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De novo crystal generation, a central task in materials discovery, aims to generate crystals that are simultaneously valid, stable, unique, and novel. Existing methods mainly rely on black-box stochastic sampling, providing limited control…

In recent years, optimization in the learned latent space of deep generative models has been successfully applied to black-box optimization problems such as drug design, image generation or neural architecture search. Existing models…

Computer Vision and Pattern Recognition · Computer Science 2023-06-13 Steffen Jung , Jan Christian Schwedhelm , Claudia Schillings , Margret Keuper

Personalized image generative models are highly proficient at synthesizing images from text or a single image, yet they lack explicit control for composing objects from specific parts of multiple source images without user specified masks…

Computer Vision and Pattern Recognition · Computer Science 2025-10-23 Shivam Singh , Yiming Chen , Agneet Chatterjee , Amit Raj , James Hays , Yezhou Yang , Chitta Baral

Population protocols are a model of distributed computation intended for the study of networks of independent computing agents with dynamic communication structure. Each agent has a finite number of states, and communication opportunities…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-02-19 Mikhail Raskin

Recent advancements in generative models have revolutionized the field of artificial intelligence, enabling the creation of highly-realistic and detailed images. In this study, we propose a novel Mask Conditional Text-to-Image Generative…

Computer Vision and Pattern Recognition · Computer Science 2024-10-02 Rami Skaik , Leonardo Rossi , Tomaso Fontanini , Andrea Prati

Energy-based models (EBMs) are a powerful class of probabilistic generative models due to their flexibility and interpretability. However, relationships between potential flows and explicit EBMs remain underexplored, while contrastive…

Automatically reasoning about future human behaviors is a difficult problem but has significant practical applications to assistive systems. Part of this difficulty stems from learning systems' inability to represent all kinds of behaviors.…

Computer Vision and Pattern Recognition · Computer Science 2020-04-07 Jiaqi Guan , Ye Yuan , Kris M. Kitani , Nicholas Rhinehart

Generation of molecules with desired chemical and biological properties such as high drug-likeness, high binding affinity to target proteins, is critical for drug discovery. In this paper, we propose a probabilistic generative model to…

Biomolecules · Quantitative Biology 2023-07-12 Deqian Kong , Bo Pang , Tian Han , Ying Nian Wu

Learning how to model complex scenes in a modular way with recombinable components is a pre-requisite for higher-order reasoning and acting in the physical world. However, current generative models lack the ability to capture the inherently…

Machine Learning · Statistics 2020-04-28 Julius von Kügelgen , Ivan Ustyuzhaninov , Peter Gehler , Matthias Bethge , Bernhard Schölkopf

Recently, emotional talking face generation has received considerable attention. However, existing methods only adopt one-hot coding, image, or audio as emotion conditions, thus lacking flexible control in practical applications and failing…

Computer Vision and Pattern Recognition · Computer Science 2023-06-01 Chao Xu , Junwei Zhu , Jiangning Zhang , Yue Han , Wenqing Chu , Ying Tai , Chengjie Wang , Zhifeng Xie , Yong Liu

Structured output representation is a generative task explored in computer vision that often times requires the mapping of low dimensional features to high dimensional structured outputs. Losses in complex spatial information in…

Computer Vision and Pattern Recognition · Computer Science 2025-02-25 Mohamed Debbagh

The ability to learn and compose functions is foundational to efficient learning and reasoning in humans, enabling flexible generalizations such as creating new dishes from known cooking processes. Beyond sequential chaining of functions,…

Artificial Intelligence · Computer Science 2024-03-20 Yanli Zhou , Brenden M. Lake , Adina Williams

Motivated by the recent progress in generative models, we introduce a model that generates images from natural language descriptions. The proposed model iteratively draws patches on a canvas, while attending to the relevant words in the…

Machine Learning · Computer Science 2016-03-01 Elman Mansimov , Emilio Parisotto , Jimmy Lei Ba , Ruslan Salakhutdinov

Generating high fidelity identity-preserving faces with different facial attributes has a wide range of applications. Although a number of generative models have been developed to tackle this problem, there is still much room for further…

Computer Vision and Pattern Recognition · Computer Science 2021-11-08 Dan Ma , Bin Liu , Zhao Kang , Jiayu Zhou , Jianke Zhu , Zenglin Xu

Protein dynamics play a crucial role in protein biological functions and properties, and their traditional study typically relies on time-consuming molecular dynamics (MD) simulations conducted in silico. Recent advances in generative…

Biomolecules · Quantitative Biology 2025-06-02 Jiarui Lu , Xiaoyin Chen , Stephen Zhewen Lu , Aurélie Lozano , Vijil Chenthamarakshan , Payel Das , Jian Tang

Probability density estimation is a classical and well studied problem, but standard density estimation methods have historically lacked the power to model complex and high-dimensional image distributions. More recent generative models…

Machine Learning · Computer Science 2019-02-27 Ryen Krusinga , Sohil Shah , Matthias Zwicker , Tom Goldstein , David Jacobs

We demonstrate in this paper that a generative model can be designed to perform classification tasks under challenging settings, including adversarial attacks and input distribution shifts. Specifically, we propose a conditional variational…

Computer Vision and Pattern Recognition · Computer Science 2019-02-12 Houpu Yao , Malcolm Regan , Yezhou Yang , Yi Ren

The categorical compositional approach to meaning has been successfully applied in natural language processing, outperforming other models in mainstream empirical language processing tasks. We show how this approach can be generalized to…

Logic in Computer Science · Computer Science 2017-10-02 Joe Bolt , Bob Coecke , Fabrizio Genovese , Martha Lewis , Dan Marsden , Robin Piedeleu

Disentangled representation learning finds compact, independent and easy-to-interpret factors of the data. Learning such has been shown to require an inductive bias, which we explicitly encode in a generative model of images. Specifically,…

Computer Vision and Pattern Recognition · Computer Science 2019-11-14 Nicki Skafte Detlefsen , Søren Hauberg

Probabilistic programming is related to a compositional approach to stochastic modeling by switching from discrete to continuous time dynamics. In continuous time, an operator-algebra semantics is available in which processes proceeding in…

Artificial Intelligence · Computer Science 2012-12-05 Eric Mjolsness