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With the recent advances in machine learning for quantum chemistry, it is now possible to predict the chemical properties of compounds and to generate novel molecules. Existing generative models mostly use a string- or graph-based…

Biomolecules · Quantitative Biology 2020-10-14 Vitali Nesterov , Mario Wieser , Volker Roth

A promise of Generative Adversarial Networks (GANs) is to provide cheap photorealistic data for training and validating AI models in autonomous driving. Despite their huge success, their performance on complex images featuring multiple…

Computer Vision and Pattern Recognition · Computer Science 2023-05-17 George Eskandar , Youssef Farag , Tarun Yenamandra , Daniel Cremers , Karim Guirguis , Bin Yang

Neural generative models can be used to learn complex probability distributions from data, to sample from them, and to produce probability density estimates. We propose a computational framework for developing neural generative models…

Machine Learning · Computer Science 2022-01-06 Alexander Ororbia , Daniel Kifer

Generative modeling, which learns joint probability distribution from data and generates samples according to it, is an important task in machine learning and artificial intelligence. Inspired by probabilistic interpretation of quantum…

Statistical Mechanics · Physics 2018-07-20 Zhao-Yu Han , Jun Wang , Heng Fan , Lei Wang , Pan Zhang

Generative models such as diffusion models, excel at capturing high-dimensional distributions with diverse input modalities, e.g. robot trajectories, but are less effective at multi-step constraint reasoning. Task and Motion Planning (TAMP)…

Satellite imagery and remote sensing provide explanatory variables at relatively high resolutions for modeling geospatial phenomena, yet regional summaries are often desirable for analysis and actionable insight. In this paper, we propose a…

Machine Learning · Statistics 2017-12-15 Sam Kriegman , Marcin Szubert , Josh C. Bongard , Christian Skalka

Building a distributed spatial awareness within a swarm of locally sensing and communicating robots enables new swarm algorithms. We use local observations by robots of each other and Gaussian Belief Propagation message passing combined…

Robotics · Computer Science 2024-11-12 Simon Jones , Sabine Hauert

Deep generative models such as diffusion and flow matching are powerful machine learning tools capable of learning and sampling from high-dimensional distributions. They are particularly useful when the training data appears to be…

High Energy Physics - Phenomenology · Physics 2026-04-30 Zachary Bogorad , Ibrahim Elsharkawy , Yonatan Kahn , Andrew J. Larkoski , Noam Levi

Robot motion planning involves computing a sequence of valid robot configurations that take the robot from its initial state to a goal state. Solving a motion planning problem optimally using analytical methods is proven to be PSPACE-Hard.…

Robotics · Computer Science 2021-07-26 Naman Shah , Abhyudaya Srinet , Siddharth Srivastava

We study how to generate molecule conformations (i.e., 3D structures) from a molecular graph. Traditional methods, such as molecular dynamics, sample conformations via computationally expensive simulations. Recently, machine learning…

Machine Learning · Computer Science 2021-04-01 Minkai Xu , Shitong Luo , Yoshua Bengio , Jian Peng , Jian Tang

Exploration is a fundamental problem in robotics. While sampling-based planners have shown high performance, they are oftentimes compute intensive and can exhibit high variance. To this end, we propose to directly learn the underlying…

Robotics · Computer Science 2022-07-15 Lukas Schmid , Chao Ni , Yuliang Zhong , Roland Siegwart , Olov Andersson

The ability to predict future states of the environment is a central pillar of intelligence. At its core, effective prediction requires an internal model of the world and an understanding of the rules by which the world changes. Here, we…

Machine Learning · Computer Science 2016-01-21 William Lotter , Gabriel Kreiman , David Cox

Deep learning provides a powerful framework for automated acquisition of complex robotic motions. However, despite a certain degree of generalization, the need for vast amounts of training data depending on the work-object position is an…

Robotics · Computer Science 2021-03-03 Hideyuki Ichiwara , Hiroshi Ito , Kenjiro Yamamoto , Hiroki Mori , Tetsuya Ogata

We propose a general modeling and inference framework that composes probabilistic graphical models with deep learning methods and combines their respective strengths. Our model family augments graphical structure in latent variables with…

Machine Learning · Statistics 2017-07-10 Matthew J. Johnson , David Duvenaud , Alexander B. Wiltschko , Sandeep R. Datta , Ryan P. Adams

Building general-purpose robots to perform a diverse range of tasks in a large variety of environments in the physical world at the human level is extremely challenging. It requires the robot learning to be sample-efficient, generalizable,…

Robotics · Computer Science 2022-03-03 Jun Lv , Qiaojun Yu , Lin Shao , Wenhai Liu , Wenqiang Xu , Cewu Lu

Detection and segmentation of moving obstacles, along with prediction of the future occupancy states of the local environment, are essential for autonomous vehicles to proactively make safe and informed decisions. In this paper, we propose…

Robotics · Computer Science 2022-09-28 Maneekwan Toyungyernsub , Esen Yel , Jiachen Li , Mykel J. Kochenderfer

Multi-robot systems such as swarms of aerial robots are naturally suited to offer additional flexibility, resilience, and robustness in several tasks compared to a single robot by enabling cooperation among the agents. To enhance the…

Robotics · Computer Science 2022-01-25 Yang Zhou , Jiuhong Xiao , Yue Zhou , Giuseppe Loianno

In industrial environments, predicting human actions is essential for ensuring safe and effective collaboration between humans and robots. This paper introduces a perception framework that enables mobile robots to understand and share…

Robotics · Computer Science 2025-01-09 Ali Imran , Giovanni Beltrame , David St-Onge

Humans have an impressive ability to reason about new concepts and experiences from just a single example. In particular, humans have an ability for one-shot generalization: an ability to encounter a new concept, understand its structure,…

Machine Learning · Statistics 2016-05-26 Danilo Jimenez Rezende , Shakir Mohamed , Ivo Danihelka , Karol Gregor , Daan Wierstra

Score-based generative models can effectively learn the distribution of data by estimating the gradient of the distribution. Due to the multi-step denoising characteristic, researchers have recently considered combining score-based…

Machine Learning · Computer Science 2024-12-17 Changyuan Zhao , Hongyang Du , Guangyuan Liu , Dusit Niyato