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Balancing predictive power and interpretability has long been a challenging research area, particularly in powerful yet complex models like neural networks, where nonlinearity obstructs direct interpretation. This paper introduces a novel…

Machine Learning · Computer Science 2025-02-20 Antoine Ledent , Peng Liu

We present a theory for simultaneous approximation of the score function and its derivatives, enabling the handling of data distributions with low-dimensional structure and unbounded support. Our approximation error bounds match those in…

Numerical Analysis · Mathematics 2025-12-30 Konstantin Yakovlev , Nikita Puchkin

Prediction models based on deep neural networks are increasingly gaining attention for fast and accurate virtual screening systems. For decision makings in virtual screening, researchers find it useful to interpret an output of…

Machine Learning · Computer Science 2020-03-18 Soojung Yang , Kyung Hoon Lee , Seongok Ryu

Scientific discovery and engineering design are currently limited by the time and cost of physical experiments, selected mostly through trial-and-error and intuition that require deep domain expertise. Numerical simulations present an…

Machine Learning · Computer Science 2024-01-08 Kamyar Azizzadenesheli , Nikola Kovachki , Zongyi Li , Miguel Liu-Schiaffini , Jean Kossaifi , Anima Anandkumar

This paper considers a simulation-based estimator for a general class of Markovian processes and explores some strong consistency properties of the estimator. The estimation problem is defined over a continuum of invariant distributions…

Probability · Mathematics 2010-01-14 Manuel S. Santos

This paper presents foundational theoretical results on distributed parameter estimation for undirected probabilistic graphical models. It introduces a general condition on composite likelihood decompositions of these models which…

Machine Learning · Statistics 2014-06-13 Yariv Dror Mizrahi , Misha Denil , Nando de Freitas

Score function estimation is the cornerstone of both training and sampling from diffusion generative models. Despite this fact, the most commonly used estimators are either biased neural network approximations or high variance Monte Carlo…

Purpose: To develop neural network (NN)-based quantitative MRI parameter estimators with minimal bias and a variance close to the Cram\'er-Rao bound. Theory and Methods: We generalize the mean squared error loss to control the bias and…

Medical Physics · Physics 2024-05-07 Andrew Mao , Sebastian Flassbeck , Jakob Assländer

In some estimation problems, especially in applications dealing with information theory, signal processing and biology, theory provides us with additional information allowing us to restrict the parameter space to a finite number of points.…

Methodology · Statistics 2012-07-25 Christine Choirat , Raffaello Seri

Tuning parameters are parameters involved in an estimating procedure for the purpose of reducing the risk of some other estimator. Examples include the degree of penalization in penalized regression and likelihood problems, as well as the…

Statistics Theory · Mathematics 2026-03-31 Ingrid Dæhlen , Nils Lid Hjort , Ingrid Hobæk Haff

Regression methods are fundamental for scientific and technological applications. However, fitted models can be highly unreliable outside of their training domain, and hence the quantification of their uncertainty is crucial in many of…

Machine Learning · Statistics 2024-03-05 Filippo Bigi , Sanggyu Chong , Michele Ceriotti , Federico Grasselli

Classical deep learning typically operates on individual cases. Despite its success, real-world usage often requires repeated inference to estimate statistical quantities for complex decision-making tasks involving uncertainty or…

Machine Learning · Computer Science 2026-05-13 Daniel Xu , Yuxin Xie , Minghao Guo , Haixu Wu , Wojciech Matusik

Can regularization terms in the training of invertible neural networks lead to known Bayesian point estimators in reconstruction? Invertible networks are attractive for inverse problems due to their inherent stability and interpretability.…

Machine Learning · Computer Science 2025-10-31 Nick Heilenkötter

Tempered stable distributions are frequently used in financial applications (e.g., for option pricing) in which the tails of stable distributions would be too heavy. Given the non-explicit form of the probability density function,…

Statistics Theory · Mathematics 2024-07-08 Till Massing

In the context of nonparametric regression, we study conditions under which the consistency (and rates of convergence) of estimators built from discretely sampled curves can be derived from the consistency of estimators based on the…

Statistics Theory · Mathematics 2017-05-29 Forzani Liliana , Fraiman Ricardo , Llop Pamela

We develop a theory of estimation when in addition to a sample of $n$ observed outcomes the underlying probabilities of the observed outcomes are known, as is typically the case in the context of numerical simulation modeling, e.g. in…

Methodology · Statistics 2023-04-14 Jobst Heitzig

Neural sequence models, especially transformers, exhibit a remarkable capacity for in-context learning. They can construct new predictors from sequences of labeled examples $(x, f(x))$ presented in the input without further parameter…

Machine Learning · Computer Science 2023-05-19 Ekin Akyürek , Dale Schuurmans , Jacob Andreas , Tengyu Ma , Denny Zhou

Doubly robust estimators of causal effects are a popular means of estimating causal effects. Such estimators combine an estimate of the conditional mean of the outcome given treatment and confounders (the so-called outcome regression) with…

Methodology · Statistics 2019-01-17 David Benkeser , Weixin Cai , Mark J van der Laan

Our work utilized a non-sequential simulation-based inference algorithm to provide an amortized neural density estimator, which approximates the posterior distribution for seven parameters of the adaptive exponential integrate-and-fire…

Neural and Evolutionary Computing · Computer Science 2026-02-13 Jakob Kaiser , Eric Müller , Johannes Schemmel

Uncertainty estimation methods using deep learning approaches strive against separating how uncertain the state of the world manifests to us via measurement (objective end) from the way this gets scrambled with the model specification and…

Machine Learning · Statistics 2023-04-21 Edgardo Solano-Carrillo
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