Flow Matching has recently gained attention in generative modeling as a simple and flexible alternative to diffusion models. While existing statistical guarantees adapt tools from the analysis of diffusion models, we take a different perspective by connecting Flow Matching to kernel density estimation. We first verify that the kernel density estimator matches the optimal rate of convergence in Wasserstein distance up to logarithmic factors, improving existing bounds for the Gaussian kernel. Based on this result, we prove that for sufficiently large networks, Flow Matching achieves the optimal rate up to logarithmic factors. If the target distribution lies on a lower-dimensional manifold, we show that the kernel density estimator profits from the smaller intrinsic dimension on a small tube around the manifold. The faster rate also applies to Flow Matching, providing a theoretical foundation for its empirical success in high-dimensional settings.
Handling missing values is a common challenge in biostatistical analyses, typically addressed by imputation methods. We propose a novel, fast, and easy-to-use imputation method called missing value imputation with adversarial random forests (MissARF), based on generative machine learning, that provides both single and multiple imputation. MissARF employs adversarial random forest (ARF) for density estimation and data synthesis. To impute a missing value of an observation, we condition on the non-missing values and sample from the estimated conditional distribution generated by ARF. Our experiments demonstrate that MissARF performs comparably to state-of-the-art single and multiple imputation methods in terms of imputation quality and fast runtime with no additional costs for multiple imputation.
This paper addresses the fundamental computer vision challenge of robust circle detection and fitting in degraded imaging conditions. We present Combinatorial Convolution-based Circle Fitting for Blurry Images (3C-FBI), an algorithm that bridges the gap between circle detection and precise parametric fitting by combining (1) efficient combinatorial edge pixel (edgel) sampling and (2) convolution-based density estimation in parameter space. We evaluate 3C-FBI across three experimental frameworks: (1) real-world medical data from Parkinson's disease assessments (144 frames from 36 videos), (2) controlled synthetic data following established circle-fitting benchmarks, and (3) systematic analysis across varying spatial resolutions and outlier contamination levels. Results show that 3C-FBI achieves state-of-the-art accuracy (Jaccard index 0.896) while maintaining real-time performance (40.3 fps), significantly outperforming classical methods like RCD (6.8 fps) on a standard CPU (i7-10875H). It maintains near-perfect accuracy (Jaccard almost 1.0) at high resolutions (480x480) and reliable performance (Jaccard higher than 0.95) down to 160x160 with up to 20% outliers. In extensive synthetic testing, 3C-FBI achieves a mean Jaccard Index of 0.989 across contamination levels, comparable to modern methods like Qi et al. (2024, 0.991), and surpassing RHT (0.964). This combination of accuracy, speed, and robustness makes 3C-FBI ideal for medical imaging, robotics, and industrial inspection under challenging conditions.
Recent advances in large language models (LLMs) have spurred interests in encoding images as discrete tokens and leveraging autoregressive (AR) frameworks for visual generation. However, the quantization process in AR-based visual generation models inherently introduces information loss that degrades image fidelity. To mitigate this limitation, recent studies have explored to autoregressively predict continuous tokens. Unlike discrete tokens that reside in a structured and bounded space, continuous representations exist in an unbounded, high-dimensional space, making density estimation more challenging and increasing the risk of generating out-of-distribution artifacts. Based on the above findings, this work introduces DisCon (Discrete-Conditioned Continuous Autoregressive Model), a novel framework that reinterprets discrete tokens as conditional signals rather than generation targets. By modeling the conditional probability of continuous representations conditioned on discrete tokens, DisCon circumvents the optimization challenges of continuous token modeling while avoiding the information loss caused by quantization. DisCon achieves a gFID score of 1.38 on ImageNet 256$\times$256 generation, outperforming state-of-the-art autoregressive approaches by a clear margin.
This paper introduces a new type of probabilistic semiparametric model that takes advantage of data binning to reduce the computational cost of kernel density estimation in nonparametric distributions. Two new conditional probability distributions are developed for the new binned semiparametric Bayesian networks, the sparse binned kernel density estimation and the Fourier kernel density estimation. These two probability distributions address the curse of dimensionality, which typically impacts binned models, by using sparse tensors and restricting the number of parent nodes in conditional probability calculations. To evaluate the proposal, we perform a complexity analysis and conduct several comparative experiments using synthetic data and datasets from the UCI Machine Learning repository. The experiments include different binning rules, parent restrictions, grid sizes, and number of instances to get a holistic view of the model's behavior. As a result, our binned semiparametric Bayesian networks achieve structural learning and log-likelihood estimations with no statistically significant differences compared to the semiparametric Bayesian networks, but at a much higher speed. Thus, the new binned semiparametric Bayesian networks prove to be a reliable and more efficient alternative to their non-binned counterparts.
Explicit density learners are becoming an increasingly popular technique for generative models because of their ability to better model probability distributions. They have advantages over Generative Adversarial Networks due to their ability to perform density estimation and having exact latent-variable inference. This has many advantages, including: being able to simply interpolate, calculate sample likelihood, and analyze the probability distribution. The downside of these models is that they are often more difficult to train and have lower sampling quality. Normalizing flows are explicit density models, that use composable bijective functions to turn an intractable probability function into a tractable one. In this work, we present novel knowledge distillation techniques to increase sampling quality and density estimation of smaller student normalizing flows. We seek to study the capacity of knowledge distillation in Compositional Normalizing Flows to understand the benefits and weaknesses provided by these architectures. Normalizing flows have unique properties that allow for a non-traditional forms of knowledge transfer, where we can transfer that knowledge within intermediate layers. We find that through this distillation, we can make students significantly smaller while making substantial performance gains over a non-distilled student. With smaller models there is a proportionally increased throughput as this is dependent upon the number of bijectors, and thus parameters, in the network.
A suitable scalar metric can help measure multi-calibration, defined as follows. When the expected values of observed responses are equal to corresponding predicted probabilities, the probabilistic predictions are known as "perfectly calibrated." When the predicted probabilities are perfectly calibrated simultaneously across several subpopulations, the probabilistic predictions are known as "perfectly multi-calibrated." In practice, predicted probabilities are seldom perfectly multi-calibrated, so a statistic measuring the distance from perfect multi-calibration is informative. A recently proposed metric for calibration, based on the classical Kuiper statistic, is a natural basis for a new metric of multi-calibration and avoids well-known problems of metrics based on binning or kernel density estimation. The newly proposed metric weights the contributions of different subpopulations in proportion to their signal-to-noise ratios; data analyses' ablations demonstrate that the metric becomes noisy when omitting the signal-to-noise ratios from the metric. Numerical examples on benchmark data sets illustrate the new metric.
We suggest a new algorithm to estimate representations of compact Lie groups from finite samples of their orbits. Different from other reported techniques, our method allows the retrieval of the precise representation type as a direct sum of irreducible representations. Moreover, the knowledge of the representation type permits the reconstruction of its orbit, which is useful for identifying the Lie group that generates the action, from a finite list of candidates. Our algorithm is general for any compact Lie group, but only instantiations for SO(2), T^d, SU(2), and SO(3) are considered. Theoretical guarantees of robustness in terms of Hausdorff and Wasserstein distances are derived. Our tools are drawn from geometric measure theory, computational geometry, and optimization on matrix manifolds. The algorithm is tested for synthetic data up to dimension 32, as well as real-life applications in image analysis, harmonic analysis, density estimation, equivariant neural networks, chemical conformational spaces, and classical mechanics systems, achieving very accurate results.
Density map estimation has become the mainstream paradigm in crowd counting. However, most existing methods overlook the extreme sparsity of ground-truth density maps. In real-world crowd scenes, the vast majority of spatial regions (often over 95%) contain no people, leading to heavily imbalanced count distributions. Ignoring this imbalance can bias models toward overestimating dense regions and underperforming in sparse areas. Furthermore, most loss functions used in density estimation are majorly based on MSE and implicitly assume Gaussian distributions, which are ill-suited for modeling discrete, non-negative count data. In this paper, we propose EBC-ZIP, a crowd counting framework that models the spatial distribution of counts using a Zero-Inflated Poisson (ZIP) regression formulation. Our approach replaces the traditional regression loss with the negative log-likelihood of the ZIP distribution, enabling better handling of zero-heavy distributions while preserving count accuracy. Built upon the recently proposed Enhanced Block Classification (EBC) framework, EBC-ZIP inherits EBC's advantages in preserving the discreteness of targets and ensuring training stability, while further improving performance through a more principled probabilistic loss. We also evaluate EBC-ZIP with backbones of varying computational complexity to assess its scalability. Extensive experiments on four crowd counting benchmarks demonstrate that EBC-ZIP consistently outperforms EBC and achieves state-of-the-art results.
Unsupervised Reinforcement Learning (RL) aims to discover diverse behaviors that can accelerate the learning of downstream tasks. Previous methods typically focus on entropy-based exploration or empowerment-driven skill learning. However, entropy-based exploration struggles in large-scale state spaces (e.g., images), and empowerment-based methods with Mutual Information (MI) estimations have limitations in state exploration. To address these challenges, we propose a novel skill discovery objective that maximizes the deviation of the state density of one skill from the explored regions of other skills, encouraging inter-skill state diversity similar to the initial MI objective. For state-density estimation, we construct a novel conditional autoencoder with soft modularization for different skill policies in high-dimensional space. Meanwhile, to incentivize intra-skill exploration, we formulate an intrinsic reward based on the learned autoencoder that resembles count-based exploration in a compact latent space. Through extensive experiments in challenging state and image-based tasks, we find our method learns meaningful skills and achieves superior performance in various downstream tasks.
Today, Earth Observation (EO) satellites generate massive volumes of data, with the Copernicus Sentinel-2 constellation alone producing approximately 1.6TB per day. To fully exploit this information, it is essential to pretrain EO Foundation Models (FMs) on large unlabeled datasets, enabling efficient fine-tuning for several different downstream tasks with minimal labeled data. In this work, we present the scaling-up of our recently proposed EO Foundation Model, PhilEO Geo-Aware U-Net, on the unlabeled 23TB dataset MajorTOM, which covers the vast majority of the Earth's surface, as well as on the specialized subset FastTOM 2TB that does not include oceans and ice. We develop and study various PhilEO model variants with different numbers of parameters and architectures. Finally, we fine-tune the models on the PhilEO Bench for road density estimation, building density pixel-wise regression, and land cover semantic segmentation, and we evaluate the performance. Our results demonstrate that for all n-shots for road density regression, the PhilEO 44M MajorTOM 23TB model outperforms PhilEO Globe 0.5TB 44M. We also show that for most n-shots for road density estimation and building density regression, PhilEO 200M FastTOM outperforms all the other models. The effectiveness of both dataset and model scaling is validated using the PhilEO Bench. We also study the impact of architecture scaling, transitioning from U-Net Convolutional Neural Networks (CNN) to Vision Transformers (ViT).
Preference-based Reinforcement Learning (PbRL) methods provide a solution to avoid reward engineering by learning reward models based on human preferences. However, poor feedback- and sample- efficiency still remain the problems that hinder the application of PbRL. In this paper, we present a novel efficient query selection and preference-guided exploration method, called SENIOR, which could select the meaningful and easy-to-comparison behavior segment pairs to improve human feedback-efficiency and accelerate policy learning with the designed preference-guided intrinsic rewards. Our key idea is twofold: (1) We designed a Motion-Distinction-based Selection scheme (MDS). It selects segment pairs with apparent motion and different directions through kernel density estimation of states, which is more task-related and easy for human preference labeling; (2) We proposed a novel preference-guided exploration method (PGE). It encourages the exploration towards the states with high preference and low visits and continuously guides the agent achieving the valuable samples. The synergy between the two mechanisms could significantly accelerate the progress of reward and policy learning. Our experiments show that SENIOR outperforms other five existing methods in both human feedback-efficiency and policy convergence speed on six complex robot manipulation tasks from simulation and four real-worlds.
We present a generative learning framework for probabilistic sampling based on an extension of the Probabilistic Learning on Manifolds (PLoM) approach, which is designed to generate statistically consistent realizations of a random vector in a finite-dimensional Euclidean space, informed by a limited (yet representative) set of observations. In its original form, PLoM constructs a reduced-order probabilistic model by combining three main components: (a) kernel density estimation to approximate the underlying probability measure, (b) Diffusion Maps to uncover the intrinsic low-dimensional manifold structure, and (c) a reduced-order Ito Stochastic Differential Equation (ISDE) to sample from the learned distribution. A key challenge arises, however, when the number of available data points N is small and the dimensionality of the diffusion-map basis approaches N, resulting in overfitting and loss of generalization. To overcome this limitation, we propose an enabling extension that implements a synthesis of Double Diffusion Maps -- a technique capable of capturing multiscale geometric features of the data -- with Geometric Harmonics (GH), a nonparametric reconstruction method that allows smooth nonlinear interpolation in high-dimensional ambient spaces. This approach enables us to solve a full-order ISDE directly in the latent space, preserving the full dynamical complexity of the system, while leveraging its reduced geometric representation. The effectiveness and robustness of the proposed method are illustrated through two numerical studies: one based on data generated from two-dimensional Hermite polynomial functions and another based on high-fidelity simulations of a detonation wave in a reactive flow.
We study the problem of estimating eigenpairs of elliptic differential operators from samples of a distribution $\rho$ supported on a manifold $M$. The operators discussed in the paper are relevant in unsupervised learning and in particular are obtained by taking suitable scaling limits of widely used graph Laplacians over data clouds. We study the minimax risk for this eigenpair estimation problem and explore the rates of approximation that can be achieved by commonly used graph Laplacians built from random data. More concretely, assuming that $\rho$ belongs to a certain family of distributions with controlled second derivatives, and assuming that the $d$-dimensional manifold $M$ where $\rho$ is supported has bounded geometry, we prove that the statistical minimax rate for approximating eigenvalues and eigenvectors in the $H^1(M)$-sense is $n^{-2/(d+4)}$, a rate that matches the minimax rate for a closely related density estimation problem. We then revisit the literature studying Laplacians over proximity graphs in the large data limit and prove that, under slightly stronger regularity assumptions on the data generating model, eigenpairs of graph Laplacians induce manifold agnostic estimators with an error of approximation that, up to logarithmic corrections, matches our lower bounds. Our analysis allows us to expand the existing literature on graph-based learning in at least two significant ways: 1) we consider stronger norms to measure the error of approximation than the ones that had been analyzed in the past; 2) our rates of convergence are uniform over a family of smooth distributions and do not just apply to densities with special symmetries, and, as a consequence of our lower bounds, are essentially sharp when the connectivity of the graph is sufficiently high.
We propose a novel energy function for Dense Associative Memory (DenseAM) networks, the log-sum-ReLU (LSR), inspired by optimal kernel density estimation. Unlike the common log-sum-exponential (LSE) function, LSR is based on the Epanechnikov kernel and enables exact memory retrieval with exponential capacity without requiring exponential separation functions. Moreover, it introduces abundant additional \emph{emergent} local minima while preserving perfect pattern recovery -- a characteristic previously unseen in DenseAM literature. Empirical results show that LSR energy has significantly more local minima (memories) that have comparable log-likelihood to LSE-based models. Analysis of LSR's emergent memories on image datasets reveals a degree of creativity and novelty, hinting at this method's potential for both large-scale memory storage and generative tasks.
Recent advances in generative modeling -- particularly diffusion models and flow matching -- have achieved remarkable success in synthesizing discrete data such as images and videos. However, adapting these models to physical applications remains challenging, as the quantities of interest are continuous functions governed by complex physical laws. Here, we introduce $\textbf{FunDiff}$, a novel framework for generative modeling in function spaces. FunDiff combines a latent diffusion process with a function autoencoder architecture to handle input functions with varying discretizations, generate continuous functions evaluable at arbitrary locations, and seamlessly incorporate physical priors. These priors are enforced through architectural constraints or physics-informed loss functions, ensuring that generated samples satisfy fundamental physical laws. We theoretically establish minimax optimality guarantees for density estimation in function spaces, showing that diffusion-based estimators achieve optimal convergence rates under suitable regularity conditions. We demonstrate the practical effectiveness of FunDiff across diverse applications in fluid dynamics and solid mechanics. Empirical results show that our method generates physically consistent samples with high fidelity to the target distribution and exhibits robustness to noisy and low-resolution data. Code and datasets are publicly available at https://github.com/sifanexisted/fundiff.
Vector Quantization (VQ) is a widely used technique in machine learning and data compression, valued for its simplicity and interpretability. Among hard VQ methods, $k$-medoids clustering and Kernel Density Estimation (KDE) approaches represent two prominent yet seemingly unrelated paradigms -- one distance-based, the other rooted in probability density matching. In this paper, we investigate their connection through the lens of Quadratic Unconstrained Binary Optimization (QUBO). We compare a heuristic QUBO formulation for $k$-medoids, which balances centrality and diversity, with a principled QUBO derived from minimizing Maximum Mean Discrepancy in KDE-based VQ. Surprisingly, we show that the KDE-QUBO is a special case of the $k$-medoids-QUBO under mild assumptions on the kernel's feature map. This reveals a deeper structural relationship between these two approaches and provides new insight into the geometric interpretation of the weighting parameters used in QUBO formulations for VQ.
Energy-based models (EBMs) estimate unnormalized densities in an elegant framework, but they are generally difficult to train. Recent work has linked EBMs to generative adversarial networks, by noting that they can be trained through a minimax game using a variational lower bound. To avoid the instabilities caused by minimizing a lower bound, we propose to instead work with bidirectional bounds, meaning that we maximize a lower bound and minimize an upper bound when training the EBM. We investigate four different bounds on the log-likelihood derived from different perspectives. We derive lower bounds based on the singular values of the generator Jacobian and on mutual information. To upper bound the negative log-likelihood, we consider a gradient penalty-like bound, as well as one based on diffusion processes. In all cases, we provide algorithms for evaluating the bounds. We compare the different bounds to investigate, the pros and cons of the different approaches. Finally, we demonstrate that the use of bidirectional bounds stabilizes EBM training and yields high-quality density estimation and sample generation.
We formulate an optimization problem to estimate probability densities in the context of multidimensional problems that are sampled with uneven probability. It considers detector sensitivity as an heterogeneous density and takes advantage of the computational speed and flexible boundary conditions offered by splines on a grid. We choose to regularize the Hessian of the spline via the nuclear norm to promote sparsity. As a result, the method is spatially adaptive and stable against the choice of the regularization parameter, which plays the role of the bandwidth. We test our computational pipeline on standard densities and provide software. We also present a new approach to PET rebinning as an application of our framework.
Data-driven discovery of dynamics in biological systems allows for better observation and characterization of processes, such as calcium signaling in cell culture. Recent advancements in techniques allow the exploration of previously unattainable insights of dynamical systems, such as the Sparse Identification of Non-Linear Dynamics (SINDy), overcoming the limitations of more classic methodologies. The latter requires some prior knowledge of an effective library of candidate terms, which is not realistic for a real case study. Using inspiration from fields like traffic density estimation and control theory, we propose a methodology for characterization and performance analysis of calcium delivery in a family of cells. In this work, we compare the performance of the Constrained Regularized Least-Squares Method (CRLSM) and Physics-Informed Neural Networks (PINN) for system identification and parameter discovery for governing ordinary differential equations (ODEs). The CRLSM achieves a fairly good parameter estimate and a good data fit when using the learned parameters in the Consensus problem. On the other hand, despite the initial hypothesis, PINNs fail to match the CRLSM performance and, under the current configuration, do not provide fair parameter estimation. However, we have only studied a limited number of PINN architectures, and it is expected that additional hyperparameter tuning, as well as uncertainty quantification, could significantly improve the performance in future works.