes (GPs) are popular nonparametric statistical models for learning unknown functions and quantifying the spatiotemporal uncertainty in data. Recent works have extended GPs to model scalar and vector quantities distributed over non-Euclidean domains, including smooth manifolds appearing in numerous fields such as computer vision, dynamical systems, and neuroscience. However, these approaches assume that the manifold underlying the data is known, limiting their practical utility. We introduce RVGP, a generalisation of GPs for learning vector signals over latent Riemannian manifolds. Our method uses positional encoding with eigenfunctions of the connection Laplacian, associated with the tangent bundle, readily derived from common graph-based approximation of data. We demonstrate that RVGP possesses global regularity over the manifold, which allows it to super-resolve and inpaint vector fields while preserving singularities. Furthermore, we use RVGP to reconstruct high-density neural dynamics derived from low-density EEG recordings in healthy individuals and Alzheimer's patients. We show that vector field singularities are important disease markers and that their reconstruction leads to a comparable classification accuracy of disease states to high-density recordings. Thus, our method overcomes a significant practical limitation in experimental and clinical applications.

  • 9 authors
·
Sep 28, 2023

GES: Generalized Exponential Splatting for Efficient Radiance Field Rendering

Advancements in 3D Gaussian Splatting have significantly accelerated 3D reconstruction and generation. However, it may require a large number of Gaussians, which creates a substantial memory footprint. This paper introduces GES (Generalized Exponential Splatting), a novel representation that employs Generalized Exponential Function (GEF) to model 3D scenes, requiring far fewer particles to represent a scene and thus significantly outperforming Gaussian Splatting methods in efficiency with a plug-and-play replacement ability for Gaussian-based utilities. GES is validated theoretically and empirically in both principled 1D setup and realistic 3D scenes. It is shown to represent signals with sharp edges more accurately, which are typically challenging for Gaussians due to their inherent low-pass characteristics. Our empirical analysis demonstrates that GEF outperforms Gaussians in fitting natural-occurring signals (e.g. squares, triangles, and parabolic signals), thereby reducing the need for extensive splitting operations that increase the memory footprint of Gaussian Splatting. With the aid of a frequency-modulated loss, GES achieves competitive performance in novel-view synthesis benchmarks while requiring less than half the memory storage of Gaussian Splatting and increasing the rendering speed by up to 39%. The code is available on the project website https://abdullahamdi.com/ges .

  • 8 authors
·
Feb 15, 2024 1

Adaptive Pruning for Increased Robustness and Reduced Computational Overhead in Gaussian Process Accelerated Saddle Point Searches

Gaussian process (GP) regression provides a strategy for accelerating saddle point searches on high-dimensional energy surfaces by reducing the number of times the energy and its derivatives with respect to atomic coordinates need to be evaluated. The computational overhead in the hyperparameter optimization can, however, be large and make the approach inefficient. Failures can also occur if the search ventures too far into regions that are not represented well enough by the GP model. Here, these challenges are resolved by using geometry-aware optimal transport measures and an active pruning strategy using a summation over Wasserstein-1 distances for each atom-type in farthest-point sampling, selecting a fixed-size subset of geometrically diverse configurations to avoid rapidly increasing cost of GP updates as more observations are made. Stability is enhanced by permutation-invariant metric that provides a reliable trust radius for early-stopping and a logarithmic barrier penalty for the growth of the signal variance. These physically motivated algorithmic changes prove their efficacy by reducing to less than a half the mean computational time on a set of 238 challenging configurations from a previously published data set of chemical reactions. With these improvements, the GP approach is established as, a robust and scalable algorithm for accelerating saddle point searches when the evaluation of the energy and atomic forces requires significant computational effort.

  • 2 authors
·
Oct 7, 2025 2

GASP: Gaussian Splatting for Physic-Based Simulations

Physics simulation is paramount for modeling and utilizing 3D scenes in various real-world applications. However, integrating with state-of-the-art 3D scene rendering techniques such as Gaussian Splatting (GS) remains challenging. Existing models use additional meshing mechanisms, including triangle or tetrahedron meshing, marching cubes, or cage meshes. Alternatively, we can modify the physics-grounded Newtonian dynamics to align with 3D Gaussian components. Current models take the first-order approximation of a deformation map, which locally approximates the dynamics by linear transformations. In contrast, our GS for Physics-Based Simulations (GASP) pipeline uses parametrized flat Gaussian distributions. Consequently, the problem of modeling Gaussian components using the physics engine is reduced to working with 3D points. In our work, we present additional rules for manipulating Gaussians, demonstrating how to adapt the pipeline to incorporate meshes, control Gaussian sizes during simulations, and enhance simulation efficiency. This is achieved through the Gaussian grouping strategy, which implements hierarchical structuring and enables simulations to be performed exclusively on selected Gaussians. The resulting solution can be integrated into any physics engine that can be treated as a black box. As demonstrated in our studies, the proposed pipeline exhibits superior performance on a diverse range of benchmark datasets designed for 3D object rendering. The project webpage, which includes additional visualizations, can be found at https://waczjoan.github.io/GASP.

  • 6 authors
·
Sep 9, 2024

An Efficient Spatial Branch-and-Bound Algorithm for Global Optimization of Gaussian Process Posterior Mean Functions

We study the deterministic global optimization of trained Gaussian process posterior mean functions over hyperrectangular domains. Although the posterior mean function has a compact closed-form representation, its global optimization is challenging because it remains nonlinear and nonconvex. Existing exact deterministic approaches become increasingly difficult to scale as the number of training data points grows, leading to approximation-based methods that improve tractability by optimizing a modified (inexact) objective. In this work, we propose PALM-Mean, a piecewise-analytic lower-bounding framework embedded in reduced-space spatial branch-and-bound. At each node, kernel terms that are locally important are replaced by a sign-aware piecewise-linear relaxation in an appropriate scalar distance variable, while the remaining terms are bounded analytically in closed form. We show this hybrid approach yields a valid lower bound for the posterior mean, while limiting the size of the branch-and-bound subproblems. We establish validity of the node lower bounds and varepsilon-global convergence of the resulting algorithm. Computational results on synthetic benchmarks and real-world application problems show that PALM-Mean improves scalability relative to representative general-purpose deterministic global solvers, particularly as the number of training data points increases.

  • 4 authors
·
Apr 20

Sparsity-Aware Distributed Learning for Gaussian Processes with Linear Multiple Kernel

Gaussian processes (GPs) stand as crucial tools in machine learning and signal processing, with their effectiveness hinging on kernel design and hyper-parameter optimization. This paper presents a novel GP linear multiple kernel (LMK) and a generic sparsity-aware distributed learning framework to optimize the hyper-parameters. The newly proposed grid spectral mixture product (GSMP) kernel is tailored for multi-dimensional data, effectively reducing the number of hyper-parameters while maintaining good approximation capability. We further demonstrate that the associated hyper-parameter optimization of this kernel yields sparse solutions. To exploit the inherent sparsity of the solutions, we introduce the Sparse LInear Multiple Kernel Learning (SLIM-KL) framework. The framework incorporates a quantized alternating direction method of multipliers (ADMM) scheme for collaborative learning among multiple agents, where the local optimization problem is solved using a distributed successive convex approximation (DSCA) algorithm. SLIM-KL effectively manages large-scale hyper-parameter optimization for the proposed kernel, simultaneously ensuring data privacy and minimizing communication costs. Theoretical analysis establishes convergence guarantees for the learning framework, while experiments on diverse datasets demonstrate the superior prediction performance and efficiency of our proposed methods.

  • 5 authors
·
Sep 15, 2023

Distribution Transformers: Fast Approximate Bayesian Inference With On-The-Fly Prior Adaptation

While Bayesian inference provides a principled framework for reasoning under uncertainty, its widespread adoption is limited by the intractability of exact posterior computation, necessitating the use of approximate inference. However, existing methods are often computationally expensive, or demand costly retraining when priors change, limiting their utility, particularly in sequential inference problems such as real-time sensor fusion. To address these challenges, we introduce the Distribution Transformer -- a novel architecture that can learn arbitrary distribution-to-distribution mappings. Our method can be trained to map a prior to the corresponding posterior, conditioned on some dataset -- thus performing approximate Bayesian inference. Our novel architecture represents a prior distribution as a (universally-approximating) Gaussian Mixture Model (GMM), and transforms it into a GMM representation of the posterior. The components of the GMM attend to each other via self-attention, and to the datapoints via cross-attention. We demonstrate that Distribution Transformers both maintain flexibility to vary the prior, and significantly reduces computation times-from minutes to milliseconds-while achieving log-likelihood performance on par with or superior to existing approximate inference methods across tasks such as sequential inference, quantum system parameter inference, and Gaussian Process predictive posterior inference with hyperpriors.

  • 4 authors
·
Feb 4, 2025

Deep Learning for Solving and Estimating Dynamic Models in Economics and Finance

This script offers an implementation-oriented introduction to deep learning methods for solving and estimating high-dimensional dynamic stochastic models in economics and finance. Its starting point is the curse of dimensionality: heterogeneous-agent economies, overlapping-generations models with aggregate risk, continuous-time models with occasionally binding constraints, climate-economy models, and macro-finance environments with many assets and frictions generate state and parameter spaces that strain classical tensor-product grid methods. The exposition is organized around four complementary methodologies. Deep Equilibrium Nets embed discrete-time equilibrium conditions into neural-network loss functions. Physics-Informed Neural Networks approximate continuous-time Hamilton--Jacobi--Bellman, Kolmogorov forward, and related partial differential equations. Deep surrogate models provide fast, differentiable approximations to expensive structural models, while Gaussian processes add a probabilistic layer that quantifies approximation uncertainty; together they support estimation, sensitivity analysis, and constrained policy design. Gaussian-process-based dynamic programming, combined with active learning and dimension reduction, extends value-function iteration to very large continuous state spaces. Applications span representative-agent and international real business cycle models, overlapping-generations and heterogeneous-agent economies, continuous-time macro-finance, structural estimation by simulated method of moments, and climate economics under uncertainty. Companion notebooks in TensorFlow and PyTorch invite hands-on experimentation. These notes are a deliberately subjective and inevitably incomplete snapshot of a rapidly evolving field, aimed at equipping PhD students and researchers to engage with this frontier hands-on.

  • 1 authors
·
May 13

Scaling Gaussian Process Optimization by Evaluating a Few Unique Candidates Multiple Times

Computing a Gaussian process (GP) posterior has a computational cost cubical in the number of historical points. A reformulation of the same GP posterior highlights that this complexity mainly depends on how many unique historical points are considered. This can have important implication in active learning settings, where the set of historical points is constructed sequentially by the learner. We show that sequential black-box optimization based on GPs (GP-Opt) can be made efficient by sticking to a candidate solution for multiple evaluation steps and switch only when necessary. Limiting the number of switches also limits the number of unique points in the history of the GP. Thus, the efficient GP reformulation can be used to exactly and cheaply compute the posteriors required to run the GP-Opt algorithms. This approach is especially useful in real-world applications of GP-Opt with high switch costs (e.g. switching chemicals in wet labs, data/model loading in hyperparameter optimization). As examples of this meta-approach, we modify two well-established GP-Opt algorithms, GP-UCB and GP-EI, to switch candidates as infrequently as possible adapting rules from batched GP-Opt. These versions preserve all the theoretical no-regret guarantees while improving practical aspects of the algorithms such as runtime, memory complexity, and the ability of batching candidates and evaluating them in parallel.

  • 5 authors
·
Jan 30, 2022

A Study of Bayesian Neural Network Surrogates for Bayesian Optimization

Bayesian optimization is a highly efficient approach to optimizing objective functions which are expensive to query. These objectives are typically represented by Gaussian process (GP) surrogate models which are easy to optimize and support exact inference. While standard GP surrogates have been well-established in Bayesian optimization, Bayesian neural networks (BNNs) have recently become practical function approximators, with many benefits over standard GPs such as the ability to naturally handle non-stationarity and learn representations for high-dimensional data. In this paper, we study BNNs as alternatives to standard GP surrogates for optimization. We consider a variety of approximate inference procedures for finite-width BNNs, including high-quality Hamiltonian Monte Carlo, low-cost stochastic MCMC, and heuristics such as deep ensembles. We also consider infinite-width BNNs and partially stochastic models such as deep kernel learning. We evaluate this collection of surrogate models on diverse problems with varying dimensionality, number of objectives, non-stationarity, and discrete and continuous inputs. We find: (i) the ranking of methods is highly problem dependent, suggesting the need for tailored inductive biases; (ii) HMC is the most successful approximate inference procedure for fully stochastic BNNs; (iii) full stochasticity may be unnecessary as deep kernel learning is relatively competitive; (iv) infinite-width BNNs are particularly promising, especially in high dimensions.

  • 3 authors
·
May 31, 2023

Solve for the Hyperparameter, Skip the Search: Kolmogorov-Optimal Scaling Laws for Spline Regression

Hyperparameter tuning almost always means search: fit the model at every value on a grid, score each by cross-validation, and keep the winner. For spline regression that search is unnecessary. The optimal resolution can be solved for in closed form, to the accuracy an exhaustive search reaches, at a fraction of the compute. Three ingredients make this possible: classical approximation theory pins the squared bias to a known power of the resolution G, exactly the Kolmogorov n-width of the smoothness class; the basis dimension is an explicit polynomial in G; and leave-one-out error follows from a single fit via the PRESS identity. Balancing the two known curves gives the minimizer analytically. We extend this calculus to many coordinates by replacing ambient input dimension with interaction order, the number of active low-order components in an ANOVA decomposition, yielding a scaling law in which the optimal resolution and error are power functions of the effective density (sample size per active component), with input dimension absent from the exponent. The law becomes an algorithm. KORE (Kolmogorov-optimal Order-aware Resolution Estimation) fits two pilot resolutions, solves a leverage-calibrated 2x2 system for the bias and noise scales, and evaluates the closed-form plug-in resolution with a tiny leave-one-out certificate: about a dozen fits instead of a full grid sweep, with a consistency guarantee as the sample grows. Across additive and sparse pairwise targets up to 80 input dimensions, KORE matches exhaustive 3-fold cross-validation and the full classical ladder (GCV, Mallows' Cp, AIC, BIC) while fitting roughly 8x fewer models; on 36 real tabular datasets it ranks first among 21 methods in accuracy per unit of compute, ahead of tuned boosters and kernel machines. When complexity lives in low interaction order, solving for the resolution beats searching for it.

  • 2 authors
·
Jun 21

Kernel-, mean- and noise-marginalised Gaussian processes for exoplanet transits and H_0 inference

Using a fully Bayesian approach, Gaussian Process regression is extended to include marginalisation over the kernel choice and kernel hyperparameters. In addition, Bayesian model comparison via the evidence enables direct kernel comparison. The calculation of the joint posterior was implemented with a transdimensional sampler which simultaneously samples over the discrete kernel choice and their hyperparameters by embedding these in a higher-dimensional space, from which samples are taken using nested sampling. Kernel recovery and mean function inference were explored on synthetic data from exoplanet transit light curve simulations. Subsequently, the method was extended to marginalisation over mean functions and noise models and applied to the inference of the present-day Hubble parameter, H_0, from real measurements of the Hubble parameter as a function of redshift, derived from the cosmologically model-independent cosmic chronometer and ΛCDM-dependent baryon acoustic oscillation observations. The inferred H_0 values from the cosmic chronometers, baryon acoustic oscillations and combined datasets are H_0= 66 pm 6, km,s^{-1},Mpc^{-1}, H_0= 67 pm 10, km,s^{-1},Mpc^{-1} and H_0= 69 pm 6, km,s^{-1},Mpc^{-1}, respectively. The kernel posterior of the cosmic chronometers dataset prefers a non-stationary linear kernel. Finally, the datasets are shown to be not in tension with ln R=12.17pm 0.02.

  • 4 authors
·
Feb 11, 2024

ROOT: Rethinking Offline Optimization as Distributional Translation via Probabilistic Bridge

This paper studies the black-box optimization task which aims to find the maxima of a black-box function using a static set of its observed input-output pairs. This is often achieved via learning and optimizing a surrogate function with that offline data. Alternatively, it can also be framed as an inverse modeling task that maps a desired performance to potential input candidates that achieve it. Both approaches are constrained by the limited amount of offline data. To mitigate this limitation, we introduce a new perspective that casts offline optimization as a distributional translation task. This is formulated as learning a probabilistic bridge transforming an implicit distribution of low-value inputs (i.e., offline data) into another distribution of high-value inputs (i.e., solution candidates). Such probabilistic bridge can be learned using low- and high-value inputs sampled from synthetic functions that resemble the target function. These synthetic functions are constructed as the mean posterior of multiple Gaussian processes fitted with different parameterizations on the offline data, alleviating the data bottleneck. The proposed approach is evaluated on an extensive benchmark comprising most recent methods, demonstrating significant improvement and establishing a new state-of-the-art performance. Our code is publicly available at https://github.com/cuong-dm/ROOT.

  • 5 authors
·
Sep 19, 2025

Scaling Laws for Uncertainty in Deep Learning

Deep learning has recently revealed the existence of scaling laws, demonstrating that model performance follows predictable trends based on dataset and model sizes. Inspired by these findings and fascinating phenomena emerging in the over-parameterized regime, we examine a parallel direction: do similar scaling laws govern predictive uncertainties in deep learning? In identifiable parametric models, such scaling laws can be derived in a straightforward manner by treating model parameters in a Bayesian way. In this case, for example, we obtain O(1/N) contraction rates for epistemic uncertainty with respect to the number of data N. However, in over-parameterized models, these guarantees do not hold, leading to largely unexplored behaviors. In this work, we empirically show the existence of scaling laws associated with various measures of predictive uncertainty with respect to dataset and model sizes. Through experiments on vision and language tasks, we observe such scaling laws for in- and out-of-distribution predictive uncertainty estimated through popular approximate Bayesian inference and ensemble methods. Besides the elegance of scaling laws and the practical utility of extrapolating uncertainties to larger data or models, this work provides strong evidence to dispel recurring skepticism against Bayesian approaches: "In many applications of deep learning we have so much data available: what do we need Bayes for?". Our findings show that "so much data" is typically not enough to make epistemic uncertainty negligible.

  • 5 authors
·
Feb 8

The Slepian model based independent interval approximation of persistency and zero-level exceedance distributions

In physics and engineering literature, the distribution of the excursion-above-zero time distribution (exceedance distribution) for a stationary Gaussian process has been approximated by a stationary switching process with independently distributed switching times. The approach matched the covariance of the clipped Gaussian process with the one for the stationary switching process and the distribution of the latter was used as the so-called independent interval approximation (IIA). The approach successfully assessed the persistency exponent for many physically important processes but left an unanswered question when such an approach leads to a mathematically meaningful and proper exceedance distribution. Here we address this question by proposing an alternative matching of the expected values of the clipped Slepian process and the corresponding switched process initiated at the origin. The method has allowed resolving the mathematical correctness of the matching method for a large subclass of the Gaussian processes with monotonic covariance, for which we provide a sufficient condition for the validity of the IIA. Within this class, the IIA produces a valid distribution for the excursion time and is represented in an explicit stochastic form that connects directly to the covariance of the underlying Gaussian process. We compare the excursion level distributions as well as the corresponding persistency exponents obtained through the IIA method with numerically computed exact distributions, and the simulated distribution for several important Gaussian models. We also argue that for stationary Gaussian processes with a non-monotonic covariance, the IIA fails and should not be used.

  • 2 authors
·
Jan 3, 2024

Steady-State Behavior of Constant-Stepsize Stochastic Approximation: Gaussian Approximation and Tail Bounds

Constant-stepsize stochastic approximation (SA) is widely used in learning for computational efficiency. For a fixed stepsize, the iterates typically admit a stationary distribution that is rarely tractable. Prior work shows that as the stepsize αdownarrow 0, the centered-and-scaled steady state converges weakly to a Gaussian random vector. However, for fixed α, this weak convergence offers no usable error bound for approximating the steady-state by its Gaussian limit. This paper provides explicit, non-asymptotic error bounds for fixed α. We first prove general-purpose theorems that bound the Wasserstein distance between the centered-scaled steady state and an appropriate Gaussian distribution, under regularity conditions for drift and moment conditions for noise. To ensure broad applicability, we cover both i.i.d. and Markovian noise models. We then instantiate these theorems for three representative SA settings: (1) stochastic gradient descent (SGD) for smooth strongly convex objectives, (2) linear SA, and (3) contractive nonlinear SA. We obtain dimension- and stepsize-dependent, explicit bounds in Wasserstein distance of order α^{1/2}log(1/α) for small α. Building on the Wasserstein approximation error, we further derive non-uniform Berry--Esseen-type tail bounds that compare the steady-state tail probability to Gaussian tails. We achieve an explicit error term that decays in both the deviation level and stepsize α. We adapt the same analysis for SGD beyond strongly convexity and study general convex objectives. We identify a non-Gaussian (Gibbs) limiting law under the correct scaling, which is validated numerically, and provide a corresponding pre-limit Wasserstein error bound.

  • 6 authors
·
Feb 14

Weighted least-squares approximation with determinantal point processes and generalized volume sampling

We consider the problem of approximating a function from L^2 by an element of a given m-dimensional space V_m, associated with some feature map varphi, using evaluations of the function at random points x_1,dots,x_n. After recalling some results on optimal weighted least-squares using independent and identically distributed points, we consider weighted least-squares using projection determinantal point processes (DPP) or volume sampling. These distributions introduce dependence between the points that promotes diversity in the selected features varphi(x_i). We first provide a generalized version of volume-rescaled sampling yielding quasi-optimality results in expectation with a number of samples n = O(mlog(m)), that means that the expected L^2 error is bounded by a constant times the best approximation error in L^2. Also, further assuming that the function is in some normed vector space H continuously embedded in L^2, we further prove that the approximation is almost surely bounded by the best approximation error measured in the H-norm. This includes the cases of functions from L^infty or reproducing kernel Hilbert spaces. Finally, we present an alternative strategy consisting in using independent repetitions of projection DPP (or volume sampling), yielding similar error bounds as with i.i.d. or volume sampling, but in practice with a much lower number of samples. Numerical experiments illustrate the performance of the different strategies.

  • 2 authors
·
Dec 21, 2023

Kernel Density Estimators in Large Dimensions

This paper studies Kernel density estimation for a high-dimensional distribution rho(x). Traditional approaches have focused on the limit of large number of data points n and fixed dimension d. We analyze instead the regime where both the number n of data points y_i and their dimensionality d grow with a fixed ratio alpha=(log n)/d. Our study reveals three distinct statistical regimes for the kernel-based estimate of the density hat rho_h^{D}(x)=1{n h^d}sum_{i=1}^n Kleft(x-y_i{h}right), depending on the bandwidth h: a classical regime for large bandwidth where the Central Limit Theorem (CLT) holds, which is akin to the one found in traditional approaches. Below a certain value of the bandwidth, h_{CLT}(alpha), we find that the CLT breaks down. The statistics of hat rho_h^{D}(x) for a fixed x drawn from rho(x) is given by a heavy-tailed distribution (an alpha-stable distribution). In particular below a value h_G(alpha), we find that hat rho_h^{D}(x) is governed by extreme value statistics: only a few points in the database matter and give the dominant contribution to the density estimator. We provide a detailed analysis for high-dimensional multivariate Gaussian data. We show that the optimal bandwidth threshold based on Kullback-Leibler divergence lies in the new statistical regime identified in this paper. Our findings reveal limitations of classical approaches, show the relevance of these new statistical regimes, and offer new insights for Kernel density estimation in high-dimensional settings.

  • 2 authors
·
Aug 11, 2024

A Discriminative Approach to Bayesian Filtering with Applications to Human Neural Decoding

Given a stationary state-space model that relates a sequence of hidden states and corresponding measurements or observations, Bayesian filtering provides a principled statistical framework for inferring the posterior distribution of the current state given all measurements up to the present time. For example, the Apollo lunar module implemented a Kalman filter to infer its location from a sequence of earth-based radar measurements and land safely on the moon. To perform Bayesian filtering, we require a measurement model that describes the conditional distribution of each observation given state. The Kalman filter takes this measurement model to be linear, Gaussian. Here we show how a nonlinear, Gaussian approximation to the distribution of state given observation can be used in conjunction with Bayes' rule to build a nonlinear, non-Gaussian measurement model. The resulting approach, called the Discriminative Kalman Filter (DKF), retains fast closed-form updates for the posterior. We argue there are many cases where the distribution of state given measurement is better-approximated as Gaussian, especially when the dimensionality of measurements far exceeds that of states and the Bernstein-von Mises theorem applies. Online neural decoding for brain-computer interfaces provides a motivating example, where filtering incorporates increasingly detailed measurements of neural activity to provide users control over external devices. Within the BrainGate2 clinical trial, the DKF successfully enabled three volunteers with quadriplegia to control an on-screen cursor in real-time using mental imagery alone. Participant "T9" used the DKF to type out messages on a tablet PC.

  • 1 authors
·
Jul 16, 2018

HyperGaussians: High-Dimensional Gaussian Splatting for High-Fidelity Animatable Face Avatars

We introduce HyperGaussians, a novel extension of 3D Gaussian Splatting for high-quality animatable face avatars. Creating such detailed face avatars from videos is a challenging problem and has numerous applications in augmented and virtual reality. While tremendous successes have been achieved for static faces, animatable avatars from monocular videos still fall in the uncanny valley. The de facto standard, 3D Gaussian Splatting (3DGS), represents a face through a collection of 3D Gaussian primitives. 3DGS excels at rendering static faces, but the state-of-the-art still struggles with nonlinear deformations, complex lighting effects, and fine details. While most related works focus on predicting better Gaussian parameters from expression codes, we rethink the 3D Gaussian representation itself and how to make it more expressive. Our insights lead to a novel extension of 3D Gaussians to high-dimensional multivariate Gaussians, dubbed 'HyperGaussians'. The higher dimensionality increases expressivity through conditioning on a learnable local embedding. However, splatting HyperGaussians is computationally expensive because it requires inverting a high-dimensional covariance matrix. We solve this by reparameterizing the covariance matrix, dubbed the 'inverse covariance trick'. This trick boosts the efficiency so that HyperGaussians can be seamlessly integrated into existing models. To demonstrate this, we plug in HyperGaussians into the state-of-the-art in fast monocular face avatars: FlashAvatar. Our evaluation on 19 subjects from 4 face datasets shows that HyperGaussians outperform 3DGS numerically and visually, particularly for high-frequency details like eyeglass frames, teeth, complex facial movements, and specular reflections.

  • 2 authors
·
Jul 3, 2025

Transformers Can Do Bayesian Inference

Currently, it is hard to reap the benefits of deep learning for Bayesian methods, which allow the explicit specification of prior knowledge and accurately capture model uncertainty. We present Prior-Data Fitted Networks (PFNs). PFNs leverage large-scale machine learning techniques to approximate a large set of posteriors. The only requirement for PFNs to work is the ability to sample from a prior distribution over supervised learning tasks (or functions). Our method restates the objective of posterior approximation as a supervised classification problem with a set-valued input: it repeatedly draws a task (or function) from the prior, draws a set of data points and their labels from it, masks one of the labels and learns to make probabilistic predictions for it based on the set-valued input of the rest of the data points. Presented with a set of samples from a new supervised learning task as input, PFNs make probabilistic predictions for arbitrary other data points in a single forward propagation, having learned to approximate Bayesian inference. We demonstrate that PFNs can near-perfectly mimic Gaussian processes and also enable efficient Bayesian inference for intractable problems, with over 200-fold speedups in multiple setups compared to current methods. We obtain strong results in very diverse areas such as Gaussian process regression, Bayesian neural networks, classification for small tabular data sets, and few-shot image classification, demonstrating the generality of PFNs. Code and trained PFNs are released at https://github.com/automl/TransformersCanDoBayesianInference.

  • 5 authors
·
Dec 20, 2021

Compact 3D Scene Representation via Self-Organizing Gaussian Grids

3D Gaussian Splatting has recently emerged as a highly promising technique for modeling of static 3D scenes. In contrast to Neural Radiance Fields, it utilizes efficient rasterization allowing for very fast rendering at high-quality. However, the storage size is significantly higher, which hinders practical deployment, e.g.~on resource constrained devices. In this paper, we introduce a compact scene representation organizing the parameters of 3D Gaussian Splatting (3DGS) into a 2D grid with local homogeneity, ensuring a drastic reduction in storage requirements without compromising visual quality during rendering. Central to our idea is the explicit exploitation of perceptual redundancies present in natural scenes. In essence, the inherent nature of a scene allows for numerous permutations of Gaussian parameters to equivalently represent it. To this end, we propose a novel highly parallel algorithm that regularly arranges the high-dimensional Gaussian parameters into a 2D grid while preserving their neighborhood structure. During training, we further enforce local smoothness between the sorted parameters in the grid. The uncompressed Gaussians use the same structure as 3DGS, ensuring a seamless integration with established renderers. Our method achieves a reduction factor of 8x to 26x in size for complex scenes with no increase in training time, marking a substantial leap forward in the domain of 3D scene distribution and consumption. Additional information can be found on our project page: https://fraunhoferhhi.github.io/Self-Organizing-Gaussians/

  • 4 authors
·
Dec 19, 2023

NoPA: Non-Parametric Online 3D Scene Graph Generation

Classic 3D scene graph generation approaches fail to work in real-time due to the heavy computational cost of environment mapping and the need to generate intermediate point-cloud representations. To alleviate this issue, a recent work eschews point clouds in favor of a lightweight Gaussian distribution for each object. This approximation drastically speeds up inference and enables real-time 3D scene graph generation. However, the representation has two key weaknesses. 1) Each object is approximated by a single 3D Gaussian, which causes a severe loss of 3D geometric detail. 2) The discrepancy between this approximation and the true object geometry exacerbates the inaccurate merging of object candidates during online inference. To address these issues, we propose NoPA, which represents each object as a separate non-parametric distribution. This formulation retains 3D geometric information while preserving real-time inference of the parametric Gaussian formulation. To build upon our novel object representation, we propose a tailored merging strategy to recover coherent object instances. Specifically, we leverage maximum mean discrepancy on kernel density estimates to enable robust merging of object candidates during online exploration while minimizing added computational complexity. The key is to maintain a fixed particle set per object. Furthermore, to rectify the relation loss caused by misclassified objects, NoPA propagates relationships between objects with high affinity. Experiments show that NoPA substantially outperforms current methods without sacrificing real-time inference speed.

DAO-GP Drift Aware Online Non-Linear Regression Gaussian-Process

Real-world datasets often exhibit temporal dynamics characterized by evolving data distributions. Disregarding this phenomenon, commonly referred to as concept drift, can significantly diminish a model's predictive accuracy. Furthermore, the presence of hyperparameters in online models exacerbates this issue. These parameters are typically fixed and cannot be dynamically adjusted by the user in response to the evolving data distribution. Gaussian Process (GP) models offer powerful non-parametric regression capabilities with uncertainty quantification, making them ideal for modeling complex data relationships in an online setting. However, conventional online GP methods face several critical limitations, including a lack of drift-awareness, reliance on fixed hyperparameters, vulnerability to data snooping, absence of a principled decay mechanism, and memory inefficiencies. In response, we propose DAO-GP (Drift-Aware Online Gaussian Process), a novel, fully adaptive, hyperparameter-free, decayed, and sparse non-linear regression model. DAO-GP features a built-in drift detection and adaptation mechanism that dynamically adjusts model behavior based on the severity of drift. Extensive empirical evaluations confirm DAO-GP's robustness across stationary conditions, diverse drift types (abrupt, incremental, gradual), and varied data characteristics. Analyses demonstrate its dynamic adaptation, efficient in-memory and decay-based management, and evolving inducing points. Compared with state-of-the-art parametric and non-parametric models, DAO-GP consistently achieves superior or competitive performance, establishing it as a drift-resilient solution for online non-linear regression.

  • 3 authors
·
Dec 8, 2025

Gaussian Splatting with NeRF-based Color and Opacity

Neural Radiance Fields (NeRFs) have demonstrated the remarkable potential of neural networks to capture the intricacies of 3D objects. By encoding the shape and color information within neural network weights, NeRFs excel at producing strikingly sharp novel views of 3D objects. Recently, numerous generalizations of NeRFs utilizing generative models have emerged, expanding its versatility. In contrast, Gaussian Splatting (GS) offers a similar render quality with faster training and inference as it does not need neural networks to work. It encodes information about the 3D objects in the set of Gaussian distributions that can be rendered in 3D similarly to classical meshes. Unfortunately, GS are difficult to condition since they usually require circa hundred thousand Gaussian components. To mitigate the caveats of both models, we propose a hybrid model Viewing Direction Gaussian Splatting (VDGS) that uses GS representation of the 3D object's shape and NeRF-based encoding of color and opacity. Our model uses Gaussian distributions with trainable positions (i.e. means of Gaussian), shape (i.e. covariance of Gaussian), color and opacity, and a neural network that takes Gaussian parameters and viewing direction to produce changes in the said color and opacity. As a result, our model better describes shadows, light reflections, and the transparency of 3D objects without adding additional texture and light components.

  • 5 authors
·
Dec 21, 2023

MatSpray: Fusing 2D Material World Knowledge on 3D Geometry

Manual modeling of material parameters and 3D geometry is a time consuming yet essential task in the gaming and film industries. While recent advances in 3D reconstruction have enabled accurate approximations of scene geometry and appearance, these methods often fall short in relighting scenarios due to the lack of precise, spatially varying material parameters. At the same time, diffusion models operating on 2D images have shown strong performance in predicting physically based rendering (PBR) properties such as albedo, roughness, and metallicity. However, transferring these 2D material maps onto reconstructed 3D geometry remains a significant challenge. We propose a framework for fusing 2D material data into 3D geometry using a combination of novel learning-based and projection-based approaches. We begin by reconstructing scene geometry via Gaussian Splatting. From the input images, a diffusion model generates 2D maps for albedo, roughness, and metallic parameters. Any existing diffusion model that can convert images or videos to PBR materials can be applied. The predictions are further integrated into the 3D representation either by optimizing an image-based loss or by directly projecting the material parameters onto the Gaussians using Gaussian ray tracing. To enhance fine-scale accuracy and multi-view consistency, we further introduce a light-weight neural refinement step (Neural Merger), which takes ray-traced material features as input and produces detailed adjustments. Our results demonstrate that the proposed methods outperform existing techniques in both quantitative metrics and perceived visual realism. This enables more accurate, relightable, and photorealistic renderings from reconstructed scenes, significantly improving the realism and efficiency of asset creation workflows in content production pipelines.

CGTuebingen CG Tübingen
·
Dec 20, 2025 2

Taming 3DGS: High-Quality Radiance Fields with Limited Resources

3D Gaussian Splatting (3DGS) has transformed novel-view synthesis with its fast, interpretable, and high-fidelity rendering. However, its resource requirements limit its usability. Especially on constrained devices, training performance degrades quickly and often cannot complete due to excessive memory consumption of the model. The method converges with an indefinite number of Gaussians -- many of them redundant -- making rendering unnecessarily slow and preventing its usage in downstream tasks that expect fixed-size inputs. To address these issues, we tackle the challenges of training and rendering 3DGS models on a budget. We use a guided, purely constructive densification process that steers densification toward Gaussians that raise the reconstruction quality. Model size continuously increases in a controlled manner towards an exact budget, using score-based densification of Gaussians with training-time priors that measure their contribution. We further address training speed obstacles: following a careful analysis of 3DGS' original pipeline, we derive faster, numerically equivalent solutions for gradient computation and attribute updates, including an alternative parallelization for efficient backpropagation. We also propose quality-preserving approximations where suitable to reduce training time even further. Taken together, these enhancements yield a robust, scalable solution with reduced training times, lower compute and memory requirements, and high quality. Our evaluation shows that in a budgeted setting, we obtain competitive quality metrics with 3DGS while achieving a 4--5x reduction in both model size and training time. With more generous budgets, our measured quality surpasses theirs. These advances open the door for novel-view synthesis in constrained environments, e.g., mobile devices.

  • 6 authors
·
Jun 21, 2024