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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

Many recent generative models make use of neural networks to transform the probability distribution of a simple low-dimensional noise process into the complex distribution of the data. This raises the question of whether biological networks…

Neural and Evolutionary Computing · Computer Science 2018-02-07 Hesham Mostafa , Gert Cauwenberghs

Deep generative models provide a systematic way to learn nonlinear data distributions, through a set of latent variables and a nonlinear "generator" function that maps latent points into the input space. The nonlinearity of the generator…

Machine Learning · Statistics 2021-12-14 Georgios Arvanitidis , Lars Kai Hansen , Søren Hauberg

Despite the advancements in 3D full-shape generation, accurately modeling complex geometries and semantics of shape parts remains a significant challenge, particularly for shapes with varying numbers of parts. Current methods struggle to…

Computer Vision and Pattern Recognition · Computer Science 2025-04-08 Lei Cheng , Mahdi Saleh , Qing Cheng , Lu Sang , Hongli Xu , Daniel Cremers , Federico Tombari

Population structure can have a significant effect on evolution. For some systems with sufficient symmetry, analytic results can be derived within the mathematical framework of evolutionary graph theory which relate to the outcome of the…

Populations and Evolution · Quantitative Biology 2019-03-11 Christopher E. Overton , Mark Broom , Christoforos Hadjichrysanthou , Kieran J. Sharkey

We made a first attempt to associate a probabilistic description of stochastic processes like birth-death processes with spacetime geometry in the Schwarzschild metrics on distance scales from the macro- to the micro-domains. We idealize an…

Data Analysis, Statistics and Probability · Physics 2009-11-13 E. Canessa

Past approaches for statistical shape analysis of objects have focused mainly on objects within the same topological classes, e.g., scalar functions, Euclidean curves, or surfaces, etc. For objects that differ in more complex ways, the…

Computer Vision and Pattern Recognition · Computer Science 2020-05-18 Xiaoyang Guo , Anuj Srivastava

We propose the Variational Shape Learner (VSL), a generative model that learns the underlying structure of voxelized 3D shapes in an unsupervised fashion. Through the use of skip-connections, our model can successfully learn and infer a…

Computer Vision and Pattern Recognition · Computer Science 2018-08-07 Shikun Liu , C. Lee Giles , Alexander G. Ororbia

We provide a novel approach to construct generative models for graphs. Instead of using the traditional probabilistic models or deep generative models, we propose to instead find an algorithm that generates the data. We achieve this using…

Machine Learning · Computer Science 2023-04-26 Mihai Babiac , Karolis Martinkus , Roger Wattenhofer

This paper presents a novel approach to generating the 3D motion of a human interacting with a target object, with a focus on solving the challenge of synthesizing long-range and diverse motions, which could not be fulfilled by existing…

Computer Vision and Pattern Recognition · Computer Science 2023-10-04 Huaijin Pi , Sida Peng , Minghui Yang , Xiaowei Zhou , Hujun Bao

With the incredible results achieved from generative pre-trained transformers (GPT) and diffusion models, generative AI (GenAI) is envisioned to yield remarkable breakthroughs in various industrial and academic domains. In this paper, we…

Information Theory · Computer Science 2023-09-19 Mehdi Letafati , Samad Ali , Matti Latva-aho

Complex structures are typical in machine learning. Tailoring learning algorithms for every structure requires an effort that may be saved by defining a generic learning procedure adaptive to any complex structure. In this paper, we propose…

Machine Learning · Computer Science 2019-05-28 Pablo Strasser , Stephane Armand , Stephane Marchand-Maillet , Alexandros Kalousis

Learning parameters from voluminous data can be prohibitive in terms of memory and computational requirements. We propose a "compressive learning" framework where we estimate model parameters from a sketch of the training data. This sketch…

Machine Learning · Computer Science 2017-05-08 Nicolas Keriven , Anthony Bourrier , Rémi Gribonval , Patrick Pérez

The Gaussian process (GP) is a nonparametric prior distribution over functions indexed by time, space, or other high-dimensional index set. The GP is a flexible model yet its limitation is given by its very nature: it can only model…

Machine Learning · Statistics 2019-07-15 Gonzalo Rios , Felipe Tobar

Compositional structures between parts and objects are inherent in natural scenes. Modeling such compositional hierarchies via unsupervised learning can bring various benefits such as interpretability and transferability, which are…

Machine Learning · Computer Science 2019-10-22 Fei Deng , Zhuo Zhi , Sungjin Ahn

We present the first image-based generative model of people in clothing for the full body. We sidestep the commonly used complex graphics rendering pipeline and the need for high-quality 3D scans of dressed people. Instead, we learn…

Computer Vision and Pattern Recognition · Computer Science 2017-08-01 Christoph Lassner , Gerard Pons-Moll , Peter V. Gehler

After collecting data from observations or experiments, the next step is to build an appropriate mathematical or stochastic model to describe the data so that further studies can be done with the help of the models. In this article, the…

Data Analysis, Statistics and Probability · Physics 2023-07-19 A. M. Mathai , H. J. Haubold

This work considers the problem of learning the structure of multivariate linear tree models, which include a variety of directed tree graphical models with continuous, discrete, and mixed latent variables such as linear-Gaussian models,…

Machine Learning · Computer Science 2011-11-09 Animashree Anandkumar , Kamalika Chaudhuri , Daniel Hsu , Sham M. Kakade , Le Song , Tong Zhang

We introduce Generator Matching, a modality-agnostic framework for generative modeling using arbitrary Markov processes. Generators characterize the infinitesimal evolution of a Markov process, which we leverage for generative modeling in a…

Machine Learning · Computer Science 2025-02-28 Peter Holderrieth , Marton Havasi , Jason Yim , Neta Shaul , Itai Gat , Tommi Jaakkola , Brian Karrer , Ricky T. Q. Chen , Yaron Lipman

This paper considers the problem of randomized influence maximization over a Markovian graph process: given a fixed set of nodes whose connectivity graph is evolving as a Markov chain, estimate the probability distribution (over this fixed…

Social and Information Networks · Computer Science 2017-11-10 Buddhika Nettasinghe , Vikram Krishnamurthy