Multi-objective Deep Data Generation with Correlated Property Control
Shiyu Wang, Xiaojie Guo, Xuanyang Lin, Bo Pan, Yuanqi Du, Yinkai Wang, Yanfang Ye, Ashley Ann Petersen, Austin Leitgeb, Saleh AlKhalifa, Kevin Minbiole, William M. Wuest
摘要
Developing deep generative models has been an emerging field due to the ability to model and generate complex data for various purposes, such as image synthesis and molecular design. However, the advancement of deep generative models is limited by challenges to generate objects that possess multiple desired properties: 1) the existence of complex correlation among real-world properties is common but hard to identify; 2) controlling individual property enforces an implicit partially control of its correlated properties, which is difficult to model; 3) controlling multiple properties under various manners simultaneously is hard and under-explored. We address these challenges by proposing a novel deep generative framework, CorrVAE, that recovers semantics and the correlation of properties through disentangled latent vectors. The correlation is handled via an explainable mask pooling layer, and properties are precisely retained by generated objects via the mutual dependence between latent vectors and properties. Our generative model preserves properties of interest while handling correlation and conflicts of properties under a multi-objective optimization framework. The experiments demonstrate our model's superior performance in generating data with desired properties. The code of CorrVAE is available at https://github.com/shi-yu-wang/CorrVAE .
问问这篇 Paper
智能体会读完全文。
Lune 把这篇 Paper 索引到了每一个公式,引用它的顶会 Paper 也一样。你提问,回答直接引用原文。
引用它的顶会 Paper3
- Deep Generative Model for Periodic GraphsShiyu Wang, Xiaojie Guo, Liang ZhaoNeurIPS 2022 · 被引用 35 次
- R-Mixup: Riemannian Mixup for Biological NetworksXuan Kan, Zimu Li, Hejie Cui, Yue Yu 等KDD 2023 · 被引用 5 次
- ParetoFlow: Guided Flows in Multi-Objective OptimizationYe Yuan, Can Chen, Christopher Pal, Xue LiuICLR 2025
它引用的顶会 Paper11
- GraphAF: a Flow-based Autoregressive Model for Molecular Graph GenerationChence Shi, Minkai Xu, Zhaocheng Zhu, Weinan Zhang 等ICLR 2020 · 被引用 532 次
- Multi-Objective Molecule Generation using Interpretable SubstructuresWengong Jin, Regina Barzilay, Tommi S. JaakkolaICML 2020 · 被引用 238 次
- Controlling generative models with continuous factors of variationsAntoine Plumerault, Hervé Le Borgne, Céline HudelotICLR 2020 · 被引用 132 次
- Deep Generative Model for Periodic GraphsShiyu Wang, Xiaojie Guo, Liang ZhaoNeurIPS 2022 · 被引用 35 次
- Property Controllable Variational Autoencoder via Invertible Mutual DependenceXiaojie Guo, Yuanqi Du, Liang ZhaoICLR 2021 · 被引用 30 次
相关 Paper
- CAD-VAE: Leveraging Correlation-Aware Latents for Comprehensive Fair DisentanglementChenrui Ma, Xi Xiao, Tianyang Wang, Xiao Wang 等AAAI 2026 · 被引用 9 次
- Unsupervised Robust Disentangling of Latent Characteristics for Image SynthesisPatrick Esser, Johannes Haux, Björn OmmerICCV 2019 · 被引用 40 次
- PluGeN: Multi-Label Conditional Generation from Pre-trained ModelsMaciej Wolczyk, Magdalena Proszewska, Lukasz Maziarka, Maciej Zieba 等AAAI 2022 · 被引用 8 次
- 3DLinker: An E(3) Equivariant Variational Autoencoder for Molecular Linker DesignYinan Huang, Xingang Peng, Jianzhu Ma, Muhan ZhangICML 2022 · 被引用 65 次
- Navigating Chemical Space with Latent FlowsGuanghao Wei, Yining Huang, Chenru Duan, Yue Song 等NeurIPS 2024 · 被引用 8 次
