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Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of…

Biomolecules · Quantitative Biology 2024-09-27 Bowen Jing , Hannes Stärk , Tommi Jaakkola , Bonnie Berger

Consider learning a generative model for time-series data. The sequential setting poses a unique challenge: Not only should the generator capture the conditional dynamics of (stepwise) transitions, but its open-loop rollouts should also…

Machine Learning · Statistics 2023-11-03 Daniel Jarrett , Ioana Bica , Mihaela van der Schaar

Is it possible to understand the intricacies of a dynamical system not solely from its input/output pattern, but also by observing the behavior of other systems within the same class? This central question drives the study presented in this…

Systems and Control · Electrical Eng. & Systems 2023-12-21 Marco Forgione , Filippo Pura , Dario Piga

Datasets with missing values are very common on industry applications, and they can have a negative impact on machine learning models. Recent studies introduced solutions to the problem of imputing missing values based on deep generative…

Machine Learning · Computer Science 2019-02-28 Ramiro D. Camino , Christian A. Hammerschmidt , Radu State

Generative models aim to learn the distribution of observed data by generating new instances. With the advent of neural networks, deep generative models, including variational autoencoders (VAEs), generative adversarial networks (GANs), and…

Computer Vision and Pattern Recognition · Computer Science 2023-08-29 Zifan Shi , Sida Peng , Yinghao Xu , Andreas Geiger , Yiyi Liao , Yujun Shen

Process simulation is gaining attention for its ability to assess potential performance improvements and risks associated with business process changes. The existing literature presents various techniques, generally grounded in process…

Artificial Intelligence · Computer Science 2024-06-26 Rafael S. Oyamada , Gabriel M. Tavares , Sylvio Barbon Junior , Paolo Ceravolo

Generative models are typically trained on grid-like data such as images. As a result, the size of these models usually scales directly with the underlying grid resolution. In this paper, we abandon discretized grids and instead…

Machine Learning · Computer Science 2022-02-18 Emilien Dupont , Yee Whye Teh , Arnaud Doucet

Learning models of user behaviour is an important problem that is broadly applicable across many application domains requiring human-robot interaction. In this work we show that it is possible to learn a generative model for distinct user…

Artificial Intelligence · Computer Science 2019-06-25 Daniel Angelov , Yordan Hristov , Subramanian Ramamoorthy

Mathematical models play an increasingly important role in the interpretation of biological experiments. Studies often present a model that generates the observations, connecting hypothesized process to an observed pattern. Such generative…

Populations and Evolution · Quantitative Biology 2014-06-18 Steven A. Frank

It is argued that deep learning is efficient for data that is generated from hierarchal generative models. Examples of such generative models include wavelet scattering networks, functions of compositional structure, and deep rendering…

Machine Learning · Computer Science 2018-09-06 Elchanan Mossel

Training deep learning models that generalize well to live deployment is a challenging problem in the financial markets. The challenge arises because of high dimensionality, limited observations, changing data distributions, and a low…

Statistical Finance · Quantitative Finance 2019-12-20 Brandon Da Silva , Sylvie Shang Shi

Process analytics is an umbrella of data-driven techniques which includes making predictions for individual process instances or overall process models. At the instance level, various novel techniques have been recently devised, tackling…

Machine Learning · Computer Science 2021-07-29 Johannes De Smedt , Anton Yeshchenko , Artem Polyvyanyy , Jochen De Weerdt , Jan Mendling

This paper presents a novel data-driven crowd simulation method that can mimic the observed traffic of pedestrians in a given environment. Given a set of observed trajectories, we use a recent form of neural networks, Generative Adversarial…

Graphics · Computer Science 2019-05-24 Javad Amirian , Wouter van Toll , Jean-Bernard Hayet , Julien Pettré

Graphs are important data representations for describing objects and their relationships, which appear in a wide diversity of real-world scenarios. As one of a critical problem in this area, graph generation considers learning the…

Machine Learning · Computer Science 2022-10-06 Xiaojie Guo , Liang Zhao

Multi-competitor races often feature complicated within-race strategies that are difficult to capture when training data on race outcome level data. Further, models which do not account for such strategic effects may suffer from confounded…

Methodology · Statistics 2024-03-08 Tyrel Stokes , Gurashish Bagga , Kimberly Kroetch , Brendan Kumagai , Liam Welsh

Modelling the complexity and diversity of human activity scheduling behaviour is inherently challenging. We demonstrate a deep conditional-generative machine learning approach for the modelling of realistic activity schedules depending on…

Machine Learning · Computer Science 2025-12-05 Fred Shone , Tim Hillel

Uncovering the mechanisms behind long-term memory is one of the most fascinating open problems in neuroscience and artificial intelligence. Artificial associative memory networks have been used to formalize important aspects of biological…

Machine Learning · Statistics 2023-11-20 Luca Ambrogioni

Point processes offer a versatile framework for sequential event modeling. However, the computational challenges and constrained representational power of the existing point process models have impeded their potential for wider…

Machine Learning · Statistics 2025-01-22 Zheng Dong , Zekai Fan , Shixiang Zhu

Learning, taking into account full distribution of the data, referred to as generative, is not feasible with deep neural networks (DNNs) because they model only the conditional distribution of the outputs given the inputs. Current solutions…

Machine Learning · Computer Science 2017-09-26 Boris Flach , Alexander Shekhovtsov , Ondrej Fikar

Learning and inference movement is a very challenging problem due to its high dimensionality and dependency to varied environments or tasks. In this paper, we propose an effective probabilistic method for learning and inference of basic…

Machine Learning · Computer Science 2018-10-30 Mingxuan Jing , Xiaojian Ma , Fuchun Sun , Huaping Liu