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The use of machine learning algorithms to predict behaviors of complex systems is booming. However, the key to an effective use of machine learning tools in multi-physics problems, including combustion, is to couple them to physical and…

Motion planning with constraints is an important part of many real-world robotic systems. In this work, we study manifold learning methods to learn such constraints from data. We explore two methods for learning implicit constraint…

Finding proper collective variables for complex systems and processes is one of the most challenging tasks in simulations, which limits the interpretation of experimental and simulated data and the application of enhanced sampling…

Graphs are ubiquitous data structures for representing interactions between entities. With an emphasis on the use of graphs to represent chemical molecules, we explore the task of learning to generate graphs that conform to a distribution…

Machine Learning · Computer Science 2019-03-08 Qi Liu , Miltiadis Allamanis , Marc Brockschmidt , Alexander L. Gaunt

Autonomous driving has a natural bi-level structure. The goal of the upper behavioural layer is to provide appropriate lane change, speeding up, and braking decisions to optimize a given driving task. However, this layer can only indirectly…

Robotics · Computer Science 2022-12-06 Arun Kumar Singh , Jatan Shrestha , Nicola Albarella

In addition to translational and rotational symmetries, clusters of identical interacting particles possess permutational symmetry. Coarse-grained models for such systems are instrumental in identifying metastable states, providing an…

Chemical Physics · Physics 2025-07-02 Jiaxin Yuan , Shashank Sule , Yeuk Yin Lam , Maria Cameron

Learning compressed representations of multivariate time series (MTS) facilitates data analysis in the presence of noise and redundant information, and for a large number of variates and time steps. However, classical dimensionality…

Neural and Evolutionary Computing · Computer Science 2019-07-17 Filippo Maria Bianchi , Lorenzo Livi , Karl Øyvind Mikalsen , Michael Kampffmeyer , Robert Jenssen

Computing accurate reaction rates is a central challenge in computational chemistry and biology because of the high cost of free energy estimation with unbiased molecular dynamics. In this work, a data-driven machine learning algorithm is…

Computational Physics · Physics 2020-12-08 Lixin Sun , Jonathan Vandermause , Simon Batzner , Yu Xie , David Clark , Wei Chen , Boris Kozinsky

Modern machine learning often relies on optimizing a neural network's parameters using a loss function to learn complex features. Beyond training, examining the loss function with respect to a network's parameters (i.e., as a loss…

The problem of estimating event truths from conflicting agent opinions in a social network is investigated. An autoencoder learns the complex relationships between event truths, agent reliabilities and agent observations. A Bayesian network…

Machine Learning · Computer Science 2021-01-26 Jielong Yang , Wee Peng Tay

This work studies the problem of modeling visual processes by leveraging deep generative architectures for learning linear, Gaussian representations from observed sequences. We propose a joint learning framework, combining a vector…

Neural and Evolutionary Computing · Computer Science 2020-04-13 Alexander Sagel , Hao Shen

Tensor networks were developed in the context of many-body physics as compressed representations of multiparticle quantum states. These representations mitigate the exponential complexity of many-body systems by capturing only the most…

Machine Learning · Computer Science 2026-04-17 Guillermo Valverde , Igor García-Olaizola , Giannicola Scarpa , Alejandro Pozas-Kerstjens

In this short paper, a neural network that is able to form a low dimensional topological hidden representation is explained. The neural network can be trained as an autoencoder, a classifier or mix of both, and produces different low…

Machine Learning · Computer Science 2020-06-16 Pitoyo Hartono

In recent years, machine learning methods have been used to assist scientists in scientific research. Human scientific theories are based on a series of concepts. How machine learns the concepts from experimental data will be an important…

Machine Learning · Computer Science 2022-05-12 Ruyu Yang

We extend variational autoencoders (VAEs) to collaborative filtering for implicit feedback. This non-linear probabilistic model enables us to go beyond the limited modeling capacity of linear factor models which still largely dominate…

Machine Learning · Statistics 2018-02-19 Dawen Liang , Rahul G. Krishnan , Matthew D. Hoffman , Tony Jebara

Evolution has resulted in highly developed abilities in many natural intelligences to quickly and accurately predict mechanical phenomena. Humans have successfully developed laws of physics to abstract and model such mechanical phenomena.…

Artificial Intelligence · Computer Science 2017-03-02 Sebastien Ehrhardt , Aron Monszpart , Niloy J. Mitra , Andrea Vedaldi

We use autoencoders to create low-dimensional embeddings of underlying patient phenotypes that we hypothesize are a governing factor in determining how different patients will react to different interventions. We compare the performance of…

Machine Learning · Computer Science 2017-03-22 Harini Suresh , Peter Szolovits , Marzyeh Ghassemi

We employ deep learning techniques to investigate the critical properties of the continuous phase transition in the majority vote model. In addition to deep learning, principal component analysis is utilized to analyze the transition. For…

We propose a novel framework for enhancing robotic adaptability and learning efficiency, which integrates unsupervised trajectory segmentation with adaptive probabilistic movement primitives (ProMPs). By employing a cutting-edge deep…

Robotics · Computer Science 2024-05-01 Tianci Gao

Multi-modal learning relates information across observation modalities of the same physical phenomenon to leverage complementary information. Most multi-modal machine learning methods require that all the modalities used for training are…

Machine Learning · Computer Science 2021-03-10 Vandana Rajan , Alessio Brutti , Andrea Cavallaro