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
Abstract
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 .
Ask about this paper
Your agent reads all of it.
Lune indexed this paper to the last equation, along with the top-tier papers that cite it. Ask a question and the answer quotes them.
Your agent calls
Luneget_paper_fulltext
Free to start. No credit card required.
Terminal
Install the CLIlune papers fulltext 699fbe5c-5f9b-4c5c-a054-ea56500ba56aCited by top-tier papers3
- Deep Generative Model for Periodic GraphsShiyu Wang, Xiaojie Guo, Liang ZhaoNeurIPS 2022 · 35 citations
- R-Mixup: Riemannian Mixup for Biological NetworksXuan Kan, Zimu Li, Hejie Cui, Yue Yu et al.KDD 2023 · 5 citations
- ParetoFlow: Guided Flows in Multi-Objective OptimizationYe Yuan, Can Chen, Christopher Pal, Xue LiuICLR 2025
Builds on11
- GraphAF: a Flow-based Autoregressive Model for Molecular Graph GenerationChence Shi, Minkai Xu, Zhaocheng Zhu, Weinan Zhang et al.ICLR 2020 · 532 citations
- Multi-Objective Molecule Generation using Interpretable SubstructuresWengong Jin, Regina Barzilay, Tommi S. JaakkolaICML 2020 · 238 citations
- Controlling generative models with continuous factors of variationsAntoine Plumerault, Hervé Le Borgne, Céline HudelotICLR 2020 · 132 citations
- Deep Generative Model for Periodic GraphsShiyu Wang, Xiaojie Guo, Liang ZhaoNeurIPS 2022 · 35 citations
- Property Controllable Variational Autoencoder via Invertible Mutual DependenceXiaojie Guo, Yuanqi Du, Liang ZhaoICLR 2021 · 30 citations
Related papers
- CAD-VAE: Leveraging Correlation-Aware Latents for Comprehensive Fair DisentanglementChenrui Ma, Xi Xiao, Tianyang Wang, Xiao Wang et al.AAAI 2026 · 9 citations
- Unsupervised Robust Disentangling of Latent Characteristics for Image SynthesisPatrick Esser, Johannes Haux, Björn OmmerICCV 2019 · 40 citations
- PluGeN: Multi-Label Conditional Generation from Pre-trained ModelsMaciej Wolczyk, Magdalena Proszewska, Lukasz Maziarka, Maciej Zieba et al.AAAI 2022 · 8 citations
- 3DLinker: An E(3) Equivariant Variational Autoencoder for Molecular Linker DesignYinan Huang, Xingang Peng, Jianzhu Ma, Muhan ZhangICML 2022 · 65 citations
- Navigating Chemical Space with Latent FlowsGuanghao Wei, Yining Huang, Chenru Duan, Yue Song et al.NeurIPS 2024 · 8 citations
