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Reliable detection of out-of-distribution (OOD) inputs is increasingly understood to be a precondition for deployment of machine learning systems. This paper proposes and investigates the use of contrastive training to boost OOD detection…

Diffusion models have demonstrated empirical successes in various applications and can be adapted to task-specific needs via guidance. This paper studies a form of gradient guidance for adapting a pre-trained diffusion model towards…

Machine Learning · Statistics 2024-10-17 Yingqing Guo , Hui Yuan , Yukang Yang , Minshuo Chen , Mengdi Wang

Distributed optimization is the standard way of speeding up machine learning training, and most of the research in the area focuses on distributed first-order, gradient-based methods. Yet, there are settings where some…

Machine Learning · Computer Science 2025-11-03 Matin Ansaripour , Shayan Talaei , Giorgi Nadiradze , Dan Alistarh

Optimizing complex systems, from discovering therapeutic drugs to designing high-performance materials, remains a fundamental challenge across science and engineering, as the underlying rules are often unknown and costly to evaluate.…

Machine Learning · Computer Science 2026-01-13 Tailin Zhou , Zhilin Chen , Wenlong Lyu , Zhitang Chen , Danny H. K. Tsang , Jun Zhang

To deploy machine learning models in the real world, researchers have proposed many OOD detection algorithms to help models identify unknown samples during the inference phase and prevent them from making untrustworthy predictions. Unlike…

Machine Learning · Computer Science 2025-02-25 Heng Gao , Zhuolin He , Jian Pu

We study the problem of estimating the distribution of the return of a policy using an offline dataset that is not generated from the policy, i.e., distributional offline policy evaluation (OPE). We propose an algorithm called Fitted…

Machine Learning · Computer Science 2024-01-01 Runzhe Wu , Masatoshi Uehara , Wen Sun

Diffusion models have attained prominence for their ability to synthesize a probability distribution for a given dataset via a diffusion process, enabling the generation of new data points with high fidelity. However, diffusion processes…

Machine Learning · Computer Science 2024-11-25 Shervin Khalafi , Dongsheng Ding , Alejandro Ribeiro

Higher-order ODE solvers have become a standard tool for accelerating diffusion probabilistic model (DPM) sampling, motivating the widespread view that first-order methods are inherently slower and that increasing discretization order is…

Machine Learning · Statistics 2026-01-01 Yuchen Jiao , Na Li , Changxiao Cai , Gen Li

Score-based generative modeling (SGM) has grown to be a hugely successful method for learning to generate samples from complex data distributions such as that of images and audio. It is based on evolving an SDE that transforms white noise…

Machine Learning · Computer Science 2022-10-04 Holden Lee , Jianfeng Lu , Yixin Tan

Diffusion-based generative models (DBGMs) perturb data to a target noise distribution and reverse this process to generate samples. The choice of noising process, or inference diffusion process, affects both likelihoods and sample quality.…

Machine Learning · Computer Science 2023-03-06 Raghav Singhal , Mark Goldstein , Rajesh Ranganath

General unsupervised learning is a long-standing conceptual problem in machine learning. Supervised learning is successful because it can be solved by the minimization of the training error cost function. Unsupervised learning is not as…

Machine Learning · Computer Science 2015-12-04 Ilya Sutskever , Rafal Jozefowicz , Karol Gregor , Danilo Rezende , Tim Lillicrap , Oriol Vinyals

Differential equations in general and neural ODEs in particular are an essential technique in continuous-time system identification. While many deterministic learning algorithms have been designed based on numerical integration via the…

Machine Learning · Computer Science 2021-10-18 Lenart Treven , Philippe Wenk , Florian Dörfler , Andreas Krause

Score-based models, trained with denoising score matching, are remarkably effective in generating high dimensional data. However, the high variance of their training objective hinders optimisation. We attempt to reduce it with a control…

Machine Learning · Computer Science 2024-08-23 Paul Jeha , Will Grathwohl , Michael Riis Andersen , Carl Henrik Ek , Jes Frellsen

Diffusion models, which have been advancing rapidly in recent years, may generate samples that closely resemble the training data. This phenomenon, known as memorization, may lead to copyright issues. In this study, we propose a method to…

Machine Learning · Computer Science 2025-03-26 Masaya Hasegawa , Koji Yasuda

Masked Diffusion Models (MDMs) have emerged as one of the most promising paradigms for generative modeling over discrete domains. It is known that MDMs effectively train to decode tokens in a random order, and that this ordering has…

Machine Learning · Computer Science 2025-11-25 Prateek Garg , Bhavya Kohli , Sunita Sarawagi

In this paper, our aim is to analyse the generalization capabilities of first-order methods for statistical learning in multiple, different yet related, scenarios including supervised learning, transfer learning, robust learning and…

Machine Learning · Computer Science 2024-07-02 Kevin Scaman , Mathieu Even , Batiste Le Bars , Laurent Massoulié

Modelling partial differential equations (PDEs) is of crucial importance in science and engineering, and it includes tasks ranging from forecasting to inverse problems, such as data assimilation. However, most previous numerical and machine…

Discriminative learning effectively predicts true object class for image classification. However, it often results in false positives for outliers, posing critical concerns in applications like autonomous driving and video surveillance…

Computer Vision and Pattern Recognition · Computer Science 2024-06-04 Masoud Taghikhah , Nishant Kumar , Siniša Šegvić , Abouzar Eslami , Stefan Gumhold

Score-based models generate samples by mapping noise to data (and vice versa) via a high-dimensional diffusion process. We question whether it is necessary to run this entire process at high dimensionality and incur all the inconveniences…

Machine Learning · Computer Science 2023-02-28 Bowen Jing , Gabriele Corso , Renato Berlinghieri , Tommi Jaakkola

Despite their advantages, normalizing flows generally suffer from several shortcomings including their tendency to generate unrealistic data (e.g., images) and their failing to detect out-of-distribution data. One reason for these…

Machine Learning · Statistics 2022-07-13 Florentin Coeurdoux , Nicolas Dobigeon , Pierre Chainais