new

Get trending papers in your email inbox!

Subscribe

Daily Papers

byAK and the research community

Jul 29

\texttt{Pz Cats}: Photometric redshift catalogs based on DES Y3 BAO sample

The photometric redshift estimation (photo-z) has been developed over the years with various methods. In this work, we analyse four different photo-z estimators using the Dark Energy Survey Y3 BAO Sample: ANNz2, BPZ, ENF, and DNF. Unlike what is usually found in the literature, we investigate the possibility of selecting the best galaxies according to their redshift Probability Distribution Function (PDF). We selected 25,760 galaxies from four different spectroscopic surveys and cross-matched them with the photo-z sample. These galaxies served to understand the redshift bias and its 68th percentile sigma_{68}. We found that within a range of 0.79<z_p<0.85 there is the lowest sigma for all the estimators we analysed. DNF has the biggest absolute value of the bias (sigma), while ENF, ANNz2 and BPZ lose precision for a redshift range below 0.7 and higher than 0.9. If one wants to pick the best galaxies by removing the bins with the worst bias, one will find that ANNz2 is the most robust algorithm for all chosen criteria. When selecting the best PDFs, the resulting sub-samples gave BPZ with more selected objects. ANNz2 shows better precision, ENF has the worst selection of Gaussian PDFs, with very few galaxies left for an LSS study. We also showed that even though the PDFs are smooth, there are catastrophic redshift results. Lastly, DNF is the worst in precision but with sufficient galaxies for cosmological analysis. We also selected galaxies whose PDFs have only secondary peaks not bigger than 30\% of the main peak height, called Small Peaks. For these sub-samples, ANNz2 outperformed the other algorithms. We will make all catalogs publicly available through the package Pz Cats.

  • 2 authors
·
Jan 7, 2025

FLUX3D: High-Fidelity 3D Gaussian Generation with Diffusion-Aligned Sparse Representation

Sparse voxel representation has emerged as a scalable foundation for image-to-3D Gaussian Splatting (3DGS) generation, yet current methods struggle to preserve high-frequency visual details of input images due to two structural bottlenecks. First, they adopt discriminative 2D features optimized for semantic abstraction to construct sparse voxel latents, which suppress reconstructive cues and induce a representation bottleneck. Second, in the generation stage, standard diffusion transformers lack effective mechanisms to align dense 2D image tokens with sparse 3D voxel latents, resulting in a cross-modal correspondence bottleneck. To address these issues, we propose FLUX3D, a scalable image-to-3DGS framework that boosts both representation learning and cross-modal alignment during generation. We first revisit 2D feature selection for sparse-voxel-based 3D representation learning, propose Diffusion-Aligned Structured Latents (DA-SLAT) and couple it with a decoder-only architecture to improve 3DGS reconstruction fidelity. We also design a sparse-structure-aware diffusion framework, which integrates the Sparse-structure Multimodal Diffusion Transformer (SMDiT) and Modal-Aware Rotary Positional Embedding (MARoPE) to achieve geometry-agnostic 2D-3D alignment. Extensive benchmark experiments demonstrate that FLUX3D yields substantial improvements in appearance fidelity and significantly outperforms all state-of-the-art (SOTA) methods in generating high-quality 3DGS assets.

ByteDance ByteDance
·
Jun 22

Avoiding tipping points in fisheries management through Gaussian Process Dynamic Programming

Model uncertainty and limited data are fundamental challenges to robust management of human intervention in a natural system. These challenges are acutely highlighted by concerns that many ecological systems may contain tipping points, such as Allee population sizes. Before a collapse, we do not know where the tipping points lie, if they exist at all. Hence, we know neither a complete model of the system dynamics nor do we have access to data in some large region of state-space where such a tipping point might exist. We illustrate how a Bayesian Non-Parametric (BNP) approach using a Gaussian Process (GP) prior provides a flexible representation of this inherent uncertainty. We embed GPs in a Stochastic Dynamic Programming (SDP) framework in order to make robust management predictions with both model uncertainty and limited data. We use simulations to evaluate this approach as compared with the standard approach of using model selection to choose from a set of candidate models. We find that model selection erroneously favors models without tipping points -- leading to harvest policies that guarantee extinction. The GPDP performs nearly as well as the true model and significantly outperforms standard approaches. We illustrate this using examples of simulated single-species dynamics, where the standard model selection approach should be most effective, and find that it still fails to account for uncertainty appropriately and leads to population crashes, while management based on the GPDP does not, since it does not underestimate the uncertainty outside of the observed data.

  • 3 authors
·
Dec 27, 2014

OptiPrune: Boosting Prompt-Image Consistency with Attention-Guided Noise and Dynamic Token Selection

Text-to-image diffusion models often struggle to achieve accurate semantic alignment between generated images and text prompts while maintaining efficiency for deployment on resource-constrained hardware. Existing approaches either incur substantial computational overhead through noise optimization or compromise semantic fidelity by aggressively pruning tokens. In this work, we propose OptiPrune, a unified framework that combines distribution-aware initial noise optimization with similarity-based token pruning to address both challenges simultaneously. Specifically, (1) we introduce a distribution-aware noise optimization module guided by attention scores to steer the initial latent noise toward semantically meaningful regions, mitigating issues such as subject neglect and feature entanglement; (2) we design a hardware-efficient token pruning strategy that selects representative base tokens via patch-wise similarity, injects randomness to enhance generalization, and recovers pruned tokens using maximum similarity copying before attention operations. Our method preserves the Gaussian prior during noise optimization and enables efficient inference without sacrificing alignment quality. Experiments on benchmark datasets, including Animal-Animal, demonstrate that OptiPrune achieves state-of-the-art prompt-image consistency with significantly reduced computational cost.

  • 1 authors
·
Jul 1, 2025

Asset price movement prediction using empirical mode decomposition and Gaussian mixture models

We investigated the use of Empirical Mode Decomposition (EMD) combined with Gaussian Mixture Models (GMM), feature engineering and machine learning algorithms to optimize trading decisions. We used five, two, and one year samples of hourly candle data for GameStop, Tesla, and XRP (Ripple) markets respectively. Applying a 15 hour rolling window for each market, we collected several features based on a linear model and other classical features to predict the next hour's movement. Subsequently, a GMM filtering approach was used to identify clusters among these markets. For each cluster, we applied the EMD algorithm to extract high, medium, low and trend components from each feature collected. A simple thresholding algorithm was applied to classify market movements based on the percentage change in each market's close price. We then evaluated the performance of various machine learning models, including Random Forests (RF) and XGBoost, in classifying market movements. A naive random selection of trading decisions was used as a benchmark, which assumed equal probabilities for each outcome, and a temporal cross-validation approach was used to test models on 40%, 30%, and 20% of the dataset. Our results indicate that transforming selected features using EMD improves performance, particularly for ensemble learning algorithms like Random Forest and XGBoost, as measured by accumulated profit. Finally, GMM filtering expanded the range of learning algorithm and data source combinations that outperformed the top percentile of the random baseline.

  • 3 authors
·
Mar 25, 2025

Towards Multi-Granularity Memory Association and Selection for Long-Term Conversational Agents

Large Language Models (LLMs) have recently been widely adopted in conversational agents. However, the increasingly long interactions between users and agents accumulate extensive dialogue records, making it difficult for LLMs with limited context windows to maintain a coherent long-term dialogue memory and deliver personalized responses. While retrieval-augmented memory systems have emerged to address this issue, existing methods often depend on single-granularity memory segmentation and retrieval. This approach falls short in capturing deep memory connections, leading to partial retrieval of useful information or substantial noise, resulting in suboptimal performance. To tackle these limits, we propose MemGAS, a framework that enhances memory consolidation by constructing multi-granularity association, adaptive selection, and retrieval. MemGAS is based on multi-granularity memory units and employs Gaussian Mixture Models to cluster and associate new memories with historical ones. An entropy-based router adaptively selects optimal granularity by evaluating query relevance distributions and balancing information completeness and noise. Retrieved memories are further refined via LLM-based filtering. Experiments on four long-term memory benchmarks demonstrate that MemGAS outperforms state-of-the-art methods on both question answer and retrieval tasks, achieving superior performance across different query types and top-K settings.

  • 11 authors
·
May 26, 2025

MVGS: Multi-view-regulated Gaussian Splatting for Novel View Synthesis

Recent works in volume rendering, e.g. NeRF and 3D Gaussian Splatting (3DGS), significantly advance the rendering quality and efficiency with the help of the learned implicit neural radiance field or 3D Gaussians. Rendering on top of an explicit representation, the vanilla 3DGS and its variants deliver real-time efficiency by optimizing the parametric model with single-view supervision per iteration during training which is adopted from NeRF. Consequently, certain views are overfitted, leading to unsatisfying appearance in novel-view synthesis and imprecise 3D geometries. To solve aforementioned problems, we propose a new 3DGS optimization method embodying four key novel contributions: 1) We transform the conventional single-view training paradigm into a multi-view training strategy. With our proposed multi-view regulation, 3D Gaussian attributes are further optimized without overfitting certain training views. As a general solution, we improve the overall accuracy in a variety of scenarios and different Gaussian variants. 2) Inspired by the benefit introduced by additional views, we further propose a cross-intrinsic guidance scheme, leading to a coarse-to-fine training procedure concerning different resolutions. 3) Built on top of our multi-view regulated training, we further propose a cross-ray densification strategy, densifying more Gaussian kernels in the ray-intersect regions from a selection of views. 4) By further investigating the densification strategy, we found that the effect of densification should be enhanced when certain views are distinct dramatically. As a solution, we propose a novel multi-view augmented densification strategy, where 3D Gaussians are encouraged to get densified to a sufficient number accordingly, resulting in improved reconstruction accuracy.

  • 3 authors
·
Oct 2, 2024 3

From Instance Selection to Fixed-Pool Data Recipe Search for Supervised Fine-Tuning

Supervised fine-tuning (SFT) data selection is commonly formulated as instance ranking: score each example and retain a top-k subset. However, effective SFT training subsets are often produced through ordered curation recipes, where filtering, mixing, and deduplication operators jointly shape the final data distribution. We formulate this problem as fixed-pool data recipe search: given a raw instruction pool and a library of grounded operators, the goal is to discover an executable recipe that constructs a high-quality selected subset under a limited budget of full SFT evaluations, without generating, rewriting, or augmenting training samples. We introduce AutoSelection, a two-layer solver that decouples fixed-pool materialization based on cached task-, data-, and model-side signals from expensive full evaluation, using warmup probes, realized subset states, local recipe edits, Gaussian-process-assisted ranking, and stagnation-triggered reseeding. Experiments on a 90K instruction pool show that AutoSelection achieves the strongest in-distribution reasoning average across three base models, outperforming full-data training, random recipe search, random top-k, and single-operator selectors. Additional Out-of-distribution graph-reasoning results, search-stability analyses, structural ablations, and 1.5B-to-7B transfer checks further show that recipe structure matters beyond individual selection operators. Code is available at https://github.com/w253/AutoSelection.

  • 4 authors
·
May 12 1

SplatWeaver: Learning to Allocate Gaussian Primitives for Generalizable Novel View Synthesis

Generalizable novel view synthesis aims to render unseen views from uncalibrated input images without requiring per-scene optimization. Recent feed-forward approaches based on 3D Gaussian Splatting have achieved promising efficiency and rendering quality. However, most of them assign a fixed number of Gaussians to each pixel or voxel, ignoring the spatially varying complexity of real-world scenes. Such uniform allocation often wastes Gaussian primitives in smooth regions while providing insufficient capacity for fine structures, complex geometry, and high-frequency details. This motivates us to predict region-dependent primitive cardinalities rather than impose a fixed primitive budget everywhere, enabling a more expressive yet compact 3D scene representation. Therefore, we propose SplatWeaver, a generalizable novel view synthesis framework that is able to dynamically allocate Gaussian primitives over different regions in a feed-forward manner. Specifically, SplatWeaver introduces cardinality Gaussian experts and a pixel-level routing scheme, wherein each expert specializes in producing a specific number of primitives from 0 to M, and the routing scheme coordinates these experts to adaptively determine how many Gaussian primitives should be allocated to each spatial location. Moreover, SplatWeaver incorporates a high-frequency prior with attendant guidance module and routing regularization to stabilize expert selection and promote complexity-aware allocation. By leveraging high-frequency structural cues, the routing process is encouraged to assign more Gaussian primitives to fine structures, complex geometry, and textured regions, while suppressing redundant primitives in smooth areas. Extensive experiments across diverse scenarios show that SplatWeaver consistently outperforms state-of-the-art methods, delivering more faithful novel-view renderings with fewer Gaussian primitives.

G4Splat: Geometry-Guided Gaussian Splatting with Generative Prior

Despite recent advances in leveraging generative prior from pre-trained diffusion models for 3D scene reconstruction, existing methods still face two critical limitations. First, due to the lack of reliable geometric supervision, they struggle to produce high-quality reconstructions even in observed regions, let alone in unobserved areas. Second, they lack effective mechanisms to mitigate multi-view inconsistencies in the generated images, leading to severe shape-appearance ambiguities and degraded scene geometry. In this paper, we identify accurate geometry as the fundamental prerequisite for effectively exploiting generative models to enhance 3D scene reconstruction. We first propose to leverage the prevalence of planar structures to derive accurate metric-scale depth maps, providing reliable supervision in both observed and unobserved regions. Furthermore, we incorporate this geometry guidance throughout the generative pipeline to improve visibility mask estimation, guide novel view selection, and enhance multi-view consistency when inpainting with video diffusion models, resulting in accurate and consistent scene completion. Extensive experiments on Replica, ScanNet++, and DeepBlending show that our method consistently outperforms existing baselines in both geometry and appearance reconstruction, particularly for unobserved regions. Moreover, our method naturally supports single-view inputs and unposed videos, with strong generalizability in both indoor and outdoor scenarios with practical real-world applicability. The project page is available at https://dali-jack.github.io/g4splat-web/.

  • 7 authors
·
Oct 13, 2025

Learning Active Subspaces and Discovering Important Features with Gaussian Radial Basis Functions Neural Networks

Providing a model that achieves a strong predictive performance and is simultaneously interpretable by humans is one of the most difficult challenges in machine learning research due to the conflicting nature of these two objectives. To address this challenge, we propose a modification of the radial basis function neural network model by equipping its Gaussian kernel with a learnable precision matrix. We show that precious information is contained in the spectrum of the precision matrix that can be extracted once the training of the model is completed. In particular, the eigenvectors explain the directions of maximum sensitivity of the model revealing the active subspace and suggesting potential applications for supervised dimensionality reduction. At the same time, the eigenvectors highlight the relationship in terms of absolute variation between the input and the latent variables, thereby allowing us to extract a ranking of the input variables based on their importance to the prediction task enhancing the model interpretability. We conducted numerical experiments for regression, classification, and feature selection tasks, comparing our model against popular machine learning models, the state-of-the-art deep learning-based embedding feature selection techniques, and a transformer model for tabular data. Our results demonstrate that the proposed model does not only yield an attractive prediction performance compared to the competitors but also provides meaningful and interpretable results that potentially could assist the decision-making process in real-world applications. A PyTorch implementation of the model is available on GitHub at the following link. https://github.com/dannyzx/Gaussian-RBFNN

  • 3 authors
·
Jul 11, 2023

RAP: Fast Feedforward Rendering-Free Attribute-Guided Primitive Importance Score Prediction for Efficient 3D Gaussian Splatting Processing

3D Gaussian Splatting (3DGS) has emerged as a leading technology for high-quality 3D scene reconstruction. However, the iterative refinement and densification process leads to the generation of a large number of primitives, each contributing to the reconstruction to a substantially different extent. Estimating primitive importance is thus crucial, both for removing redundancy during reconstruction and for enabling efficient compression and transmission. Existing methods typically rely on rendering-based analyses, where each primitive is evaluated through its contribution across multiple camera viewpoints. However, such methods are sensitive to the number and selection of views, rely on specialized differentiable rasterizers, and have long calculation times that grow linearly with view count, making them difficult to integrate as plug-and-play modules and limiting scalability and generalization. To address these issues, we propose RAP, a fast feedforward rendering-free attribute-guided method for efficient importance score prediction in 3DGS. RAP infers primitive significance directly from intrinsic Gaussian attributes and local neighborhood statistics, avoiding rendering-based or visibility-dependent computations. A compact MLP predicts per-primitive importance scores using rendering loss, pruning-aware loss, and significance distribution regularization. After training on a small set of scenes, RAP generalizes effectively to unseen data and can be seamlessly integrated into reconstruction, compression, and transmission pipelines. Our code is publicly available at https://github.com/yyyykf/RAP.

  • 4 authors
·
Feb 23

6DOPE-GS: Online 6D Object Pose Estimation using Gaussian Splatting

Efficient and accurate object pose estimation is an essential component for modern vision systems in many applications such as Augmented Reality, autonomous driving, and robotics. While research in model-based 6D object pose estimation has delivered promising results, model-free methods are hindered by the high computational load in rendering and inferring consistent poses of arbitrary objects in a live RGB-D video stream. To address this issue, we present 6DOPE-GS, a novel method for online 6D object pose estimation \& tracking with a single RGB-D camera by effectively leveraging advances in Gaussian Splatting. Thanks to the fast differentiable rendering capabilities of Gaussian Splatting, 6DOPE-GS can simultaneously optimize for 6D object poses and 3D object reconstruction. To achieve the necessary efficiency and accuracy for live tracking, our method uses incremental 2D Gaussian Splatting with an intelligent dynamic keyframe selection procedure to achieve high spatial object coverage and prevent erroneous pose updates. We also propose an opacity statistic-based pruning mechanism for adaptive Gaussian density control, to ensure training stability and efficiency. We evaluate our method on the HO3D and YCBInEOAT datasets and show that 6DOPE-GS matches the performance of state-of-the-art baselines for model-free simultaneous 6D pose tracking and reconstruction while providing a 5times speedup. We also demonstrate the method's suitability for live, dynamic object tracking and reconstruction in a real-world setting.

  • 5 authors
·
Dec 2, 2024

Applying the Polynomial Maximization Method to Estimate ARIMA Models with Asymmetric Non-Gaussian Innovations

Classical estimators for ARIMA parameters (MLE, CSS, OLS) assume Gaussian innovations, an assumption frequently violated in financial and economic data exhibiting asymmetric distributions with heavy tails. We develop and validate the second-order polynomial maximization method (PMM2) for estimating ARIMA(p,d,q) models with non-Gaussian innovations. PMM2 is a semiparametric technique that exploits higher-order moments and cumulants without requiring full distributional specification. Monte Carlo experiments (128,000 simulations) across sample sizes N in {100, 200, 500, 1000} and four innovation distributions demonstrate that PMM2 substantially outperforms classical methods for asymmetric innovations. For ARIMA(1,1,0) with N=500, relative efficiency reaches 1.58--1.90 for Gamma, lognormal, and χ^2(3) innovations (37--47\% variance reduction). Under Gaussian innovations PMM2 matches OLS efficiency, avoiding the precision loss typical of robust estimators. The method delivers major gains for moderate asymmetry (|γ_3| geq 0.5) and N geq 200, with computational costs comparable to MLE. PMM2 provides an effective alternative for time series with asymmetric innovations typical of financial markets, macroeconomic indicators, and industrial measurements. Future extensions include seasonal SARIMA models, GARCH integration, and automatic order selection.

  • 1 authors
·
Nov 10, 2025 1

A LoD of Gaussians: Unified Training and Rendering for Ultra-Large Scale Reconstruction with External Memory

Gaussian Splatting has emerged as a high-performance technique for novel view synthesis, enabling real-time rendering and high-quality reconstruction of small scenes. However, scaling to larger environments has so far relied on partitioning the scene into chunks -- a strategy that introduces artifacts at chunk boundaries, complicates training across varying scales, and is poorly suited to unstructured scenarios such as city-scale flyovers combined with street-level views. Moreover, rendering remains fundamentally limited by GPU memory, as all visible chunks must reside in VRAM simultaneously. We introduce A LoD of Gaussians, a framework for training and rendering ultra-large-scale Gaussian scenes on a single consumer-grade GPU -- without partitioning. Our method stores the full scene out-of-core (e.g., in CPU memory) and trains a Level-of-Detail (LoD) representation directly, dynamically streaming only the relevant Gaussians. A hybrid data structure combining Gaussian hierarchies with Sequential Point Trees enables efficient, view-dependent LoD selection, while a lightweight caching and view scheduling system exploits temporal coherence to support real-time streaming and rendering. Together, these innovations enable seamless multi-scale reconstruction and interactive visualization of complex scenes -- from broad aerial views to fine-grained ground-level details.

  • 7 authors
·
Feb 16

MeanFuser: Fast One-Step Multi-Modal Trajectory Generation and Adaptive Reconstruction via MeanFlow for End-to-End Autonomous Driving

Generative models have shown great potential in trajectory planning. Recent studies demonstrate that anchor-guided generative models are effective in modeling the uncertainty of driving behaviors and improving overall performance. However, these methods rely on discrete anchor vocabularies that must sufficiently cover the trajectory distribution during testing to ensure robustness, inducing an inherent trade-off between vocabulary size and model performance. To overcome this limitation, we propose MeanFuser, an end-to-end autonomous driving method that enhances both efficiency and robustness through three key designs. (1) We introduce Gaussian Mixture Noise (GMN) to guide generative sampling, enabling a continuous representation of the trajectory space and eliminating the dependency on discrete anchor vocabularies. (2) We adapt ``MeanFlow Identity" to end-to-end planning, which models the mean velocity field between GMN and trajectory distribution instead of the instantaneous velocity field used in vanilla flow matching methods, effectively eliminating numerical errors from ODE solvers and significantly accelerating inference. (3) We design a lightweight Adaptive Reconstruction Module (ARM) that enables the model to implicitly select from all sampled proposals or reconstruct a new trajectory when none is satisfactory via attention weights.Experiments on the NAVSIM closed-loop benchmark demonstrate that MeanFuser achieves outstanding performance without the supervision of the PDM Score and exceptional inference efficiency, offering a robust and efficient solution for end-to-end autonomous driving. Our code and model are available at https://github.com/wjl2244/MeanFuser.

  • 12 authors
·
Mar 25

Efficient and Principled Scientific Discovery through Bayesian Optimization: A Tutorial

Traditional scientific discovery relies on an iterative hypothesise-experiment-refine cycle that has driven progress for centuries, but its intuitive, ad-hoc implementation often wastes resources, yields inefficient designs, and misses critical insights. This tutorial presents Bayesian Optimisation (BO), a principled probability-driven framework that formalises and automates this core scientific cycle. BO uses surrogate models (e.g., Gaussian processes) to model empirical observations as evolving hypotheses, and acquisition functions to guide experiment selection, balancing exploitation of known knowledge and exploration of uncharted domains to eliminate guesswork and manual trial-and-error. We first frame scientific discovery as an optimisation problem, then unpack BO's core components, end-to-end workflows, and real-world efficacy via case studies in catalysis, materials science, organic synthesis, and molecule discovery. We also cover critical technical extensions for scientific applications, including batched experimentation, heteroscedasticity, contextual optimisation, and human-in-the-loop integration. Tailored for a broad audience, this tutorial bridges AI advances in BO with practical natural science applications, offering tiered content to empower cross-disciplinary researchers to design more efficient experiments and accelerate principled scientific discovery.

  • 14 authors
·
Mar 31 2

Practical Bayesian Optimization of Machine Learning Algorithms

Machine learning algorithms frequently require careful tuning of model hyperparameters, regularization terms, and optimization parameters. Unfortunately, this tuning is often a "black art" that requires expert experience, unwritten rules of thumb, or sometimes brute-force search. Much more appealing is the idea of developing automatic approaches which can optimize the performance of a given learning algorithm to the task at hand. In this work, we consider the automatic tuning problem within the framework of Bayesian optimization, in which a learning algorithm's generalization performance is modeled as a sample from a Gaussian process (GP). The tractable posterior distribution induced by the GP leads to efficient use of the information gathered by previous experiments, enabling optimal choices about what parameters to try next. Here we show how the effects of the Gaussian process prior and the associated inference procedure can have a large impact on the success or failure of Bayesian optimization. We show that thoughtful choices can lead to results that exceed expert-level performance in tuning machine learning algorithms. We also describe new algorithms that take into account the variable cost (duration) of learning experiments and that can leverage the presence of multiple cores for parallel experimentation. We show that these proposed algorithms improve on previous automatic procedures and can reach or surpass human expert-level optimization on a diverse set of contemporary algorithms including latent Dirichlet allocation, structured SVMs and convolutional neural networks.

  • 3 authors
·
Aug 28, 2012

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

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

A Tutorial on Bayesian Optimization

Bayesian optimization is an approach to optimizing objective functions that take a long time (minutes or hours) to evaluate. It is best-suited for optimization over continuous domains of less than 20 dimensions, and tolerates stochastic noise in function evaluations. It builds a surrogate for the objective and quantifies the uncertainty in that surrogate using a Bayesian machine learning technique, Gaussian process regression, and then uses an acquisition function defined from this surrogate to decide where to sample. In this tutorial, we describe how Bayesian optimization works, including Gaussian process regression and three common acquisition functions: expected improvement, entropy search, and knowledge gradient. We then discuss more advanced techniques, including running multiple function evaluations in parallel, multi-fidelity and multi-information source optimization, expensive-to-evaluate constraints, random environmental conditions, multi-task Bayesian optimization, and the inclusion of derivative information. We conclude with a discussion of Bayesian optimization software and future research directions in the field. Within our tutorial material we provide a generalization of expected improvement to noisy evaluations, beyond the noise-free setting where it is more commonly applied. This generalization is justified by a formal decision-theoretic argument, standing in contrast to previous ad hoc modifications.

  • 1 authors
·
Jul 8, 2018

Concentration of Measure for Distributions Generated via Diffusion Models

We show via a combination of mathematical arguments and empirical evidence that data distributions sampled from diffusion models satisfy a Concentration of Measure Property saying that any Lipschitz 1-dimensional projection of a random vector is not too far from its mean with high probability. This implies that such models are quite restrictive and gives an explanation for a fact previously observed in the literature that conventional diffusion models cannot capture "heavy-tailed" data (i.e. data x for which the norm |x|_2 does not possess a sub-Gaussian tail) well. We then proceed to train a generalized linear model using stochastic gradient descent (SGD) on the diffusion-generated data for a multiclass classification task and observe empirically that a Gaussian universality result holds for the test error. In other words, the test error depends only on the first and second order statistics of the diffusion-generated data in the linear setting. Results of such forms are desirable because they allow one to assume the data itself is Gaussian for analyzing performance of the trained classifier. Finally, we note that current approaches to proving universality do not apply to this case as the covariance matrices of the data tend to have vanishing minimum singular values for the diffusion-generated data, while the current proofs assume that this is not the case (see Subsection 3.4 for more details). This leaves extending previous mathematical universality results as an intriguing open question.

  • 4 authors
·
Jan 13, 2025

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

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

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

GVGEN: Text-to-3D Generation with Volumetric Representation

In recent years, 3D Gaussian splatting has emerged as a powerful technique for 3D reconstruction and generation, known for its fast and high-quality rendering capabilities. To address these shortcomings, this paper introduces a novel diffusion-based framework, GVGEN, designed to efficiently generate 3D Gaussian representations from text input. We propose two innovative techniques:(1) Structured Volumetric Representation. We first arrange disorganized 3D Gaussian points as a structured form GaussianVolume. This transformation allows the capture of intricate texture details within a volume composed of a fixed number of Gaussians. To better optimize the representation of these details, we propose a unique pruning and densifying method named the Candidate Pool Strategy, enhancing detail fidelity through selective optimization. (2) Coarse-to-fine Generation Pipeline. To simplify the generation of GaussianVolume and empower the model to generate instances with detailed 3D geometry, we propose a coarse-to-fine pipeline. It initially constructs a basic geometric structure, followed by the prediction of complete Gaussian attributes. Our framework, GVGEN, demonstrates superior performance in qualitative and quantitative assessments compared to existing 3D generation methods. Simultaneously, it maintains a fast generation speed (sim7 seconds), effectively striking a balance between quality and efficiency.

  • 9 authors
·
Mar 19, 2024 1

GEMSS: A Variational Bayesian Method for Discovering Multiple Sparse Solutions in Classification and Regression Problems

High-dimensional, underdetermined and highly correlated systems are common in data science practice, especially when analyzing physical measurements. In such settings, feature selection poses a fundamental challenge because multiple distinct sparse subsets may explain the response equally well. Their identification is crucial not only for predictive modeling but also for generating domain-specific insights into the underlying mechanisms. Yet, conventional methods typically isolate a single solution, obscuring the full spectrum of plausible explanations. This work introduces GEMSS (Gaussian Ensemble for Multiple Sparse Solutions), a variational algorithm designed to simultaneously discover multiple, diverse sparse feature combinations. The method employs a structured spike-and-slab prior for sparsity, a mixture of Gaussians to approximate the intractable multimodal posterior, and a Jaccard-based penalty to further control solution diversity. A single objective function is optimized via stochastic gradient descent. The method is tested on 128 comprehensive experiments by a novel benchmarking framework designed to generate artificial problems with multiple sparse solutions of equal predictive properties. This allows us to measure the retrieval of ground truth features rather than only evaluating predictive performance -- characteristics more fitting to our practical needs. A comparative analysis shows that GEMSS consistently outperforms five prominent feature selection methods adapted through the ALFESE framework. Finally, we demonstrate practical usability through 3 challenging real-world datasets from metabolomics and physical chemistry: GEMSS successfully isolates multiple distinct yet quality solutions. GEMSS is available as a PyPI package 'gemss'. The corresponding repository github.com/kat-er-ina/gemss/ includes the full codebase and a free, no-code application GEMSS Explorer.

  • 2 authors
·
Jun 9

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

The Unreasonable Effectiveness of Gaussian Score Approximation for Diffusion Models and its Applications

By learning the gradient of smoothed data distributions, diffusion models can iteratively generate samples from complex distributions. The learned score function enables their generalization capabilities, but how the learned score relates to the score of the underlying data manifold remains largely unclear. Here, we aim to elucidate this relationship by comparing learned neural scores to the scores of two kinds of analytically tractable distributions: Gaussians and Gaussian mixtures. The simplicity of the Gaussian model makes it theoretically attractive, and we show that it admits a closed-form solution and predicts many qualitative aspects of sample generation dynamics. We claim that the learned neural score is dominated by its linear (Gaussian) approximation for moderate to high noise scales, and supply both theoretical and empirical arguments to support this claim. Moreover, the Gaussian approximation empirically works for a larger range of noise scales than naive theory suggests it should, and is preferentially learned early in training. At smaller noise scales, we observe that learned scores are better described by a coarse-grained (Gaussian mixture) approximation of training data than by the score of the training distribution, a finding consistent with generalization. Our findings enable us to precisely predict the initial phase of trained models' sampling trajectories through their Gaussian approximations. We show that this allows the skipping of the first 15-30% of sampling steps while maintaining high sample quality (with a near state-of-the-art FID score of 1.93 on CIFAR-10 unconditional generation). This forms the foundation of a novel hybrid sampling method, termed analytical teleportation, which can seamlessly integrate with and accelerate existing samplers, including DPM-Solver-v3 and UniPC. Our findings suggest ways to improve the design and training of diffusion models.

  • 2 authors
·
Dec 12, 2024

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

GIST: Targeted Data Selection for Instruction Tuning via Coupled Optimization Geometry

Targeted data selection has emerged as a crucial paradigm for efficient instruction tuning, aiming to identify a small yet influential subset of training examples for a specific target task. In practice, influence is often measured through the effect of an example on parameter updates. To make selection scalable, many approaches leverage optimizer statistics (e.g., Adam states) as an axis-aligned surrogate for update geometry (i.e., diagonal precondition), implicitly treating parameters as coordinate-wise independent. We show that this assumption breaks down in parameter-efficient fine-tuning (PEFT) methods such as LoRA. In this setting, the induced optimization geometry exhibits strong cross-parameter coupling with non-trivial off-diagonal interactions, while the task-relevant update directions are confined to a low-dimensional subspace. Motivated by this mismatch, we propose GIST (Gradient Isometric Subspace Transformation), a simple yet principled alternative that replaces axis-aligned scaling with robust subspace alignment. GIST recovers a task-specific subspace from validation gradients via spectral filtering (SVD), projects training gradients into this coupled subspace, and scores examples by their alignment with target directions.Extensive experiments have demonstrated that GIST matches or outperforms the state-of-the-art baseline with only 0.29% of the storage and 25% of the computational time under the same selection budget.

Sliced Wasserstein Estimation with Control Variates

The sliced Wasserstein (SW) distances between two probability measures are defined as the expectation of the Wasserstein distance between two one-dimensional projections of the two measures. The randomness comes from a projecting direction that is used to project the two input measures to one dimension. Due to the intractability of the expectation, Monte Carlo integration is performed to estimate the value of the SW distance. Despite having various variants, there has been no prior work that improves the Monte Carlo estimation scheme for the SW distance in terms of controlling its variance. To bridge the literature on variance reduction and the literature on the SW distance, we propose computationally efficient control variates to reduce the variance of the empirical estimation of the SW distance. The key idea is to first find Gaussian approximations of projected one-dimensional measures, then we utilize the closed-form of the Wasserstein-2 distance between two Gaussian distributions to design the control variates. In particular, we propose using a lower bound and an upper bound of the Wasserstein-2 distance between two fitted Gaussians as two computationally efficient control variates. We empirically show that the proposed control variate estimators can help to reduce the variance considerably when comparing measures over images and point-clouds. Finally, we demonstrate the favorable performance of the proposed control variate estimators in gradient flows to interpolate between two point-clouds and in deep generative modeling on standard image datasets, such as CIFAR10 and CelebA.

  • 2 authors
·
Apr 30, 2023

B4: Towards Optimal Assessment of Plausible Code Solutions with Plausible Tests

Selecting the best code solution from multiple generated ones is an essential task in code generation, which can be achieved by using some reliable validators (e.g., developer-written test cases) for assistance. Since reliable test cases are not always available and can be expensive to build in practice, researchers propose to automatically generate test cases to assess code solutions. However, when both code solutions and test cases are plausible and not reliable, selecting the best solution becomes challenging. Although some heuristic strategies have been proposed to tackle this problem, they lack a strong theoretical guarantee and it is still an open question whether an optimal selection strategy exists. Our work contributes in two ways. First, we show that within a Bayesian framework, the optimal selection strategy can be defined based on the posterior probability of the observed passing states between solutions and tests. The problem of identifying the best solution is then framed as an integer programming problem. Second, we propose an efficient approach for approximating this optimal (yet uncomputable) strategy, where the approximation error is bounded by the correctness of prior knowledge. We then incorporate effective prior knowledge to tailor code generation tasks. Both theoretical and empirical studies confirm that existing heuristics are limited in selecting the best solutions with plausible test cases. Our proposed approximated optimal strategy B4 significantly surpasses existing heuristics in selecting code solutions generated by large language models (LLMs) with LLM-generated tests, achieving a relative performance improvement by up to 50% over the strongest heuristic and 246% over the random selection in the most challenging scenarios. Our code is publicly available at https://github.com/ZJU-CTAG/B4.

  • 7 authors
·
Sep 13, 2024 2

Quick and Robust Feature Selection: the Strength of Energy-efficient Sparse Training for Autoencoders

Major complications arise from the recent increase in the amount of high-dimensional data, including high computational costs and memory requirements. Feature selection, which identifies the most relevant and informative attributes of a dataset, has been introduced as a solution to this problem. Most of the existing feature selection methods are computationally inefficient; inefficient algorithms lead to high energy consumption, which is not desirable for devices with limited computational and energy resources. In this paper, a novel and flexible method for unsupervised feature selection is proposed. This method, named QuickSelection, introduces the strength of the neuron in sparse neural networks as a criterion to measure the feature importance. This criterion, blended with sparsely connected denoising autoencoders trained with the sparse evolutionary training procedure, derives the importance of all input features simultaneously. We implement QuickSelection in a purely sparse manner as opposed to the typical approach of using a binary mask over connections to simulate sparsity. It results in a considerable speed increase and memory reduction. When tested on several benchmark datasets, including five low-dimensional and three high-dimensional datasets, the proposed method is able to achieve the best trade-off of classification and clustering accuracy, running time, and maximum memory usage, among widely used approaches for feature selection. Besides, our proposed method requires the least amount of energy among the state-of-the-art autoencoder-based feature selection methods.

  • 7 authors
·
Dec 1, 2020

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

Training Bayesian Neural Networks with Sparse Subspace Variational Inference

Bayesian neural networks (BNNs) offer uncertainty quantification but come with the downside of substantially increased training and inference costs. Sparse BNNs have been investigated for efficient inference, typically by either slowly introducing sparsity throughout the training or by post-training compression of dense BNNs. The dilemma of how to cut down massive training costs remains, particularly given the requirement to learn about the uncertainty. To solve this challenge, we introduce Sparse Subspace Variational Inference (SSVI), the first fully sparse BNN framework that maintains a consistently highly sparse Bayesian model throughout the training and inference phases. Starting from a randomly initialized low-dimensional sparse subspace, our approach alternately optimizes the sparse subspace basis selection and its associated parameters. While basis selection is characterized as a non-differentiable problem, we approximate the optimal solution with a removal-and-addition strategy, guided by novel criteria based on weight distribution statistics. Our extensive experiments show that SSVI sets new benchmarks in crafting sparse BNNs, achieving, for instance, a 10-20x compression in model size with under 3\% performance drop, and up to 20x FLOPs reduction during training compared with dense VI training. Remarkably, SSVI also demonstrates enhanced robustness to hyperparameters, reducing the need for intricate tuning in VI and occasionally even surpassing VI-trained dense BNNs on both accuracy and uncertainty metrics.

  • 4 authors
·
Feb 16, 2024

Benchmarking on Tasks That Matter: Dataset Selection for Preserving Model Rankings

Benchmarks of machine learning models often include many datasets, making evaluation expensive. For efficiency, it is preferable to perform evaluations on small, representative datasets instead. The selection of such subsets typically relies on heuristics and is rarely analyzed for the robustness of the resulting model rankings. We introduce a framework to perform the task of selecting datasets subsets with an evaluation of how different selection strategies preserve the global model rankings. Our framework includes bootstrap aggregation, which provides valid confidence intervals, allowing a principled comparison of selection strategies. We consider clustering, design criteria (A/D-optimality), random baselines, and greedy farthest-first (FAFI). For the latter, we derive upper bounds on selection quality in terms of ranking errors as a function of the number of selected datasets. Empirically, in time series classification (TSC, 112 datasets) and in a supplementary natural language processing benchmark derived from MTEB (57 tasks), several selection strategies improve rank preservation compared with random subsets, including simple FAFI. In contrast, in recommender systems (30 datasets), the improvement of strategies over random selection is small and typically statistically insignificant. For TSC, our best-performing strategy achieves a Spearman correlation of 0.95 with the full benchmark model rankings using only five selected datasets. Additional experiments indicate that the effectiveness of selection approaches depends on both the quality of dataset representations and the scale of the benchmarking regime.

  • 2 authors
·
Jun 25

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

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