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Uncertainty quantification is critical for ensuring robustness in high-stakes machine learning applications. We introduce HybridFlow, a modular hybrid architecture that unifies the modeling of aleatoric and epistemic uncertainty by…

Machine Learning · Computer Science 2025-10-16 Peter Van Katwyk , Karianne J. Bergen

Generative artificial intelligence is now a widely used tool in molecular science. Despite the popularity of probabilistic generative models, numerical experiments benchmarking their performance on molecular data are lacking. In this work,…

Machine Learning · Computer Science 2024-11-15 Richard John , Lukas Herron , Pratyush Tiwary

Conventional deep models predict a test sample with a single forward propagation, which, however, may not be sufficient for predicting hard-classified samples. On the contrary, we human beings may need to carefully check the sample many…

Computer Vision and Pattern Recognition · Computer Science 2022-03-29 Shuaicheng Niu , Jiaxiang Wu , Yifan Zhang , Guanghui Xu , Haokun Li , Peilin Zhao , Junzhou Huang , Yaowei Wang , Mingkui Tan

One-shot Imitation Learning~(OSIL) aims to imbue AI agents with the ability to learn a new task from a single demonstration. To supervise the learning, OSIL typically requires a prohibitively large number of paired expert demonstrations --…

Machine Learning · Computer Science 2024-08-13 Philipp Wu , Kourosh Hakhamaneshi , Yuqing Du , Igor Mordatch , Aravind Rajeswaran , Pieter Abbeel

Generative models can be categorized into two types: explicit generative models that define explicit density forms and allow exact likelihood inference, such as score-based diffusion models (SDMs) and normalizing flows; implicit generative…

Machine Learning · Statistics 2023-07-06 Jingwei Zhang , Han Shi , Jincheng Yu , Enze Xie , Zhenguo Li

Recent studies suggest utilizing generative models instead of traditional auto-regressive algorithms for time series forecasting (TSF) tasks. These non-auto-regressive approaches involving different generative methods, including GAN,…

Machine Learning · Computer Science 2025-03-19 Jiangxuan Long , Zhao Song , Chiwun Yang

We present a simple comparative framework for testing and developing uncertainty modeling in uncertain marching cubes implementations. The selection of a model to represent the probability distribution of uncertain values directly…

Human-Computer Interaction · Computer Science 2024-09-16 Robert Sisneros , Tushar M. Athawale , David Pugmire , Kenneth Moreland

Recent advances in probabilistic modelling have led to a large number of simulation-based inference algorithms which do not require numerical evaluation of likelihoods. However, a public benchmark with appropriate performance metrics for…

Machine Learning · Statistics 2021-04-12 Jan-Matthis Lueckmann , Jan Boelts , David S. Greenberg , Pedro J. Gonçalves , Jakob H. Macke

Bayesian simulation-based inference (SBI) methods are used in statistical models where simulation is feasible but the likelihood is intractable. Standard SBI methods can perform poorly in cases of model misspecification, and there has been…

Methodology · Statistics 2025-04-15 Wang Yuyan , Michael Evans , David J. Nott

Many real-world applications of flow-based generative models desire a diverse set of samples that cover multiple modes of the target distribution. However, the predominant approach for obtaining diverse sets is not sample-efficient, as it…

Machine Learning · Computer Science 2025-04-11 Mashrur M. Morshed , Vishnu Boddeti

Diffusion and flow policies are gaining prominence in online reinforcement learning (RL) due to their expressive power, yet training them efficiently remains a critical challenge. A fundamental difficulty in online RL is the lack of direct…

Machine Learning · Computer Science 2026-01-14 Zeyang Li , Sunbochen Tang , Navid Azizan

Simulation-based inference (SBI) is a method to perform inference on a variety of complex scientific models with challenging inference (inverse) problems. Bayesian Optimal Experimental Design (BOED) aims to efficiently use experimental…

Machine Learning · Statistics 2025-02-13 Vincent D. Zaballa , Elliot E. Hui

The present paper deals with the problem of improving the efficiency of large scale turbulent flow simulations. The high-fidelity methods for modelling turbulent flows become available for a wider range of applications thanks to the…

Computational Physics · Physics 2018-04-10 Boris Krasnopolsky

Flow matching and diffusion bridge models have emerged as leading paradigms in generative speech enhancement, modeling stochastic processes between paired noisy and clean speech signals based on principles such as flow matching, score…

Audio and Speech Processing · Electrical Eng. & Systems 2026-02-23 Dahan Wang , Jun Gao , Tong Lei , Yuxiang Hu , Changbao Zhu , Kai Chen , Jing Lu

Simulation-based inference (SBI) is an established approach for performing Bayesian inference on scientific simulators. SBI so far works best on low-dimensional parametric models. However, it is difficult to infer function-valued…

Machine Learning · Computer Science 2025-11-17 Guy Moss , Leah Sophie Muhle , Reinhard Drews , Jakob H. Macke , Cornelius Schröder

Diffusion and flow-matching models achieve remarkable generative performance but at the cost of many sampling steps, this slows inference and limits applicability to time-critical tasks. The ReFlow procedure can accelerate sampling by…

Machine Learning · Computer Science 2024-10-11 Beomsu Kim , Yu-Guan Hsieh , Michal Klein , Marco Cuturi , Jong Chul Ye , Bahjat Kawar , James Thornton

Generative motion prediction must satisfy three simultaneous requirements for real-world autonomy: high accuracy, diverse multimodal futures, and strictly bounded latency. Diffusion models meet the first two but violate the third, requiring…

Robotics · Computer Science 2026-04-30 Leandro Di Bella , Adrian Munteanu , Bruno Cornelis

The choice of approximate posterior distribution is one of the core problems in variational inference. Most applications of variational inference employ simple families of posterior approximations in order to allow for efficient inference,…

Machine Learning · Statistics 2016-06-15 Danilo Jimenez Rezende , Shakir Mohamed

Simulation-based Bayesian inference (SBI) can be used to estimate the parameters of complex mechanistic models given observed model outputs without requiring access to explicit likelihood evaluations. A prime example for the application of…

Machine Learning · Computer Science 2022-11-28 Jonas Beck , Michael Deistler , Yves Bernaerts , Jakob Macke , Philipp Berens

Scientific modeling applications often require estimating a distribution of parameters consistent with a dataset of observations - an inference task also known as source distribution estimation. This problem can be ill-posed, however, since…

Machine Learning · Computer Science 2024-12-02 Julius Vetter , Guy Moss , Cornelius Schröder , Richard Gao , Jakob H. Macke
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