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The underlying geometrical structure of the latent space in deep generative models is in most cases not Euclidean, which may lead to biases when comparing interpolation capabilities of two models. Smoothness and plausibility of linear…

Machine Learning · Computer Science 2021-05-11 Mike Yan Michelis , Quentin Becker

Deep generative models have emerged as a powerful tool for learning useful molecular representations and designing novel molecules with desired properties, with applications in drug discovery and material design. However, most existing deep…

In recent years, several models have improved the capacity to generate synthetic tabular datasets. However, such models focus on synthesizing simple columnar tables and are not useable on real-life data with complex structures. This paper…

Machine Learning · Computer Science 2022-02-07 Luca Canale , Nicolas Grislain , Grégoire Lothe , Johan Leduc

Neural language models are a powerful tool to embed words into semantic vector spaces. However, learning such models generally relies on the availability of abundant and diverse training examples. In highly specialised domains this…

Computation and Language · Computer Science 2015-12-04 Stephanie L. Hyland , Theofanis Karaletsos , Gunnar Rätsch

In addition to the forward inference of materials properties using machine learning, generative deep learning techniques applied on materials science allow the inverse design of materials, i.e., assessing the…

Materials Science · Physics 2024-10-01 Teng Long , Yixuan Zhang , Hongbin Zhang

Recent deep learning based approaches have shown promising results for the challenging task of inpainting large missing regions in an image. These methods can generate visually plausible image structures and textures, but often create…

Computer Vision and Pattern Recognition · Computer Science 2018-03-23 Jiahui Yu , Zhe Lin , Jimei Yang , Xiaohui Shen , Xin Lu , Thomas S. Huang

Compositional representations are thought to enable humans to generalize across combinatorially vast state spaces. Models with learnable object slots, which encode information about objects in separate latent codes, have shown promise for…

Machine Learning · Computer Science 2024-10-08 Tankred Saanum , Luca M. Schulze Buschoff , Peter Dayan , Eric Schulz

In recent years, deep learning has been at the center of analytics due to its impressive empirical success in analyzing complex data objects. Despite this success, most of the existing tools behave like black-box machines, thus the…

Machine Learning · Statistics 2022-11-02 Arkaprabha Ganguli , David Todem , Tapabrata Maiti

Generating a novel and optimized molecule with desired chemical properties is an essential part of the drug discovery process. Failure to meet one of the required properties can frequently lead to failure in a clinical test which is costly.…

Machine Learning · Computer Science 2020-10-28 Bonggun Shin , Sungsoo Park , JinYeong Bak , Joyce C. Ho

Neural models learn representations of high-dimensional data on low-dimensional manifolds. Multiple factors, including stochasticities in the training process, model architectures, and additional inductive biases, may induce different…

Machine Learning · Computer Science 2025-12-02 Hanlin Yu , Berfin Inal , Georgios Arvanitidis , Soren Hauberg , Francesco Locatello , Marco Fumero

We consider multi-solution optimization and generative models for the generation of diverse artifacts and the discovery of novel solutions. In cases where the domain's factors of variation are unknown or too complex to encode manually,…

Machine Learning · Computer Science 2021-05-11 Alexander Hagg , Sebastian Berns , Alexander Asteroth , Simon Colton , Thomas Bäck

In recent years there has been increased interest in understanding the interplay between deep generative models (DGMs) and the manifold hypothesis. Research in this area focuses on understanding the reasons why commonly-used DGMs succeed or…

Machine Learning · Computer Science 2024-09-27 Gabriel Loaiza-Ganem , Brendan Leigh Ross , Rasa Hosseinzadeh , Anthony L. Caterini , Jesse C. Cresswell

We seek to give users precise control over diffusion-based image generation by modeling complex scenes as sequences of layers, which define the desired spatial arrangement and visual attributes of objects in the scene. Collage Diffusion…

Computer Vision and Pattern Recognition · Computer Science 2023-09-01 Vishnu Sarukkai , Linden Li , Arden Ma , Christopher Ré , Kayvon Fatahalian

Complex, multivariable systems are often analyzed by grouping their constituent units into components, sometimes referred to as latent features, which afford physical or biological interpretation. However, a priori many different types of…

Disordered Systems and Neural Networks · Physics 2026-05-01 Philipp Fleig , Ilya Nemenman

Disentangled representation learning has recently attracted a significant amount of attention, particularly in the field of image representation learning. However, learning the disentangled representations behind a graph remains largely…

Machine Learning · Computer Science 2020-06-11 Xiaojie Guo , Liang Zhao , Zhao Qin , Lingfei Wu , Amarda Shehu , Yanfang Ye

The growing proliferation of customized and pretrained generative models has made it infeasible for a user to be fully cognizant of every model in existence. To address this need, we introduce the task of content-based model search: given a…

Computer Vision and Pattern Recognition · Computer Science 2023-10-25 Daohan Lu , Sheng-Yu Wang , Nupur Kumari , Rohan Agarwal , Mia Tang , David Bau , Jun-Yan Zhu

This paper presents a novel decoder-based approach for generating manufacturable 3D structures optimized for additive manufacturing. We introduce a deep learning framework that decodes latent representations into geometrically valid,…

Computer Vision and Pattern Recognition · Computer Science 2026-01-14 Abhishek Kumar

Controllable painting generation plays a pivotal role in image stylization. Currently, the control way of style transfer is subject to exemplar-based reference or a random one-hot vector guidance. Few works focus on decoupling the intrinsic…

Computer Vision and Pattern Recognition · Computer Science 2020-02-27 Minxuan Lin , Yingying Deng , Fan Tang , Weiming Dong , Changsheng Xu

A generative Bayesian model is developed for deep (multi-layer) convolutional dictionary learning. A novel probabilistic pooling operation is integrated into the deep model, yielding efficient bottom-up and top-down probabilistic learning.…

Machine Learning · Statistics 2015-02-24 Yunchen Pu , Xin Yuan , Lawrence Carin

Although generative models hold promise for discovering molecules with optimized desired properties, they often fail to suggest synthesizable molecules that improve upon the known molecules seen in training. We find that a key limitation is…

Machine Learning · Computer Science 2025-01-07 Evan R. Antoniuk , Peggy Li , Nathan Keilbart , Stephen Weitzner , Bhavya Kailkhura , Anna M. Hiszpanski