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Molecular dynamics simulations have emerged as a fundamental instrument for studying biomolecules. At the same time, it is desirable to perform simulations of a collection of particles under various conditions in which the molecules can…

Machine Learning · Computer Science 2023-10-11 Jingbang Chen , Yian Wang , Xingwei Qu , Shuangjia Zheng , Yaodong Yang , Hao Dong , Jie Fu

Extreme value analysis is an essential methodology in the study of rare and extreme events, which hold significant interest in various fields, particularly in the context of environmental sciences. Models that employ the exceedances of…

Methodology · Statistics 2025-07-16 Lorenzo Dell'Oro , Carlo Gaetan

Detecting rare events, those defined to give rise to high impact but have a low probability of occurring, is a challenge in a number of domains including meteorological, environmental, financial and economic. The use of machine learning to…

Applications · Statistics 2022-09-13 Santhosh Narayanan , Carsten Maple , Mark Hooper

We consider a time-inhomogeneous diffusion process able to describe the dynamics of infected people in a susceptible-infectious epidemic model in which the transmission intensity function is time-dependent. Such a model is well suited to…

Methodology · Statistics 2024-10-30 Giuseppina Albano , Virginia Giorno , Francisco Torres-Ruiz

A machine learning method to predict steady external fluid flows using elliptic input features is introduced. Using data from as few as one high-fidelity simulation, the proposed method produces models generalizable under changes to…

Continuous-time long-term event prediction plays an important role in many application scenarios. Most existing works rely on autoregressive frameworks to predict event sequences, which suffer from error accumulation, thus compromising…

Machine Learning · Computer Science 2023-11-03 Wang-Tao Zhou , Zhao Kang , Ling Tian

Neural Processes (NPs) are appealing due to their ability to perform fast adaptation based on a context set. This set is encoded by a latent variable, which is often assumed to follow a simple distribution. However, in real-word settings,…

Machine Learning · Computer Science 2023-06-28 Dharmesh Tailor , Mohammad Emtiyaz Khan , Eric Nalisnick

The goal of imitation learning is to mimic expert behavior from demonstrations, without access to an explicit reward signal. A popular class of approach infers the (unknown) reward function via inverse reinforcement learning (IRL) followed…

Machine Learning · Computer Science 2022-04-19 Carl Qi , Pieter Abbeel , Aditya Grover

Two fundamental problems in unsupervised learning are efficient inference for latent-variable models and robust density estimation based on large amounts of unlabeled data. Algorithms for the two tasks, such as normalizing flows and…

Machine Learning · Statistics 2018-08-02 Changyou Chen , Chunyuan Li , Liqun Chen , Wenlin Wang , Yunchen Pu , Lawrence Carin

In this study, we address causal inference when only observational data and a valid causal ordering from the causal graph are available. We introduce a set of flow models that can recover component-wise, invertible transformation of…

Machine Learning · Computer Science 2024-12-16 Minh Khoa Le , Kien Do , Truyen Tran

We introduce a framework for online changepoint detection and simultaneous model learning which is applicable to highly parametrized models, such as deep neural networks. It is based on detecting changepoints across time by sequentially…

Machine Learning · Computer Science 2020-10-08 Michalis K. Titsias , Jakub Sygnowski , Yutian Chen

Modeling long horizon marked event sequences is a fundamental challenge in many real-world applications, including healthcare, finance, and user behavior modeling. Existing neural temporal point process models are typically autoregressive,…

Machine Learning · Computer Science 2025-08-08 Xiao Shou

Prediction intervals are a machine- and human-interpretable way to represent predictive uncertainty in a regression analysis. In this paper, we present a method for generating prediction intervals along with point estimates from an ensemble…

Machine Learning · Statistics 2020-07-21 Tárik S. Salem , Helge Langseth , Heri Ramampiaro

Attaining prototypical features to represent class distributions is well established in representation learning. However, learning prototypes online from streaming data proves a challenging endeavor as they rapidly become outdated, caused…

Computer Vision and Pattern Recognition · Computer Science 2021-10-20 Matthias De Lange , Tinne Tuytelaars

The utility of learning a dynamics/world model of the environment in reinforcement learning has been shown in a many ways. When using neural networks, however, these models suffer catastrophic forgetting when learned in a lifelong or…

Machine Learning · Computer Science 2019-06-12 Nicholas Ketz , Soheil Kolouri , Praveen Pilly

We consider the problem of function estimation in the case where the data distribution may shift between training and test time, and additional information about it may be available at test time. This relates to popular scenarios such as…

Machine Learning · Statistics 2013-06-05 Bernhard Schölkopf , Dominik Janzing , Jonas Peters , Kun Zhang

Modeling complex conditional distributions is critical in a variety of settings. Despite a long tradition of research into conditional density estimation, current methods employ either simple parametric forms or are difficult to learn in…

Machine Learning · Statistics 2018-02-15 Brian L Trippe , Richard E Turner

The classical temporal point process (TPP) constructs an intensity function by taking the occurrence times into account. Nevertheless, occurrence time may not be the only relevant factor, other contextual data, termed covariates, may also…

Machine Learning · Computer Science 2024-07-24 Zizhuo Meng , Boyu Li , Xuhui Fan , Zhidong Li , Yang Wang , Fang Chen , Feng Zhou

Sequential models like recurrent neural networks and transformers have become standard for probabilistic multivariate time series forecasting across various domains. Despite their strengths, they struggle with capturing high-dimensional…

Machine Learning · Computer Science 2024-10-07 Yu Chen , Marin Biloš , Sarthak Mittal , Wei Deng , Kashif Rasul , Anderson Schneider

In many data-driven applications, collecting data from different sources is increasingly desirable for enhancing performance. In this paper, we are interested in the problem of probabilistic forecasting with multi-source time series. We…

Machine Learning · Computer Science 2023-02-23 Tian Guo
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