Approximation

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Latest in Approximation

May 4, 2026cs.AI

Universal Smoothness via Bernstein Polynomials: A Constructive Approximation Approach for Activation Functions

The efficacy of deep neural networks is heavily reliant on the design of non-linear activation functions, yet existing approaches often struggle to balance optimization stability with computational efficiency. While piecewise linear functions offer inference speed, they suffer from optimization instability due to non-differentiability at the origin, whereas smooth counterparts typically incur significant computational overhead through their reliance on transcendental operations. To address these limitations, this paper proposes a general smoothing framework based on constructive approximation theory and introduces the Bernstein Linear Unit (BerLU). This novel activation function utilizes Bernstein polynomials to construct a differentiable quadratic transition region that effectively eliminates singularities while maintaining a piecewise linear structure. Theoretical analysis demonstrates that the proposed method guarantees strictly continuous differentiability and a non-expansive Lipschitz constant of one, which ensures stable gradient propagation and prevents the gradient explosion problems common in deep architectures. Comprehensive empirical evaluations across representative Vision Transformer and Convolutional Neural Network architectures confirm that this approach consistently outperforms state-of-the-art baselines on standard image classification benchmarks while delivering superior computational and memory efficiency.
Wentao Zhang, Yutong Zhang, Yifan Zhu +1
Apr 29, 2026stat.ML

Laplace Approximation for Bayesian Tensor Network Kernel Machines

Uncertainty estimation is essential for robust decision-making in the presence of ambiguous or out-of-distribution inputs. Gaussian Processes (GPs) are classical kernel-based models that offer principled uncertainty quantification and perform well on small- to medium-scale datasets. Alternatively, formulating the weight space learning problem under tensor network assumptions yields scalable tensor network kernel machines. However, these assumptions break Gaussianity, complicating standard probabilistic inference. This raises a fundamental question: how can tensor network kernel machines provide principled uncertainty estimates? We propose a novel Bayesian Tensor Network Kernel Machine (LA-TNKM) that employs a (linearized) Laplace approximation for Bayesian inference. A comprehensive set of numerical experiments shows that the proposed method consistently matches or surpasses Gaussian Processes and Bayesian Neural Networks (BNNs) across diverse UCI regression benchmarks, highlighting both its effectiveness and practical relevance.
Albert Saiapin, Kim Batselier
Apr 27, 2026cs.LG

Transformer Approximations from ReLUs

We provide a systematic recipe for translating ReLU approximation results to softmax attention mechanism. This recipe covers many common approximation targets. Importantly, it yields target-specific, economic resource bounds beyond universal approximation statements. We showcase the recipe on multiplication, reciprocal computation, and min/max primitives. These results provide new analytical tools for analyzing softmax transformer models.
Jerry Yao-Chieh Hu, Mingcheng Lu, Yi-Chen Lee +1
Apr 27, 2026cs.LG

Progressive Approximation in Deep Residual Networks: Theory and Validation

The Universal Approximation Theorem (UAT) guarantees universal function approximation but does not explain how residual models distribute approximation across layers. We reframe residual networks as a layer-wise approximation process that builds an approximation trajectory from input to target, and prove the existence of progressive trajectories where error decreases monotonically with depth. It reveals that residual networks can implement structured, step-by-step refinement rather than end-to-end (E2E) black-box mapping. Building on this, we propose Layer-wise Progressive Approximation (LPA), a theoretically grounded training principle that explicitly aligns each layer with its residual target to realize such trajectories. LPA is architecture-agnostic: we observe progressive behavior in residual FNNs, ResNets, and Transformers across tasks including complex surface fitting, image classification, and NLP with LLMs for generation and classification. Crucially, this enables ``train once, use NN models": a single network yields useful predictions at every depth, supporting efficient shallow inference without retraining. Our work unifies approximation theory with practical deep learning, providing a new lens on representation learning and a flexible framework for multi-depth deployment. The source code will be released unpon acceptance at https://(open_upon_acceptance).
Wei Wang, Xiao-Yong Wei, Qing Li
Apr 27, 2026cs.LG

Query-Efficient Quantum Approximate Optimization via Graph-Conditioned Trust Regions

In low-depth implementations of the Quantum Approximate Optimization Algorithm (QAOA), the dominant cost is often the number of objective evaluations rather than circuit depth. We introduce a graph-conditioned trust-region method for reducing this query cost. A graph neural network predicts a Gaussian distribution N(mu, Sigma) over QAOA angles. The mean initializes a local optimizer, the covariance defines an ellipsoidal trust region that constrains the search, and the predicted uncertainty determines an instance-dependent evaluation budget. Thus the learned distribution defines a search policy rather than only an initial parameter estimate. Under explicit assumptions on local smoothness, curvature, calibration, and noise, we derive bounds on objective degradation within the trust region, lower bounds on gradient variance, preservation of expected objective ordering under depolarizing noise, and finite-sample coverage guarantees. We evaluate the method for MaxCut at depth p = 2 on Erdos-Renyi, 3-regular, Barabasi-Albert, and Watts-Strogatz graphs with n = 8-16 vertices. Relative to random restarts and the strongest learned point-prediction baseline, the method reduces the mean number of circuit evaluations from 343 and 85 to 45 +/- 7, while maintaining sampled approximation ratios within 3 percentage points of concentration-based heuristics. The method does not improve absolute approximation ratios; its advantage is reduced query cost at comparable solution quality. The predictive uncertainty is calibrated in the experiments, with ECE = 0.052 and Spearman correlation rho = 0.770, and the learned trust regions transfer to graph sizes not used during training. The results identify a low-depth, query-dominated regime in which graph-conditioned trust regions reduce the query cost of QAOA without modifying the ansatz.
Molena Huynh
Apr 26, 2026cs.LG

Necessary and sufficient conditions for universality of Kolmogorov-Arnold networks

We analyze the universal approximation property of Kolmogorov-Arnold Networks (KANs) in terms of their edge functions. If these functions are all affine, then universality clearly fails. How many non-affine functions are needed, in addition to affine ones, to ensure universality? We show that a single one suffices. More precisely, we prove that deep KANs in which all edge functions are either affine or equal to a fixed continuous function σσ are dense in C(K)C(K) for every compact set KRnK\subset\mathbb{R}^n if and only if σσ is non-affine. In contrast, for KANs with exactly two hidden layers, universality holds if and only if σσ is nonpolynomial. We further show that the full class of affine functions is not required; it can be replaced by a finite set without affecting universality. In particular, in the nonpolynomial case, a fixed family of five affine functions suffices when the depth is arbitrary. More generally, for every continuous non-affine function σσ, there exists a finite affine family AσA_σ such that deep KANs with edge functions in Aσ{σ}A_σ\cup\{σ\} remain universal. We also prove that KANs with the spline-based edge parameterization introduced by Liu et al.~\cite{Liu2024} are universal approximators in the classical sense, even when the spline degree and knot sequence are fixed in advance.
Vugar Ismailov
Apr 24, 2026cs.LG

Fast Neural-Network Approximation of Active Target Search Under Uncertainty

We address the problem of searching for an unknown number of stationary targets at unknown positions with a mobile agent. A probability hypothesis density filter is used to estimate the expected number of targets under measurement uncertainty. Existing planners, such as Active Search (AS) and its Intermittent variant (ASI), achieve accurate detection but require costly online optimization. To reduce online computation, we propose to use a convolutional neural network to approximate AS or ASI decisions through direct inference. The network is trained on AS/ASI data using a multi-channel grid that encodes target beliefs, the agent position, visitation history, and boundary information. Simulations with uniform and clustered target distributions show that the network achieves detection rates comparable to AS or ASI while reducing computation by orders of magnitude.
Bilal Yousuf, Zsofia Lendek, Lucian Busoniu
Apr 23, 2026cs.LG

An effective variant of the Hartigan kk-means algorithm

The k-means problem is perhaps the classical clustering problem and often synonymous with Lloyd's algorithm (1957). It has become clear that Hartigan's algorithm (1975) gives better results in almost all cases, Telgarsky-Vattani note a typical improvement of 5%5\% -- 10%10\%. We point out that a very minor variation of Hartigan's method leads to another 2%2\% -- 5%5\% improvement; the improvement tends to become larger when either dimension or kk increase.
François Clément, Stefan Steinerberger
Apr 23, 2026cs.RO

SLAM as a Stochastic Control Problem with Partial Information: Optimal Solutions and Rigorous Approximations

Simultaneous localization and mapping (SLAM) is a foundational state estimation problem in robotics in which a robot accurately constructs a map of its environment while also localizing itself within this construction. We study the active SLAM problem through the lens of optimal stochastic control, thereby recasting it as a decision-making problem under partial information. After reviewing several commonly studied models, we present a general stochastic control formulation of active SLAM together with a rigorous treatment of motion, sensing, and map representation. We introduce a new exploration stage cost that encodes the geometry of the state when evaluating information-gathering actions. This formulation, constructed as a nonstandard partially observable Markov decision process (POMDP), is then analyzed to derive rigorously justified approximate solutions that are near-optimal. To enable this analysis, the associated regularity conditions are studied under general assumptions that apply to a wide range of robotics applications. For a particular case, we conduct an extensive numerical study in which standard learning algorithms are used to learn near-optimal policies.
Ilir Gusija, Fady Alajaji, Serdar Yüksel
Apr 23, 2026cs.CV

Deep kernel video approximation for unsupervised action segmentation

This work focuses on per-video unsupervised action segmentation, which is of interest to applications where storing large datasets is either not possible, or nor permitted. We propose to segment videos by learning in deep kernel space, to approximate the underlying frame distribution, as closely as possible. To define this closeness metric between the original video distribution and its approximation, we rely on maximum mean discrepancy (MMD) which is a geometry-preserving metric in distribution space, and thus gives more reliable estimates. Moreover, unlike the commonly used optimal transport metric, MMD is both easier to optimize, and faster. We choose to use neural tangent kernels (NTKs) to define the kernel space where MMD operates, because of their improved descriptive power as opposed to fixed kernels. And, also, because NTKs sidestep the trivial solution, when jointly learning the inputs (video approximation) and the kernel function. Finally, we show competitive results when compared to state-of-the-art per-video methods, on six standard benchmarks. Additionally, our method has higher F1 scores than prior agglomerative work, when the number of segments is unknown.
Silvia L. Pintea, Jouke Dijkstra
Apr 22, 2026cs.LG

Layer-wise Geometric Approximation Rates for Deep Networks

Depth is widely viewed as a central contributor to the success of deep neural networks, whereas standard neural network approximation theory typically provides guarantees only for the final output and leaves the role of intermediate layers largely unclear. We address this gap by developing a quantitative framework in which depth admits a precise scale-dependent interpretation. Specifically, we design a single shared mixed-activation architecture of fixed width 2dN+d+22dN+d+2 and any prescribed finite depth such that each intermediate readout ΦΦ_\ell is itself an approximant to the target function ff. For fLp([0,1]d)f\in L^p([0,1]^d) with p[1,)p\in [1,\infty), the approximation error of ΦΦ_\ell is controlled by (2d+1)(2d+1) times the LpL^p modulus of continuity at the geometric scale NN^{-\ell} for all \ell. The estimate reduces to the geometric rate (2d+1)N(2d+1)N^{-\ell} if ff is 11-Lipschitz. Our network design is inspired by multigrade deep learning, where depth serves as a progressive refinement mechanism. For every prescribed terminal depth, the construction yields a finite nested family of prefix readouts whose earlier correction terms remain embedded in later readouts. Thus the approximation may be truncated within the prescribed depth range once the desired certified accuracy is reached.
Shijun Zhang, Zuowei Shen, Yuesheng Xu
Apr 21, 2026cs.LG

Debiased neural operators for estimating functionals

Neural operators are widely used to approximate solution maps of complex physical systems. In many applications, however, the goal is not to recover the full solution trajectory, but to summarize the solution trajectory via a scalar target quantity (e.g., a functional such as time spent in a target range, time above a threshold, accumulated cost, or total energy). In this paper, we introduce DOPE (debiased neural operator): a semiparametric estimator for such target quantities of solution trajectories obtained from neural operators. DOPE is broadly applicable to settings with both partial and irregular observations and can be combined with arbitrary neural operator architectures. We make three main contributions. (1) We show that, in contrast to DOPE, naive plug-in estimation can suffer from first-order bias. (2) To address this, we derive a novel one-step, Neyman-orthogonal estimator that treats the neural operator as a high-dimensional nuisance mapping between function spaces, and removes the leading bias term. For this, DOPE uses a weighting mechanism that simultaneously accounts for irregular observation designs and for how sensitive the target quantity is to perturbations of the underlying trajectory. (3) To learn the weights, we extend automatic debiased machine learning to operator-valued nuisances via Riesz regression. We demonstrate the benefits of DOPE across various numerical experiments.
Konstantin Hess, Dennis Frauen, Niki Kilbertus +1
Apr 20, 2026cs.LG

Neural Shape Operator Surrogates -- Expression Rate Bounds

We prove error bounds for operator surrogates of solution operators for partial differential and boundary integral equations on families of domains which are diffeomorphic to one common reference (or latent) domain DrefD_{ref}. The pullback of the PDE to DrefD_{ref} via affine-parametric shape encoding produces a collection of holomorphic parametric PDEs on DrefD_{ref}. Sufficient conditions for (uniformly with respect to the parameter) well-posedness are given, implying existence, uniqueness and stability of parametric solution families on DrefD_{ref}. We illustrate the abstract hypotheses by reviewing recent holomorphy results for a suite of elliptic and parabolic PDEs. Quantified parametric holomorphy implies existence of finite-parametric, discrete approximations of the parametric solution families with convergence rates in terms of the number NN of parameters. We obtain constructive proofs of existence of Neural and Spectral Operator surrogates for the shape-to-solution maps with error bounds and convergence rate guarantees uniform on the collection of admissible shapes. We admit principal-component shape encoders and frame decoders. Our results support in particular the (empirically reported) ability of neural operators to realize data-to-solution maps for elliptic and parabolic PDEs and BIEs that generalize across parametric families of shapes.
Helmut Harbrecht, Christoph Schwab
Apr 17, 2026cs.DS

Constant-Factor Approximations for Doubly Constrained Fair k-Center, k-Median and k-Means

We study discrete k-clustering problems in general metric spaces that are constrained by a combination of two different fairness conditions within the demographic fairness model. Given a metric space (P,d), where every point in P is equipped with a protected attribute, and a number k, the goal is to partition P into k clusters with a designated center each, such that a center-based objective function is minimized and the attributes are fairly distributed with respect to the following two fairness concepts: 1) group fairness: We aim for clusters with balanced numbers of attributes by specifying lower and upper bounds for the desired attribute proportions. 2) diverse center selection: Clusters have natural representatives, i.e., their centers. We ask for a balanced set of representatives by specifying the desired number of centers to choose from each attribute. Dickerson, Esmaeili, Morgenstern and Zhang (2023) denote the combination of these two constraints as doubly constrained fair clustering. They present algorithms whose guarantees depend on the best known approximation factors for either of these problems. Currently, this implies an 8-approximation with a small additive violation on the group fairness constraint. For k-center, we improve this approximation factor to 4 with a small additive violation. This guarantee also depends on the currently best algorithm for DS-fair k-center given by Jones, Nguyen and Nguyen (2020). For k-median and k-means, we propose the first constant-factor approximation algorithms. Our algorithms transform a solution that satisfies diverse center selection into a doubly constrained fair clustering using an LP-based approach. Furthermore, our results are generalizable to other center-selection constraints, such as matroid k-clustering and knapsack constraints.
Nicole Funk, Annika Hennes, Johanna Hillebrand +1
Apr 9, 2026cs.LG

Approximation of the Basset force in the Maxey-Riley-Gatignol equations via universal differential equations

The Maxey-Riley-Gatignol equations (MaRGE) model the motion of spherical inertial particles in a fluid. They contain the Basset force, an integral term which models history effects due to the formation of wakes and boundary layer effects. This causes the force that acts on a particle to depend on its past trajectory and complicates the numerical solution of MaRGE. Therefore, the Basset force is often neglected, despite substantial evidence that it has both quantitative and qualitative impact on the movement patterns of modelled particles. Using the concept of universal differential equations, we propose an approximation of the history term via neural networks which approximates MaRGE by a system of ordinary differential equations that can be solved with standard numerical solvers like Runge-Kutta methods.
Finn Sommer, Vamika Rathi, Sebastian Goetschel +1
Mar 19, 2026cs.CG

Unlabeled Multi-Robot Motion Planning with Improved Separation Trade-offs

We study unlabeled MRMP for unit-disk robots in a polygonal environment. Although the problem is hard in general, polynomial-time solutions exist under appropriate separation assumptions on start and target positions. Banyassady et al.(SoCG'22) guarantee feasibility in simple polygons under start--start and target--target distances of at least 44, and start--target distances of at least 33, but without optimality guarantees. Solovey et al.(RSS'15) provide a near-optimal solution in general polygonal domains, under stricter conditions: start/target positions must have pairwise distance at least 44, and at least 52.236\sqrt{5}\approx2.236 from obstacles. This raises the question of whether polynomial-time algorithms can be obtained in even more densely packed environments. In this paper we present a generalized algorithm that achieve different tradeoffs on the robots-separation ρρ and obstacles-separation ωω, all significantly improving upon the state of the art. Specifically, we obtain polynomial-time constant-approximation algorithms to minimize the total path length when (i) ρ=223ρ=2\frac{2}{3} and ω=123ω=1\frac{2}{3}, or (ii) ρ3.291ρ\approx3.291 and ω1.354ω\approx1.354. These solutions are weakly-monotone; we also provide a monotone solution requiring ω=1.614ω=\approx1.614 and ρ=4ρ=4. We prove that monotone plans may not exist when ω<1.614ω<1.614, and weakly-monotone plans may not exist when ω<1.354ω<1.354. We then present tradeoffs between the separation bounds and the approximation factor, specifically achieving an (almost) optimal bound of ρ=2ρ=2 at the cost of a linear approximation factor and requiring ω=2ω=2. This applies also for the labeled variant of MRMP, in which case we show a tight bound on ωω. Finally, we show that without any robots-separation assumption, obstacles-separation of at least 1.51.5 may be necessary for a solution to exist.
Tsuri Farhana, Omrit Filtser, Shalev Goldshtein
Mar 19, 2026cs.RO

Can LLMs Prove Robotic Path Planning Optimality? A Benchmark for Research-Level Algorithm Verification

Robotic path planning problems are often NP-hard, and practical solutions typically rely on approximation algorithms with provable performance guarantees for general cases. While designing such algorithms is challenging, formally proving their approximation optimality is even more demanding, which requires domain-specific geometric insights and multi-step mathematical reasoning over complex operational constraints. Recent Large Language Models (LLMs) have demonstrated strong performance on mathematical reasoning benchmarks, yet their ability to assist with research-level optimality proofs in robotic path planning remains under-explored. In this work, we introduce the first benchmark for evaluating LLMs on approximation-ratio proofs of robotic path planning algorithms. The benchmark consists of 34 research-grade proof tasks spanning diverse planning problem types and complexity levels, each requiring structured reasoning over algorithm descriptions, problem constraints, and theoretical guarantees. Our evaluation of state-of-the-art proprietary and open-source LLMs reveals that even the strongest models struggle to produce fully valid proofs without external domain knowledge. However, providing LLMs with task-specific in-context lemmas substantially improves reasoning quality, a factor that is more effective than generic chain-of-thought prompting or supplying the ground-truth approximation ratio as posterior knowledge. We further provide fine-grained error analysis to characterize common logical failures and hallucinations, and demonstrate how each error type can be mitigated through targeted context augmentation.
Zhengbang Yang, Md. Tasin Tazwar, Minghan Wei +1
Mar 19, 2026cs.LG

Rigorous Error Certification for Neural PDE Solvers: From Empirical Residuals to Solution Guarantees

Uncertainty quantification for partial differential equations is traditionally grounded in discretization theory, where solution error is controlled via mesh/grid refinement. Physics-informed neural networks fundamentally depart from this paradigm: they approximate solutions by minimizing residual losses at collocation points, introducing new sources of error arising from optimization, sampling, representation, and overfitting. As a result, the generalization error in the solution space remains an open problem. Our main theoretical contribution establishes generalization bounds that connect residual control to solution-space error. We prove that when neural approximations lie in a compact subset of the solution space, vanishing residual error guarantees convergence to the true solution. We derive deterministic and probabilistic convergence results and provide certified generalization bounds translating residual, boundary, and initial errors into explicit solution error guarantees.
Amartya Mukherjee, Maxwell Fitzsimmons, David C. Del Rey Fernández +1
Mar 13, 2026cs.NE

Equivalence of approximation by networks of single- and multi-spike neurons

In a spiking neural network, is it enough for each neuron to spike at most once? In recent work, approximation bounds for spiking neural networks have been derived, quantifying how well they can fit target functions. However, these results are only valid for neurons that spike at most once, which is commonly thought to be a strong limitation. Here, we show that the opposite is true for a large class of spiking neuron models, including the commonly used leaky integrate-and-fire model with subtractive reset: for every approximation bound that is valid for a set of multi-spike neural networks, there is an equivalent set of single-spike neural networks with only linearly more (or less) neurons, in the maximum number of spikes, for which the bound holds. The same is true for the reverse direction too, showing that regarding their approximation capabilities in general machine learning tasks, single-spike and multi-spike neural networks are equivalent. Consequently, many approximation results in the literature for single-spike neural networks also hold for the multi-spike case.
Dominik Dold, Philipp Christian Petersen
Feb 26, 2026cs.LG

Multi-agent imitation learning with function approximation: Linear Markov games and beyond

In this work, we present the first theoretical analysis of multi-agent imitation learning (MAIL) in linear Markov games where both the transition dynamics and each agent's reward function are linear in some given features. We demonstrate that by leveraging this structure, it is possible to replace the state-action level "all policy deviation concentrability coefficient" (Freihaut et al., arXiv:2510.09325) with a concentrability coefficient defined at the feature level which can be much smaller than the state-action analog when the features are informative about states' similarity. Furthermore, to circumvent the need for any concentrability coefficient, we turn to the interactive setting. We provide the first, computationally efficient, interactive MAIL algorithm for linear Markov games and show that its sample complexity depends only on the dimension of the feature map dd. Building on these theoretical findings, we propose a deep MAIL interactive algorithm which clearly outperforms BC on games such as Tic-Tac-Toe and Connect4.
Luca Viano, Till Freihaut, Emanuele Nevali +3
Feb 13, 2026cs.LG

Learning functional components of PDEs from data using neural networks

Partial differential equation (PDE) models frequently contain unknown functional terms that cannot be measured directly, limiting their predictive utility. While data-driven methods for estimating scalar PDE parameters are well established, the recovery of unknown functions remains comparatively underexplored. Here, we show that standard parameter estimation workflows can be extended to infer functional components of PDEs directly from data. Our approach embeds neural networks within the PDE framework, allowing unknown functions to be learned during training with high accuracy. Using nonlocal aggregation-diffusion equations as a case study, we infer interaction kernels and external potentials from steady-state observations. We systematically examine how reconstruction accuracy depends on factors such as the number and diversity of available solutions, sampling density, and measurement noise. The resulting framework retains the advantages of conventional PDE calibration approaches while extending them to functional inference: once trained, the PDE model can be used in the standard way to analyse system behaviour and generate predictions.
Torkel E. Loman, Yurij Salmaniw, Antonio Leon Villares +2
Feb 13, 2026cs.LG

Learning to Approximate Uniform Facility Location via Graph Neural Networks

Neural networks, particularly message-passing neural networks (MPNNs), are increasingly used as heuristics for hard combinatorial optimization problems. Yet many learning-based methods rely on supervision, reinforcement learning, or gradient estimators, causing high computational cost, unstable training, or limited guarantees. Classical approximation algorithms provide worst-case guarantees but are non-differentiable and cannot adapt to structure in natural input distributions. We study this tradeoff through Uniform Facility Location (UniFL), a problem with applications in clustering, summarization, logistics, and supply chains. We propose a fully differentiable MPNN that incorporates approximation-algorithmic principles without solver supervision or discrete relaxations. The model has provable approximation guarantees and empirically improves on standard approximation algorithms, narrowing the gap to integer linear programming.
Chendi Qian, Christopher Morris, Stefanie Jegelka +1
Feb 12, 2026cs.LG

Rational Neural Networks have Expressivity Advantages

We study neural networks with trainable low-degree rational activation functions and show that they are more expressive and parameter-efficient than modern piecewise-linear and smooth activations such as ELU, LeakyReLU, LogSigmoid, PReLU, ReLU, SELU, CELU, Sigmoid, SiLU, Mish, Softplus, Tanh, Softmin, Softmax, and LogSoftmax. For an error target of ε>0\varepsilon>0, we establish approximation-theoretic separations: Any network built from standard fixed activations can be uniformly approximated on compact domains by a rational-activation network with only poly(loglog(1/ε))\mathrm{poly}(\log\log(1/\varepsilon)) overhead in size, while the converse provably requires Ω(log(1/ε))Ω(\log(1/\varepsilon)) parameters in the worst case. This exponential gap persists at the level of full networks and extends to gated activations and transformer-style nonlinearities. In practice, rational activations integrate seamlessly into standard architectures and training pipelines, allowing rationals to match or outperform fixed activations under identical architectures and optimizers.
Maosen Tang, Alex Townsend
Feb 5, 2026cs.LG

Clifford Kolmogorov-Arnold Networks

We introduce Clifford Kolmogorov-Arnold Network (ClKAN), a flexible and efficient architecture for function approximation in arbitrary Clifford Algebra spaces. We propose the use of Randomized Quasi-Monte Carlo grid generation as a solution to the exponential scaling associated with higher-dimensional algebras. Our ClKAN also introduces new batch normalization strategies to deal with variable domain input. ClKAN finds application in scientific discovery and engineering, and is validated in synthetic and physics-inspired tasks.
Matthias Wolff, Francesco Alesiani, Christof Duhme +1
Jan 19, 2026stat.ML

Approximate full conformal prediction in an RKHS

Full conformal prediction is a framework that implicitly formulates distribution-free confidence prediction regions for a wide range of estimators. However, a classical limitation of the full conformal framework is the computation of the confidence prediction regions, which is usually impossible since it requires training infinitely many estimators (for real-valued prediction for instance). The main purpose of the present work is to describe a generic strategy for designing a tight approximation to the full conformal prediction region that can be efficiently computed. Along with this approximate confidence region, a theoretical quantification of the tightness of this approximation is developed, depending on the smoothness assumptions on the loss and score functions. The new notion of thickness is introduced for quantifying the discrepancy between the approximate confidence region and the full conformal one.
Davidson Lova Razafindrakoto, Alain Celisse, Jérôme Lacaille
Jan 12, 2026stat.ML

Neural Architectures for Amortized Bayesian Inference: Statistical Foundations and Empirical Assessments

Since the turn of the century, approximate Bayesian inference has steadily evolved as new computational techniques have been incorporated to handle increasingly complex, large-scale predictive problems. The recent success of deep neural networks and foundation models has now given rise to a new paradigm in statistical modeling, in which Bayesian inference can be amortized through large-scale learned predictors. In amortized inference, substantial computation is required at the beginning to train a neural network, but it can subsequently produce approximate posteriors or predictions at much lower computational cost across a wide range of tasks. While the typical Bayesian inference procedures are computationally expensive due to repeated likelihood calculations and Monte Carlo steps for each new dataset, amortized inference provides a much lower computational cost at deployment. Despite the growing popularity of amortized inference, its statistical interpretation and position within Bayesian inference remain poorly explored. In this paper, we present a statistical perspective on several major neural architectures, including feedforward networks, Deep Sets, and Transformers, and examine how they naturally support amortized Bayesian inference. We explore how these models perform structured approximation and also probabilistic reasoning in ways that yield controlled generalization error throughout a wide range of deployment scenarios, and how these properties can be harnessed for Bayesian computation. Via simulation studies, we evaluate the accuracy, robustness, and uncertainty quantification of amortized inference across varying sample sizes, varying noise distributional families, varying sparsity levels, and multimodality, highlighting its strengths and limitations.
Roy Shivam Ram Shreshtth, Arnab Hazra, Gourab Mukherjee
Jan 4, 2026cs.CG

Exact and Approximate Range Queries in Ball Mapper

Ball Mapper summarizes a finite metric dataset by covering the sample with closed balls centered at selected landmarks and connecting landmarks whose balls share observations. Its construction therefore depends critically on repeated fixed radius range queries, yet the effect of replacing exact queries by approximate search has not been systematically characterized. We formulate Ball Mapper through an abstract range query procedure that separates the mathematical construction from the search backend used to realize it. Under fixed ordering, exact procedures preserve the landmark sequence, cover, graph, and membership-based colorings. For approximate procedures, we derive deterministic bounds on covering radius and landmark separation under additive and multiplicative query errors, prove inclusions for the induced nerve, characterize edge survival through witness redundancy for conservative approximations, and bound perturbations of mean vertex colorings. The accompanying implementation provides independent exact reference backends together with exhaustive and approximate search methods under a common closed ball convention. Experiments on Gaussian, mixture, and noisy curve data across three seeds show that approximation fidelity depends strongly on geometry and that edges supported by multiple witnesses are substantially more robust to missed memberships. At 20,000 observations, the approximate indexes did not outperform exhaustive FAISS Flat search. The results therefore establish a framework for controlled approximation rather than a universal speed advantage, and identify the geometric and combinatorial quantities that govern when approximate range search preserves the Ball Mapper summary.
Jay-Anne Bulauan, John Rick Manzanares
Dec 18, 2025math.PR

Global universal approximation with Brownian signatures

We establish LpL^p-universal approximation theorems for general path-dependent and non-anticipative functionals on suitable rough path spaces, showing that linear functionals acting on signatures of time-extended rough paths are dense with respect to the LpL^p-distance. To that end, we derive global universal approximation theorems for weighted rough path spaces. We demonstrate that these LpL^p-universal approximation theorems apply to Gaussian processes, in particular, to fractional Brownian motion. As a consequence, linear functionals on the signature of the time-extended Brownian motion can approximate any pp-integrable stochastic process adapted to the Brownian filtration, including solutions to stochastic differential equations.
Mihriban Ceylan, David J. Prömel
Dec 9, 2025cs.LG

Spectral Embedding via Chebyshev Bases for Robust DeepONet Approximation

Deep Operator Networks (DeepONets) have emerged as a powerful framework for data-driven operator learning, providing flexible surrogates for nonlinear mappings arising in partial differential equations (PDEs). However, the standard trunk network, which operates directly on raw spatial or spatiotemporal coordinates through fully connected layers, often struggles to represent sharp gradients, boundary layers, and other non-periodic solution structures on bounded domains. To address these limitations, we introduce the Spectral-Embedded Deep Operator Network (SEDONet), a novel DeepONet architecture in which the trunk is driven by a fixed Chebyshev spectral dictionary instead of coordinate inputs. This non-periodic spectral embedding provides a principled inductive bias for bounded domains, enabling the learned operator to capture fine-scale features that are difficult for Fourier-based or MLP-only trunks to represent. SEDONet is evaluated on the 2-D Poisson equation, 1-D Burgers' equation, 1-D advection-diffusion equation, Allen-Cahn equation, Lorenz-96 chaotic system, and Darcy flow, covering elliptic, hyperbolic, parabolic, chaotic, and multiscale problems. Across all benchmarks, SEDONet consistently achieves the lowest or statistically comparable relative L2L^2 errors among DeepONet, FEDONet, and SEDONet, with improvements of up to 54% over the baseline DeepONet and consistent gains over Fourier-embedded variants on bounded, non-periodic problems. Energy spectrum analyses further demonstrate that SEDONet more accurately preserves intermediate- and high-frequency solution structures. The proposed framework provides a simple, parameter-neutral modification to DeepONets, offering a robust and computationally efficient spectral approach for surrogate modeling of nonlinear operators in scientific computing.
Muhammad Abid, Omer San
Nov 16, 2025cs.LG

On the Dimension-Free Approximation of Deep Neural Networks for Symmetric Korobov Functions

Deep neural networks have been widely used as universal approximators for functions with inherent physical structures, including permutation symmetry. In this paper, we construct symmetric deep neural networks to approximate symmetric Korobov functions and prove that both the convergence rate and the constant prefactor scale at most polynomially with respect to the ambient dimension. This represents a substantial improvement over prior approximation guarantees that suffer from the curse of dimensionality. Building on these approximation bounds, we further derive a generalization-error rate for learning symmetric Korobov functions whose leading factors likewise avoid the curse of dimensionality.
Yulong Lu, Tong Mao, Jinchao Xu +1
Oct 20, 2025stat.ML

DFNN: A Deep Fréchet Neural Network Framework for Learning Metric-Space-Valued Responses

Regression with non-Euclidean responses---e.g., probability distributions, networks, symmetric positive-definite matrices, and compositions---has become increasingly important in modern applications. In this paper, we propose deep Fréchet neural networks (DFNNs), an end-to-end deep learning framework for predicting non-Euclidean responses---which are considered as random objects in a metric space---from Euclidean predictors. Our method utilizes the representation-learning power of deep neural networks (DNNs) to the task of approximating conditional Fréchet means of the response given the predictors, the metric-space analogue of conditional expectations, by minimizing a Fréchet risk. The framework is highly flexible, accommodating diverse metrics and high-dimensional predictors. We establish a universal approximation theorem for DFNNs, advancing the state-of-the-art of neural network approximation theory to general metric-space-valued responses, without making model assumptions or relying on local smoothing. We further establish rigorous generalization guarantees for DFNNs and derive corresponding risk bounds, providing, to the best of our knowledge, the first such theoretical results for deep learning regression with metric-space-valued responses. Empirical studies on synthetic distributional and network-valued responses, as well as real-world applications to predicting compositional responses in an Aitchison simplex and spherical responses, demonstrate that DFNNs consistently outperform all existing methods.
Kyum Kim, Yaqing Chen, Paromita Dubey
Oct 9, 2025cs.LG

Computationally-efficient Graph Modeling with Refined Graph Random Features

We propose refined GRFs (GRFs++), a new class of Graph Random Features (GRFs) for efficient and accurate computations involving kernels defined on the nodes of a graph. GRFs++ resolve some of the long-standing limitations of regular GRFs, including difficulty modeling relationships between more distant nodes. They reduce dependence on sampling long graph random walks via a novel walk-stitching technique, concatenating several shorter walks without breaking unbiasedness. By applying these techniques, GRFs++ inherit the approximation quality provided by longer walks but with greater efficiency, trading sequential, inefficient sampling of a long walk for parallel computation of short walks and matrix-matrix multiplication. Furthermore, GRFs++ extend the simplistic GRFs walk termination mechanism (Bernoulli schemes with fixed halting probabilities) to a broader class of strategies, applying general distributions on the walks' lengths. This improves the approximation accuracy of graph kernels, without incurring extra computational cost. We provide empirical evaluations to showcase all our claims and complement our results with theoretical analysis.
Krzysztof Choromanski, Avinava Dubey, Arijit Sehanobish +1
Oct 5, 2025math.NA

Configuration-Dependent Lower Bounds for Approximation by Shallow ReLUk^k Networks on the Sphere

We establish two related but logically distinct results for shallow ReLUk^k neural networks on the unit sphere \SSd\SS^d. First, for an arbitrary set of inner neural-network parameters, the best L2(\SSd)\mathcal{L}^2(\SS^d) approximation of a fixed target function with smoothness r>d+2k+12r>\tfrac{d+2k+1}{2} admits an asymptotic lower bound given by a constant multiple of n1/2hk+1/2n^{-1/2}\underline{h}^{k+1/2}, where h\underline{h} denotes the antipodal separation distance of the normalized inner-parameter set. This lower bound depends explicitly on the parameter configuration through h\underline{h} and applies without additional assumptions on the parameters. Second, for antipodally quasi-uniform parameters, hn1/d\underline{h}\simeq n^{-1/d}, and the lower bound establishes the exact saturation order nd+2k+12dn^{-\frac{d+2k+1}{2d}} for such parameter families: a target function with regularity greater than d+2k+12\frac{d+2k+1}{2} and satisfying the required parity condition can be approximated at this rate, whereas approximation at any strictly faster rate forces the target function to be zero. Our results therefore place linearized neural-network approximation within the classical saturation framework and show that, although ReLUk^k network spaces can outperform finite elements of the same degree, this advantage is intrinsically limited.
Tong Mao, Jinchao Xu
Sep 12, 2025cs.LG

Multipole Semantic Attention: A Fast Approximation of Softmax Attention for Pretraining

Pretraining transformers on long sequences (entire code repositories, collections of related documents) is bottlenecked by quadratic attention costs. We present Multipole Semantic Attention (MuSe), which accelerates 64k-context pretraining by 36% while matching baseline loss, requiring no architectural changes. MuSe clusters queries and keys separately in representation space. This yields query-specific summaries that substantially outperform spatial blocking at matched sparsity, while also enabling drop-in compatibility with existing pretrained models; we validate on Llama 3.1-8B and 3.2-1B without retraining. We pretrain language models up to 1B parameters at 64k context on code and scientific documents, confirming that MuSe preserves quality and long-context utilization during training.
Rupert Mitchell, Kristian Kersting
Aug 4, 2025cs.LG

CRINN: Contrastive Reinforcement Learning for Approximate Nearest Neighbor Search

Approximate nearest-neighbor search (ANNS) algorithms have become increasingly critical for recent AI applications, particularly in retrieval-augmented generation (RAG) and agent-based LLM applications. In this paper, we present CRINN, a new paradigm for ANNS algorithms. CRINN treats ANNS optimization as a reinforcement learning problem where execution speed serves as the reward signal. This approach enables the automatic generation of progressively faster ANNS implementations while maintaining accuracy constraints. Our experimental evaluation demonstrates CRINN's effectiveness across six widely-used NNS benchmark datasets. When compared against state-of-the-art open-source ANNS algorithms, CRINN achieves best performance on three of them (GIST-960-Euclidean, MNIST-784-Euclidean, and GloVe-25-angular), and tied for first place on two of them (SIFT-128-Euclidean and GloVe-25-angular). The implications of CRINN's success reach well beyond ANNS optimization: It validates that LLMs augmented with reinforcement learning can function as an effective tool for automating sophisticated algorithmic optimizations that demand specialized knowledge and labor-intensive manual refinement. Code can be found at https://github.com/deepreinforce-ai/CRINN
Xiaoya Li, Albert Wang, Guoyin Wang +2
Jul 9, 2025cs.LG

Discretization-independent operator learning for partial differential equations

We develop a new and general encode-approximate-reconstruct operator learning model that leverages learned neural representations of bases for input and output function distributions. We introduce the concepts of numerical operator learning and discretization independence, which clarify the relationship between theoretical formulations and practical realizations of operator learning models. Our model is discretization-independent, making it particularly effective for multiresolution learning. We establish theoretical approximation guarantees, demonstrating uniform universal approximation under strong assumptions on the input functions and statistical approximation under weaker conditions. To our knowledge, this is the first comprehensive study that investigates how discretization independence enables robust and efficient multiresolution operator learning. We validate our method through extensive numerical experiments involving both local and nonlocal PDEs, including time-independent and time-dependent problems. The results show that multiresolution training significantly improves accuracy and computational efficiency. Moreover, multiresolution training further enhances empirical discretization independence.
Jacob Hauck, Yanzhi Zhang
Jun 26, 2025math.NA

Uniform Approximation of Functions with Asymmetric Growth and Decay by Deep Weighted Polynomials

Functions that grow without bound on one side of the real line and decay to zero on the other cannot be approximated uniformly by ordinary polynomials on unbounded domains. Motivated by classical weighted polynomial approximation, we introduce a class of one-sided weighted \emph{deep} (composite) polynomial approximants for such asymmetric targets. The weight suppresses polynomial growth on the decaying side, while the composite polynomial remains free to capture growth on the other side. We prove that this mechanism reduces the half-line approximation problem to approximation on a compact interval whose length grows slowly with the degree, and we establish density and existence of best approximants in the appropriate closure of the model class. For computation, we first formulate the method as a trainable computational graph for \emph{deep} weighted polynomial approximation. However, direct end-to-end optimization becomes increasingly ill-conditioned at high composite degree and can suffer from local minima. To address this, we introduce a fine-tuning procedure in which a fixed inner composition of monotone polynomial self-maps supplies the effective degree, while only the outer polynomial and weight parameters are trained; the outer fit reduces to a linear program. Numerical experiments on Black--Scholes option-pricing functions show that the resulting fine-tuned weighted \emph{deep} polynomial achieves smaller uniform and L2L_2 errors than matched-budget polynomial baselines and resolves the decaying tail to machine precision.
Kingsley Yeon, Steven B. Damelin
May 21, 2025cs.LG

Kernel PCA for Out-of-Distribution Detection: Non-Linear Kernel Selection and Approximation

Out-of-Distribution (OoD) detection is vital for the reliability of deep neural networks, the key of which lies in effectively characterizing the disparities between OoD and In-Distribution (InD) data. In this work, such disparities are exploited through a fresh perspective of non-linear feature subspace. That is, a discriminative non-linear subspace is learned from InD features to capture representative patterns of InD, while informative patterns of OoD features cannot be well captured in such a subspace due to their different distribution. Grounded on this perspective, we exploit the deviations of InD and OoD features in such a non-linear subspace for effective OoD detection. To be specific, we leverage the framework of Kernel Principal Component Analysis (KPCA) to attain the discriminative non-linear subspace and deploy the reconstruction error on such subspace to distinguish InD and OoD data. Two challenges emerge: (i) the learning of an effective non-linear subspace, i.e., the selection of kernel function in KPCA, and (ii) the computation of the kernel matrix with large-scale InD data. For the former, we reveal two vital non-linear patterns that closely relate to the InD-OoD disparity, leading to the establishment of a Cosine-Gaussian kernel for constructing the subspace. For the latter, we introduce two techniques to approximate the Cosine-Gaussian kernel with significantly cheap computations. In particular, our approximation is further tailored by incorporating the InD data confidence, which is demonstrated to promote the learning of discriminative subspaces for OoD data. Our study presents new insights into the non-linear feature subspace for OoD detection and contributes practical explorations on the associated kernel design and efficient computations, yielding a KPCA detection method with distinctively improved efficacy and efficiency.
Kun Fang, Qinghua Tao, Mingzhen He +6
May 20, 2025cs.LG

A Private Approximation of the 2nd-Moment Matrix of Any Subsamplable Input

We study the problem of differentially private second moment estimation and present a new algorithm that achieve strong privacy-utility trade-offs even for worst-case inputs under subsamplability assumptions on the data. We call an input (m,α,β)(m,α,β)-subsamplable if a random subsample of size mm (or larger) preserves w.p 1β\geq 1-β the spectral structure of the original second moment matrix up to a multiplicative factor of 1±α1\pm α. Building upon subsamplability, we give a recursive algorithmic framework similar to Kamath et al 2019, that abides zero-Concentrated Differential Privacy (zCDP) while preserving w.h.p. the accuracy of the second moment estimation upto an arbitrary factor of (1±γ)(1\pmγ). We then show how to apply our algorithm to approximate the second moment matrix of a distribution D\mathcal{D}, even when a noticeable fraction of the input are outliers.
Bar Mahpud, Or Sheffet
May 17, 2025cs.LG

Adaptive Resolving Methods for Markov Decision Processes with Function Approximations

Learning the optimal policy for Markov decision process problems (MDPs) from samples is a fundamental problem in online and data-driven decision-making. Function approximations are usually deployed to handle large or infinite state-action space. In our work, we consider the MDP problems with function approximation and we develop a new algorithm to solve it efficiently. Our algorithm is based on a linear programming (LP) reformulation and repeatedly resolves the identified reduced linear system as new transition samples arrive. After the optimal basis is identified, we show that, after NN resolving rounds, the expected averaged iterate achieves an instance-dependent O~(Cinst/N)\widetilde O(C_{\mathrm{inst}}/N) objective shortfall and signed constraint residual. We separately account for the historical samples used for basis identification and the d2d_2 transition queries used in each resolving round, which yields the corresponding total transition-query complexity. We further complement our result with a \textit{robust} O(1/N)O(1/\sqrt{N}) bound that is independent of ΔΔ. In comparison to the guarantees established in the previous literature, our instance dependent guarantee is tighter when the underlying instance is favorable, and the numerical experiments also reveal the wide applications and efficient empirical performances of our algorithms.
Jiashuo Jiang, Yinyu Ye, Yiming Zong
May 6, 2025cs.LG

Sufficient Decision Proxies for Decision-Focused Learning

When solving optimization problems under uncertainty with contextual data, utilizing machine learning to predict the uncertain parameters' values is a popular and effective approach. Decision-focused learning (DFL) aims at learning a predictive model such that decision quality, instead of prediction accuracy, is maximized. Common practice is to predict a single scenario representing the uncertain parameters, implicitly assuming that there exists a deterministic problem approximation (proxy) that allows for optimal decision-making. The opposite has also been considered, where the underlying distribution is estimated with a parameterized distribution. However, little is known about when either choice is valid. This paper investigates for the first time problem properties that justify using a certain decision proxy. Using this, we present alternative decision proxies for DFL, with little or no compromise on the complexity of the learning task. We show the effectiveness of presented approaches in experiments on continuous and discrete problems, as well as problems with uncertainty in the objective function and in the constraints.
Noah Schutte, Grigorii Veviurko, Krzysztof Postek +1
Apr 15, 2025stat.CO

Efficient and Stable Multi-Dimensional Kolmogorov-Smirnov Distance

We revisit extending the Kolmogorov-Smirnov distance between probability distributions to the multi-dimensional setting, and make new arguments about the proper way to approach this generalization. Our proposed formulation maximizes the difference over orthogonal dominating rectangular ranges (d-sided rectangles in R^d), and is an integral probability metric. We also prove that the distance between a distribution and a sample from the distribution converges to 0 as the sample size grows, and bound this rate. Moreover, we show that one can, up to this same approximation error, compute the distance efficiently in 4 or fewer dimensions; specifically, the runtime is near-linear in the size of the sample needed for that error. With this, we derive a delta-precision two-sample hypothesis test using this distance. Finally, we show these metrics and approximation properties do not hold for other popular variants.
Peter Matthew Jacobs, Foad Namjoo, Jeff M. Phillips
Mar 31, 2025math.FA

New universal operator approximation theorem for encoder-decoder architectures

Motivated by the rapidly growing field of mathematics for operator approximation with neural networks, we present a novel universal operator approximation theorem for broad classes of encoder-decoder architectures and a wide range of input and output spaces. In this study, we focus on the approximation of continuous operators between infinite-dimensional normed or metric spaces in the topology of uniform convergence on compact sets. Unlike standard results in the operator learning literature, we additionally investigate the case where the approximating sequence of encoder-decoder architectures can be chosen independently of the compact sets. Taking a topological perspective, we point out that compact-set-independent approximation is a strictly stronger property in most relevant operator learning frameworks. To establish our results, we introduce new approximation properties of input and output spaces tailored to encoder-decoder architectures. These properties enable us to prove a universal operator approximation theorem ensuring uniform convergence on every compact subset of the input space. Our results unify and extend existing universal operator approximation theorems for various encoder-decoder architectures, including classical DeepONets, BasisONets, MIONets, architectures based on frames and other related approaches. A notable feature of our framework is that it also applies to metric spaces beyond the normed setting. In particular, it allows the consideration of pp-Wasserstein spaces of probability measures as input or output spaces, and Skorohod spaces of càdlàg functions as input spaces. This generality also opens up potential applications in optimal transport.
Janek Gödeke, Pascal Fernsel
Mar 7, 2025cs.CE

From Theory to Application: A Practical Introduction to Neural Operators in Scientific Computing

This review examines neural operator architectures for learning solution operators of parametric partial differential equations (PDEs), with an emphasis on conceptual clarity and practical implementation. The work analyzes key models, including DeepONet, PCANet, and the Fourier Neural Operator, highlighting their underlying representations, computational structures, and comparative performance. These architectures are demonstrated on three canonical PDE problems: the Poisson equation, a linear elasticity problem, and a hyperelasticity problem. To make the presentation self-contained, key foundational topics are introduced, including finite-dimensional representations of function spaces, singular-value decomposition, and sampling from infinite-dimensional function spaces. Beyond forward modeling, the review discusses the use of neural operators as surrogate models within a Bayesian inverse-problem framework, including prior specification, forward-map approximation, and posterior computation. The performance of the three neural-operator architectures is evaluated on in-distribution samples, out-of-distribution samples, and Bayesian inference tasks. The review also discusses challenges related to prediction accuracy and generalization, outlining emerging strategies such as residual-based error correction and multi-level training. The review concludes by positioning neural operators within broader scientific-computing workflows and by identifying directions for reliable, scalable operator learning.
Prashant K. Jha
Oct 18, 2024math.OC

Polynomial Scaling is Possible For Neural Operator Approximations of Structured Families of BSDEs

Neural operator (NO) architectures learn nonlinear maps between infinite-dimensional function spaces and are widely used to accelerate simulation and enable data-driven model discovery. While universality results ensure expressivity, they do not address \emph{complexity}: for broad operator classes described only through regularity (e.g.\ uniform continuity or CrC^r-regularity), information-theoretic lower bounds imply that minimax-optimal NO approximation rates scale \emph{exponentially} in the reciprocal accuracy 1/ε1/\varepsilon. This has shifted the focus of NO theory toward identifying additional problem-specific structure, beyond regularity, under which suitably tailored NO architectures can leverage to unlock polynomial scaling in 1/ε1/\varepsilon. We exhibit the first polynomial-scaling regime for NO approximations of solution operators in stochastic analysis; by identifying structured families of \emph{non-Markovian} BSDEs with randomized terminal condition parameterized by the Sobolev-regular terminal condition and by Sobolev-regular additive nonlinear perturbations of the generator. We prove that their solution operator can be approximated (uniformly over the family) by a tailored NO whose number of trainable parameters grows \emph{polynomially} in 1/ε1/\varepsilon. We unlock this polynomial scaling regime by \emph{informing the NO's inductive bias} by factoring out the singular part of the associated semilinear elliptic PDE Green's function and by incorporating the Doléans--Dade exponential of the BSDE's common non-Markovian factor into the NO's decoding layers. As a byproduct, we extend polynomial-scaling guarantees from families of linear elliptic PDEs on regular domains to the semilinear setting.
Takashi Furuya, Anastasis Kratsios
Oct 14, 2024math.NA

Which Spaces can be Embedded in LpL_p-type Reproducing Kernel Banach Space? A Characterization via Metric Entropy

In this paper, we establish a novel connection between the metric entropy growth and the embeddability of function spaces into reproducing kernel Hilbert/Banach spaces. Metric entropy characterizes the information complexity of function spaces and has implications for their approximability and learnability. Classical results show that embedding a function space into a reproducing kernel Hilbert space (RKHS) implies a bound on its metric entropy growth. Surprisingly, we prove a \textbf{converse}: a bound on the metric entropy growth of a function space allows its embedding to a LpL_p-type Reproducing Kernel Banach Space (RKBS). This shows that the Lp{L}_p-type RKBS provides a broad modeling framework for learnable function classes with controlled metric entropies. Our results shed new light on the power and limitations of kernel methods for learning complex function spaces.
Yiping Lu, Daozhe Lin, Qiang Du
Jul 15, 2024cs.DS

Faster and Simpler Greedy Algorithm for kk-Median and kk-Means

Clustering problems such as kk-means and kk-median are staples of unsupervised learning, and many algorithmic techniques have been developed to tackle their numerous aspects. In this paper, we focus on the class of greedy approximation algorithm, that attracted less attention than local-search or primal-dual counterparts. In particular, we study the recursive greedy algorithm developed by Mettu and Plaxton [SIAM J. Comp 2003]. We provide a simplification of the algorithm, allowing for faster implementation, in graph metrics or in Euclidean space, where our algorithm matches or improves the state-of-the-art.
Max Dupré la Tour, David Saulpic
May 15, 2024cs.LG

Measuring Model-Induced Discrimination via Efficient Fairness Approximation

Providing various machine learning (ML) applications in the real world, concerns about discrimination hidden in ML models are growing, particularly in high-stakes domains. Existing techniques for assessing the discrimination level of ML models include commonly used group and individual fairness measures. However, these two types of fairness measures are usually hard to be compatible, and even two different group fairness measures might be incompatible as well. To address this issue, we investigate and evaluate the discrimination level of classifiers from a manifold perspective and propose a fairness measure named harmonic fairness via manifolds (HFM)'' based on distances between sets. Yet the direct calculation of distances might be too expensive to afford, reducing its practical applicability. Therefore, we devise an approximation algorithm named Approximation of distance between sets (ApproxDist)'' to facilitate accurate estimation of distances, and we further demonstrate its algorithmic effectiveness under certain reasonable assumptions. Empirical results indicate that the proposed fairness measure HFM reflects bias from both individual and group fairness aspects and that the proposed ApproxDist is effective and efficient.
Yijun Bian, Yujie Luo
Mar 27, 2024math.OC

The best approximation pair problem relative to two subsets in a normed space

In the classical best approximation pair (BAP) problem, one is given two nonempty, closed, convex and disjoint subsets in a finite- or an infinite-dimensional Hilbert space, and the goal is to find a pair of points, each from each subset, which realizes the distance between the subsets. Motivated by our recent algorithm for solving the BAP problem [Censor, Mansour, Reem, J. Approx. Theory (2024)], we discuss the problem in more general normed spaces and with possibly non-convex subsets, and focus our attention on the fundamental issues of uniqueness and existence of the solution to the problem. We present several sufficient geometric conditions for the (at most) uniqueness of a BAP. These conditions are related to the structure and the relative orientation of the boundaries of the subsets and to the norm. We also present many sufficient conditions for the existence of a BAP. In general, the paper re-examines several aspects related to the BAP problem, including the historical one, and shows, probably for the first time, how wide is the scope of the BAP problem in terms of the scientific communities which are involved in it (frequently independently) and in terms of its applications.
Daniel Reem, Yair Censor
Dec 24, 2023cs.LG

Semi-Bandit Learning for Monotone Stochastic Optimization

Stochastic optimization is a widely used approach for optimization under uncertainty, where uncertain input parameters are modeled by random variables. Exact or approximation algorithms have been obtained for several fundamental problems in this area. However, a significant limitation of this approach is that it requires full knowledge of the underlying probability distributions. Can we still get good (approximation) algorithms if these distributions are unknown, and the algorithm needs to learn them through repeated interactions? In this paper, we resolve this question for a large class of ''monotone'' stochastic problems, by providing a generic online learning algorithm with Tlog(T)\sqrt{T\log(T)} regret relative to the best approximation algorithm (under known distributions). Importantly, our online algorithm works in a semi-bandit setting, where in each period, the algorithm only observes samples from the random variables that were actually probed. Moreover, our result extends to settings with censored and binary feedback, where the policy only observes truncated or thresholded versions of the probed variables. Our framework applies to several fundamental problems such as prophet inequality, Pandora's box, stochastic knapsack, single-resource revenue management and sequential posted pricing.
Arpit Agarwal, Rohan Ghuge, Viswanath Nagarajan +1
Oct 13, 2023stat.ML

Structured Approximations of Measures

We study the approximation of probability measures in the Wasserstein-pp distance by structured classes of approximators, motivated by applications in imaging, machine learning, and physical measurement under sensor constraints. We obtain three sets of results. First, for measures with densities bounded away from zero on a bounded Lipschitz domain ΩΩ, we prove that any approximation scheme for functions in Lp(Ω)\mathrm{L}_p(Ω) transfers, with linear rate, to a corresponding approximation scheme for measures in Wp(Ω)\mathrm{W}_p(Ω). The argument applies a theorem of Bogovskii on regularity of solutions to the continuity equation in the Benamou-Brenier formulation of optimal transport. We exhibit concrete approximation schemes (polynomials, shift-invariant spaces, cardinal interpolation with radial basis functions, kernel density estimators, and piecewise approximations on nonuniform Voronoi partitions) that fit the framework. As a matter of independent interest, we prove a negative Sobolev lower bound that generalizes existing bounds from p=2p=2 to all p(1,)p\in(1,\infty). We also consider deterministic bounds for discrete approximations to arbitrary measures in terms of the mesh norm of a quasi-uniform set of points. We specialize these bounds to show that compactly supported measures admit a deterministic NN-term approximation μNμ_N such that Wp(μ,μN)=O(N1d)\mathrm{W}_p(μ,μ_N) = O(N^{-\frac{1}{d}}) for all d1d\geq 1, which matches the asymptotic optimal quantizer rate. We also extend these results to non-compactly supported measures with appropriate tail decay.
Keaton Hamm, Varun Khurana
Jul 13, 2023cs.LG

Deep Network Approximation: Beyond ReLU to Diverse Activation Functions

This paper explores the expressive power of deep neural networks for a diverse range of activation functions. An activation function set A\mathscr{A} is defined to encompass the majority of commonly used activation functions, such as ReLU\mathtt{ReLU}, LeakyReLU\mathtt{LeakyReLU}, ReLU2\mathtt{ReLU}^2, ELU\mathtt{ELU}, CELU\mathtt{CELU}, SELU\mathtt{SELU}, Softplus\mathtt{Softplus}, GELU\mathtt{GELU}, SiLU\mathtt{SiLU}, Swish\mathtt{Swish}, Mish\mathtt{Mish}, Sigmoid\mathtt{Sigmoid}, Tanh\mathtt{Tanh}, Arctan\mathtt{Arctan}, Softsign\mathtt{Softsign}, dSiLU\mathtt{dSiLU}, and SRS\mathtt{SRS}. We demonstrate that for any activation function ϱA\varrho\in \mathscr{A}, a ReLU\mathtt{ReLU} network of width NN and depth LL can be approximated to arbitrary precision by a ϱ\varrho-activated network of width 3N3N and depth 2L2L on any bounded set. This finding enables the extension of most approximation results achieved with ReLU\mathtt{ReLU} networks to a wide variety of other activation functions, albeit with slightly increased constants. Significantly, we establish that the (width,\,depth) scaling factors can be further reduced from (3,2)(3,2) to (1,1)(1,1) if ϱ\varrho falls within a specific subset of A\mathscr{A}. This subset includes activation functions such as ELU\mathtt{ELU}, CELU\mathtt{CELU}, SELU\mathtt{SELU}, Softplus\mathtt{Softplus}, GELU\mathtt{GELU}, SiLU\mathtt{SiLU}, Swish\mathtt{Swish}, and Mish\mathtt{Mish}.
Shijun Zhang, Jianfeng Lu, Hongkai Zhao
Apr 27, 2023cs.LG

Proportionally Representative Clustering

In recent years, there has been a surge in effort to formalize notions of fairness in machine learning. We focus on centroid clustering--one of the fundamental tasks in unsupervised machine learning. We propose a new axiom ``proportionally representative fairness'' (PRF) that is designed for clustering problems where the selection of centroids reflects the distribution of data points and how tightly they are clustered together. Our fairness concept is not satisfied by existing fair clustering algorithms. We design efficient algorithms to achieve PRF both for unconstrained and discrete clustering problems. Our algorithm for the unconstrained setting is also the first known polynomial-time approximation algorithm for the well-studied Proportional Fairness (PF) axiom. Our algorithm for the discrete setting also matches the best known approximation factor for PF.
Haris Aziz, Barton E. Lee, Sean Morota Chu +1
Dec 2, 2020math.NA

Deep learning based numerical approximation algorithms for stochastic partial differential equations

In this article, we introduce a deep learning based approximation algorithm for SPDEs. Our approach employs neural networks to approximate the solutions of SPDEs along given realizations of the driving noise process. If applied to a set of simulated noise trajectories, it yields empirical distributions of SPDE solutions, from which functionals like the mean and variance can be estimated. We test the performance of the method on stochastic heat equations with additive and multiplicative noise as well as stochastic Black-Scholes equations with multiplicative noise and Zakai equations from nonlinear filtering theory. In all cases, the proposed algorithm yields accurate results with short runtimes in up to 100 space dimensions.
Christian Beck, Sebastian Becker, Patrick Cheridito +2
Date pendingmath.ST

On Universality of Non-Separable Approximate Message Passing Algorithms

Mean-field characterizations of first-order iterative algorithms -- including Approximate Message Passing (AMP), stochastic and proximal gradient descent, and Langevin diffusions -- have enabled a precise understanding of learning dynamics in many statistical applications. For algorithms whose non-linearities have a coordinate-separable form, it is known that such characterizations enjoy a degree of universality with respect to the underlying data distribution. However, mean-field characterizations of non-separable algorithm dynamics have largely remained restricted to i.i.d. Gaussian or rotationally-invariant data. In this work, we initiate a study of universality for non-separable AMP algorithms. We identify a general condition for AMP with polynomial non-linearities, in terms of a Bounded Composition Property (BCP) for their representing tensors, to admit a state evolution that holds universally for matrices with non-Gaussian entries. We then formalize a condition of BCP-approximability for Lipschitz AMP algorithms to enjoy a similar universal guarantee. We demonstrate that many common classes of non-separable non-linearities are BCP-approximable, including local denoisers, spectral denoisers for generic signals, and compositions of separable functions with generic linear maps, implying the universality of state evolution for AMP algorithms employing these non-linearities.
Max Lovig, Tianhao Wang, Zhou Fan
Date pendingcs.LG

Autonomous-Flow-Based Generation

We show that using autonomous-flow-based generation, one can universally approximate orientation-preserving diffeomorphisms defined on the cube by Neural ODEs with rate O(P1/d)\mathcal{O}(P^{-1/d}) with PP parameters. On the other hand, we show that by using only a single autonomous flow, the class of Neural ODEs is nowhere dense on the cube in dimension d2d \ge 2 . Under a compact-supportid_\mathrm{id} condition on (0,1)d(0,1)^d, we show that using autonomous-flow-based generation, one can universally approximate compactly supportedid_\mathrm{id} diffeomorphisms on (0,1)d(0,1)^d for any dimension with rate O((PlogP)2/d)\mathcal{O}((\frac{P}{\log P})^{-2/d}) with PP parameters and for compactly supportedid_\mathrm{id} homeomorphisms on (0,1)d(0,1)^d in dimension d5d \geq 5 with rate O(P1/(d+1))\mathcal{O}(P^{-1/(d+1)}) with PP parameters and by a composition of at most IdI_d autonomous Neural ODEs with the same supportid_\mathrm{id}, where IdI_d depends only on the dimension. Moreover, we show that the class of single autonomous flows compactly supportedid_\mathrm{id} on (0,1)d(0,1)^d is meagre in the space of compactly supportedid_\mathrm{id} homeomorphisms on (0,1)d(0,1)^d for d2d\ge 2. By linearly lifting the domain into one higher dimension, we obtain a universal approximation result for Lipschitz functions compactly supported on (0,1)d(0,1)^d with rate O(P1/(d+1))\mathcal{O}(P^{-1/(d+1)}) with PP parameters.
Hossein Rouhvarzi, Anastasis Kratsios