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We combine replica exchange (parallel tempering) with normalizing flows, a class of deep generative models. These two sampling strategies complement each other, resulting in an efficient strategy for sampling molecular systems characterized…

Computational Physics · Physics 2022-12-14 Michele Invernizzi , Andreas Krämer , Cecilia Clementi , Frank Noé

To learn a semantic parser from denotations, a learning algorithm must search over a combinatorially large space of logical forms for ones consistent with the annotated denotations. We propose a new online learning algorithm that searches…

Computation and Language · Computer Science 2017-09-04 Yuchen Zhang , Panupong Pasupat , Percy Liang

In this work, we propose a new family of generative flows on an augmented data space, with an aim to improve expressivity without drastically increasing the computational cost of sampling and evaluation of a lower bound on the likelihood.…

Machine Learning · Computer Science 2020-02-19 Chin-Wei Huang , Laurent Dinh , Aaron Courville

Existing machine learning methods for causal inference usually estimate quantities expressed via the mean of potential outcomes (e.g., average treatment effect). However, such quantities do not capture the full information about the…

Machine Learning · Computer Science 2023-06-21 Valentyn Melnychuk , Dennis Frauen , Stefan Feuerriegel

Flow-based deep generative models learn data distributions by transforming a simple base distribution into a complex distribution via a set of invertible transformations. Due to the invertibility, such models can score unseen data samples…

Machine Learning · Computer Science 2019-06-18 Maximilian Schmidt , Marko Simic

Human engagement in narrative is partially driven by reasoning about discourse relations between narrative events, and the expectations about what is likely to happen next that results from such reasoning. Researchers in NLP have tackled…

Computation and Language · Computer Science 2017-09-01 Zhichao Hu , Elahe Rahimtoroghi , Larissa Munishkina , Reid Swanson , Marilyn A. Walker

Simulation-free training frameworks have been at the forefront of the generative modelling revolution in continuous spaces, leading to large-scale diffusion and flow matching models. However, such modern generative models suffer from…

Machine Learning · Computer Science 2025-10-31 Danyal Rehman , Oscar Davis , Jiarui Lu , Jian Tang , Michael Bronstein , Yoshua Bengio , Alexander Tong , Avishek Joey Bose

Learning and compression are driven by the common aim of identifying and exploiting statistical regularities in data, which opens the door for fertile collaboration between these areas. A promising group of compression techniques for…

Machine Learning · Computer Science 2021-02-02 Fernando E. Rosas , Pedro A. M. Mediano , Michael Gastpar

Temporal graph representation learning has drawn significant attention for the prevalence of temporal graphs in the real world. However, most existing works resort to taking discrete snapshots of the temporal graph, or are not inductive to…

Social and Information Networks · Computer Science 2022-03-29 Zhihao Wen , Yuan Fang

Neural networks are very effective when trained on large datasets for a large number of iterations. However, when they are trained on non-stationary streams of data and in an online fashion, their performance is reduced (1) by the online…

Machine Learning · Computer Science 2023-07-04 Albin Soutif--Cormerais , Antonio Carta , Joost Van de Weijer

Continual learning requires the model to maintain the learned knowledge while learning from a non-i.i.d data stream continually. Due to the single-pass training setting, online continual learning is very challenging, but it is closer to the…

Machine Learning · Computer Science 2022-05-20 Gehui Shen , Shibo Jie , Ziheng Li , Zhi-Hong Deng

Normalizing flows are a popular class of models for approximating probability distributions. However, their invertible nature limits their ability to model target distributions whose support have a complex topological structure, such as…

Machine Learning · Statistics 2022-02-25 Vincent Stimper , Bernhard Schölkopf , José Miguel Hernández-Lobato

Deep generative models with tractable and analytically computable likelihoods, exemplified by normalizing flows, offer an effective basis for anomaly detection through likelihood-based scoring. We demonstrate that, unlike in the image…

Machine Learning · Computer Science 2026-02-11 Donghwan Kim , Junghun Phee , Hyunsoo Yoon

Batch training of machine learning models based on neural networks is now well established, whereas to date streaming methods are largely based on linear models. To go beyond linear in the online setting, nonparametric methods are of…

Signal Processing · Electrical Eng. & Systems 2020-01-22 Alec Koppel , Amrit Singh Bedi , Ketan Rajawat , Brian M. Sadler

Leveraging the recently emerging geometric approach to multivariate extremes and the flexibility of normalising flows on the hypersphere, we propose a principled deep-learning-based methodology that enables accurate joint tail extrapolation…

Methodology · Statistics 2025-05-07 Lambert De Monte , Raphaël Huser , Ioannis Papastathopoulos , Jordan Richards

We use machine learning (ML) to infer stress and plastic flow rules using data from repre- sentative polycrystalline simulations. In particular, we use so-called deep (multilayer) neural networks (NN) to represent the two response…

Computational Physics · Physics 2018-09-05 Reese E. Jones , Jeremy A. Templeton , Clay M. Sanders , Jakob T. Ostien

Applications that generate huge amounts of data in the form of fast streams are becoming increasingly prevalent, being therefore necessary to learn in an online manner. These conditions usually impose memory and processing time…

Neural and Evolutionary Computing · Computer Science 2019-08-22 Jesus L. Lobo , Javier Del Ser , Albert Bifet , Nikola Kasabov

A continual learning agent should be able to build on top of existing knowledge to learn on new data quickly while minimizing forgetting. Current intelligent systems based on neural network function approximators arguably do the…

Machine Learning · Computer Science 2019-11-01 Khurram Javed , Martha White

The choice of optimal event variables is crucial for achieving the maximal sensitivity of experimental analyses. Over time, physicists have derived suitable kinematic variables for many typical event topologies in collider physics. Here we…

High Energy Physics - Phenomenology · Physics 2021-05-24 Doojin Kim , Kyoungchul Kong , Konstantin T. Matchev , Myeonghun Park , Prasanth Shyamsundar

Flow models have rapidly become the go-to method for training and deploying large-scale generators, owing their success to inference-time flexibility via adjustable integration steps. A crucial ingredient in flow training is the choice of…

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