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Boltzmann generators approach the sampling problem in many-body physics by combining a normalizing flow and a statistical reweighting method to generate samples of a physical system's equilibrium density. The equilibrium distribution is…

Computational Physics · Physics 2020-12-02 Manuel Dibak , Leon Klein , Frank Noé

In safety-critical applications like medical diagnosis, certainty associated with a model's prediction is just as important as its accuracy. Consequently, uncertainty estimation and reduction play a crucial role. Uncertainty in predictions…

Image and Video Processing · Electrical Eng. & Systems 2023-09-12 Abhishek Singh Sambyal , Narayanan C. Krishnan , Deepti R. Bathula

Modern statistical inference tasks often require iterative optimization methods to compute the solution. Convergence analysis from an optimization viewpoint only informs us how well the solution is approximated numerically but overlooks the…

Machine Learning · Statistics 2020-07-27 Tengyuan Liang , Weijie Su

Calibration ensures that probabilistic forecasts meaningfully capture uncertainty by requiring that predicted probabilities align with empirical frequencies. However, many existing calibration methods are specialized for post-hoc…

Machine Learning · Computer Science 2023-11-01 Charles Marx , Sofian Zalouk , Stefano Ermon

Accurate probabilistic predictions can be characterized by two properties -- calibration and sharpness. However, standard maximum likelihood training yields models that are poorly calibrated and thus inaccurate -- a 90% confidence interval…

Machine Learning · Computer Science 2025-05-14 Volodymyr Kuleshov , Shachi Deshpande

This paper provides an elementary, self-contained analysis of diffusion-based sampling methods for generative modeling. In contrast to existing approaches that rely on continuous-time processes and then discretize, our treatment works…

Machine Learning · Statistics 2025-06-25 Galen Reeves , Henry D. Pfister

Often it is desirable to stabilize a system around an optimal state. This can be effectively accomplished using feedback control, where the system deviation from the desired state is measured in order to determine the magnitude of the…

Soft Condensed Matter · Physics 2016-09-07 Aykut Argun , Giovanni Volpe

As a highly expressive generative model, diffusion models have demonstrated exceptional success across various domains, including image generation, natural language processing, and combinatorial optimization. However, as data distributions…

Machine Learning · Computer Science 2025-10-27 Myunsoo Kim , Donghyeon Ki , Seong-Woong Shim , Byung-Jun Lee

This article is concerned with the mathematical analysis of a family of adaptive importance sampling algorithms applied to diffusion processes. These methods, referred to as Adaptive Biasing Potential methods, are designed to efficiently…

Probability · Mathematics 2018-05-10 Michel Benaïm , Charles-Edouard Bréhier

Dropout is known as an effective way to reduce overfitting via preventing co-adaptations of units. In this paper, we theoretically prove that the co-adaptation problem still exists after using dropout due to the correlations among the…

Computation and Language · Computer Science 2019-08-07 Shen Li , Chenhao Su , Renfen Hu , Zhengdong Lu

Using simulations or experiments performed at some set of temperatures to learn about the physics or chemistry at some other arbitrary temperature is a problem of immense practical and theoretical relevance. Here we develop a framework…

Statistical Mechanics · Physics 2022-10-17 Yihang Wang , Lukas Herron , Pratyush Tiwary

When facing uncertainty, decision-makers want predictions they can trust. A machine learning provider can convey confidence to decision-makers by guaranteeing their predictions are distribution calibrated -- amongst the inputs that receive…

Machine Learning · Statistics 2021-07-14 Shengjia Zhao , Michael P. Kim , Roshni Sahoo , Tengyu Ma , Stefano Ermon

Sampling is an important tool for estimating large, complex sums and integrals over high dimensional spaces. For instance, important sampling has been used as an alternative to exact methods for inference in belief networks. Ideally, we…

Artificial Intelligence · Computer Science 2013-01-18 Luis E. Ortiz , Leslie Pack Kaelbling

Generating data from discrete distributions is important for a number of application domains including text, tabular data, and genomic data. Several groups have recently used random $k$-satisfiability ($k$-SAT) as a synthetic benchmark for…

Machine Learning · Computer Science 2026-03-24 Alankrita Bhatt , Mukur Gupta , Germain Kolossov , Andrea Montanari

Temperature scaling is a popular technique for tuning the sharpness of a model distribution. It is used extensively for sampling likely generations and calibrating model uncertainty, and even features as a controllable parameter to many…

Machine Learning · Computer Science 2023-10-03 Andy Shih , Dorsa Sadigh , Stefano Ermon

We consider the following distributed consensus problem: Each node in a complete communication network of size $n$ initially holds an \emph{opinion}, which is chosen arbitrarily from a finite set $\Sigma$. The system must converge toward a…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-08-28 Luca Becchetti , Andrea Clementi , Emanuele Natale , Francesco Pasquale , Luca Trevisan

Recently, diffusion probabilistic models (DPMs) have achieved promising results in diverse generative tasks. A typical DPM framework includes a forward process that gradually diffuses the data distribution and a reverse process that…

Machine Learning · Computer Science 2023-10-31 Tianyu Pang , Cheng Lu , Chao Du , Min Lin , Shuicheng Yan , Zhijie Deng

Artificial intelligence safety research focuses on aligning individual language models with human values, yet deployed AI systems increasingly operate as interacting populations where social influence may override individual alignment. Here…

Physics and Society · Physics 2026-05-12 Giordano De Marzo , Alessandro Bellina , Claudio Castellano , Viola Priesemann , David Garcia

Simulating the conditioned dynamics of diffusion processes, given their initial and terminal states, is an important but challenging problem in the sciences. The difficulty is particularly pronounced for rare events, for which the…

Machine Learning · Statistics 2026-04-23 Samuel Howard , Nikolas Nüsken , Jakiw Pidstrigach

The most fundamental problem in statistics is the inference of an unknown probability distribution from a finite number of samples. For a specific observed data set, answers to the following questions would be desirable: (1) Estimation:…

Statistics Theory · Mathematics 2013-01-23 Ali Kinkhabwala
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