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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

Training robust supervised deep learning models for many geospatial applications of computer vision is difficult due to dearth of class-balanced and diverse training data. Conversely, obtaining enough training data for many applications is…

Computer Vision and Pattern Recognition · Computer Science 2020-12-09 Xuerong Xiao , Swetava Ganguli , Vipul Pandey

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

Scarcity of training data for task-oriented dialogue systems is a well known problem that is usually tackled with costly and time-consuming manual data annotation. An alternative solution is to rely on automatic text generation which,…

Computation and Language · Computer Science 2019-11-12 Stéphane d'Ascoli , Alice Coucke , Francesco Caltagirone , Alexandre Caulier , Marc Lelarge

Generating novel molecules with optimal properties is a crucial step in many industries such as drug discovery. Recently, deep generative models have shown a promising way of performing de-novo molecular design. Although graph generative…

Machine Learning · Computer Science 2018-11-27 Rim Assouel , Mohamed Ahmed , Marwin H Segler , Amir Saffari , Yoshua Bengio

Conditional Density Estimation (CDE) models deal with estimating conditional distributions. The conditions imposed on the distribution are the inputs of the model. CDE is a challenging task as there is a fundamental trade-off between model…

Machine Learning · Statistics 2018-10-31 Vincent Dutordoir , Hugh Salimbeni , Marc Deisenroth , James Hensman

Learning the underlying distribution of molecular graphs and generating high-fidelity samples is a fundamental research problem in drug discovery and material science. However, accurately modeling distribution and rapidly generating novel…

Machine Learning · Computer Science 2023-05-24 Han Huang , Leilei Sun , Bowen Du , Weifeng Lv

We propose Tree Variational Autoencoder (TreeVAE), a new generative hierarchical clustering model that learns a flexible tree-based posterior distribution over latent variables. TreeVAE hierarchically divides samples according to their…

Machine Learning · Computer Science 2023-11-20 Laura Manduchi , Moritz Vandenhirtz , Alain Ryser , Julia Vogt

Generative models that satisfy hard constraints are critical in many scientific and engineering applications, where physical laws or system requirements must be strictly respected. Many existing constrained generative models, especially…

Machine Learning · Computer Science 2025-03-05 Chaoran Cheng , Boran Han , Danielle C. Maddix , Abdul Fatir Ansari , Andrew Stuart , Michael W. Mahoney , Yuyang Wang

The application of deep learning to generative molecule design has shown early promise for accelerating lead series development. However, questions remain concerning how factors like training, dataset, and seed bias impact the technology's…

Biomolecules · Quantitative Biology 2021-09-06 Seung-gu Kang , Joseph A. Morrone , Jeffrey K. Weber , Wendy D. Cornell

Generative diffusions are a powerful class of Monte Carlo samplers that leverage bridging Markov processes to approximate complex, high-dimensional distributions, such as those found in image processing and language models. Despite their…

Machine Learning · Statistics 2025-02-20 Zheng Zhao , Ziwei Luo , Jens Sjölund , Thomas B. Schön

Time Series Generation (TSG) has emerged as a pivotal technique in synthesizing data that accurately mirrors real-world time series, becoming indispensable in numerous applications. Despite significant advancements in TSG, its efficacy…

Machine Learning · Computer Science 2024-03-07 Yifan Bao , Yihao Ang , Qiang Huang , Anthony K. H. Tung , Zhiyong Huang

Generative models for graph data are an important research topic in machine learning. Graph data comprise two levels that are typically analyzed separately: node-level properties such as the existence of a link between a pair of nodes, and…

Machine Learning · Computer Science 2023-01-18 Kiarash Zahirnia , Oliver Schulte , Parmis Naddaf , Ke Li

Graph generation generally aims to create new graphs that closely align with a specific graph distribution. Existing works often implicitly capture this distribution through the optimization of generators, potentially overlooking the…

Machine Learning · Computer Science 2024-07-19 Song Wang , Zhen Tan , Xinyu Zhao , Tianlong Chen , Huan Liu , Jundong Li

We present a novel, conditional generative probabilistic model of set-valued data with a tractable log density. This model is a continuous normalizing flow governed by permutation equivariant dynamics. These dynamics are driven by a…

We consider deep multivariate models for heterogeneous collections of random variables. In the context of computer vision, such collections may e.g. consist of images, segmentations, image attributes, and latent variables. When developing…

Machine Learning · Computer Science 2026-02-03 Dmitrij Schlesinger , Boris Flach , Alexander Shekhovtsov

Deep generative models have demonstrated great performance in image synthesis. However, results deteriorate in case of spatial deformations, since they generate images of objects directly, rather than modeling the intricate interplay of…

Computer Vision and Pattern Recognition · Computer Science 2018-04-16 Patrick Esser , Ekaterina Sutter , Björn Ommer

Deep learning based approaches have been utilized to model and generate graphs subjected to different distributions recently. However, they are typically unsupervised learning based and unconditioned generative models or simply conditioned…

Machine Learning · Computer Science 2023-08-29 Shanchao Yang , Jing Liu , Kai Wu , Mingming Li

Conditional discrete generative models struggle to faithfully compose multiple input conditions. To address this, we derive a theoretically-grounded formulation for composing discrete probabilistic generative processes, with masked…

Machine Learning · Computer Science 2026-04-08 Jamie Stirling , Noura Al-Moubayed , Chris G. Willcocks , Hubert P. H. Shum

Conditional discrete generative models struggle to faithfully compose multiple input conditions. To address this, we derive a theoretically-grounded formulation for composing discrete probabilistic generative processes, with masked…

Computer Vision and Pattern Recognition · Computer Science 2026-04-08 Jamie Stirling , Noura Al-Moubayed , Chris G. Willcocks , Hubert P. H. Shum
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