generative modeling
Generative Modeling of Discrete Data Using Geometric Latent Subspaces
Gonzalez-Alvarado, Daniel, Cassel, Jonas, Petra, Stefania, Schnörr, Christoph
We introduce the use of latent subspaces in the exponential parameter space of product manifolds of categorial distributions, as a tool for learning generative models of discrete data. The low-dimensional latent space encodes statistical dependencies and removes redundant degrees of freedom among the categorial variables. We equip the parameter domain with a Riemannian geometry such that the spaces and distances are related by isometries which enables consistent flow matching. In particular, geodesics become straight lines which makes model training by flow matching effective. Empirical results demonstrate that reduced latent dimensions suffice to represent data for generative modeling.
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LightSBB-M: Bridging Schrödinger and Bass for Generative Diffusion Modeling
Alouadi, Alexandre, Henry-Labordère, Pierre, Loeper, Grégoire, Mazhar, Othmane, Pham, Huyên, Touzi, Nizar
The Schrodinger Bridge and Bass (SBB) formulation, which jointly controls drift and volatility, is an established extension of the classical Schrodinger Bridge (SB). Building on this framework, we introduce LightSBB-M, an algorithm that computes the optimal SBB transport plan in only a few iterations. The method exploits a dual representation of the SBB objective to obtain analytic expressions for the optimal drift and volatility, and it incorporates a tunable parameter beta greater than zero that interpolates between pure drift (the Schrodinger Bridge) and pure volatility (Bass martingale transport). We show that LightSBB-M achieves the lowest 2-Wasserstein distance on synthetic datasets against state-of-the-art SB and diffusion baselines with up to 32 percent improvement. We also illustrate the generative capability of the framework on an unpaired image-to-image translation task (adult to child faces in FFHQ). These findings demonstrate that LightSBB-M provides a scalable, high-fidelity SBB solver that outperforms existing SB and diffusion baselines across both synthetic and real-world generative tasks. The code is available at https://github.com/alexouadi/LightSBB-M.
TSGM: A Flexible Framework for Generative Modeling of Synthetic Time Series
Time series data are essential in a wide range of machine learning (ML) applications. However, temporal data are often scarce or highly sensitive, limiting data sharing and the use of data-intensive ML methods. A possible solution to this problem is the generation of synthetic datasets that resemble real data. In this work, we introduce Time Series Generative Modeling (TSGM), an open-source framework for the generative modeling and evaluation of synthetic time series datasets. TSGM includes a broad repertoire of machine learning methods: generative models, probabilistic, simulation-based approaches, and augmentation techniques. The framework enables users to evaluate the quality of the produced data from different angles: similarity, downstream effectiveness, predictive consistency, diversity, fairness, and privacy. TSGM is extensible and user-friendly, which allows researchers to rapidly implement their own methods and compare them in a shareable environment. The framework has been tested on open datasets and in production and proved to be beneficial in both cases.
GaussianCube: A Structured and Explicit Radiance Representation for 3D Generative Modeling
We introduce a radiance representation that is both structured and fully explicit and thus greatly facilitates 3D generative modeling. Existing radiance representations either require an implicit feature decoder, which significantly degrades the modeling power of the representation, or are spatially unstructured, making them difficult to integrate with mainstream 3D diffusion methods. We derive GaussianCube by first using a novel densification-constrained Gaussian fitting algorithm, which yields high-accuracy fitting using a fixed number of free Gaussians, and then rearranging these Gaussians into a predefined voxel grid via Optimal Transport. Since GaussianCube is a structured grid representation, it allows us to use standard 3D U-Net as our backbone in diffusion modeling without elaborate designs. More importantly, the high-accuracy fitting of the Gaussians allows us to achieve a high-quality representation with orders of magnitude fewer parameters than previous structured representations for comparable quality, ranging from one to two orders of magnitude. The compactness of GaussianCube greatly eases the difficulty of 3D generative modeling. Extensive experiments conducted on unconditional and class-conditioned object generation, digital avatar creation, and text-to-3D synthesis all show that our model achieves state-of-the-art generation results both qualitatively and quantitatively, underscoring the potential of GaussianCube as a highly accurate and versatile radiance representation for 3D generative modeling.
T2T: From Distribution Learning in Training to Gradient Search in Testing for Combinatorial Optimization
Extensive experiments have gradually revealed the potential performance bottleneck of modeling Combinatorial Optimization (CO) solving as neural solution prediction tasks. The neural networks, in their pursuit of minimizing the average objective score across the distribution of historical problem instances, diverge from the core target of CO of seeking optimal solutions for every test instance. This calls for an effective search on each problem instance, while the model should serve to provide supporting knowledge that benefits the search. To this end, we propose T2T (Training to Testing) framework that first leverages the generative modeling to estimate the high-quality solution distribution for each instance during training, and then conducts a gradient-based search within the solution space during testing. The proposed neural search paradigm consistently leverages generative modeling, specifically diffusion, for graduated solution improvement. It disrupts the local structure of the given solution by introducing noise and reconstructs a lower-cost solution guided by the optimization objective. Experimental results on Traveling Salesman Problem (TSP) and Maximal Independent Set (MIS) show the significant superiority of T2T, demonstrating an average performance gain of 49.15% for TSP solving and 17.27% for MIS solving compared to the previous state-of-the-art.
Provable Guarantees for Generative Behavior Cloning: Bridging Low-Level Stability and High-Level Behavior
We propose a theoretical framework for studying behavior cloning of complex expert demonstrations using generative modeling.Our framework invokes low-level controllers - either learned or implicit in position-command control - to stabilize imitation around expert demonstrations. We show that with (a) a suitable low-level stability guarantee and (b) a powerful enough generative model as our imitation learner, pure supervised behavior cloning can generate trajectories matching the per-time step distribution of essentially arbitrary expert trajectories in an optimal transport cost. Our analysis relies on a stochastic continuity property of the learned policy we call total variation continuity (TVC). We then show that TVC can be ensured with minimal degradation of accuracy by combining a popular data-augmentation regimen with a novel algorithmic trick: adding augmentation noise at execution time. We instantiate our guarantees for policies parameterized by diffusion models and prove that if the learner accurately estimates the score of the (noise-augmented) expert policy, then the distribution of imitator trajectories is close to the demonstrator distribution in a natural optimal transport distance. Our analysis constructs intricate couplings between noise-augmented trajectories, a technique that may be of independent interest. We conclude by empirically validating our algorithmic recommendations, and discussing implications for future research directions for better behavior cloning with generative modeling.
Asymptotic Guarantees for Learning Generative Models with the Sliced-Wasserstein Distance
Minimum expected distance estimation (MEDE) algorithms have been widely used for probabilistic models with intractable likelihood functions and they have become increasingly popular due to their use in implicit generative modeling (e.g.\ Wasserstein generative adversarial networks, Wasserstein autoencoders). Emerging from computational optimal transport, the Sliced-Wasserstein (SW) distance has become a popular choice in MEDE thanks to its simplicity and computational benefits. While several studies have reported empirical success on generative modeling with SW, the theoretical properties of such estimators have not yet been established. In this study, we investigate the asymptotic properties of estimators that are obtained by minimizing SW. We first show that convergence in SW implies weak convergence of probability measures in general Wasserstein spaces. Then we show that estimators obtained by minimizing SW (and also an approximate version of SW) are asymptotically consistent. We finally prove a central limit theorem, which characterizes the asymptotic distribution of the estimators and establish a convergence rate of $\sqrt{n}$, where $n$ denotes the number of observed data points. We illustrate the validity of our theory on both synthetic data and neural networks.
Task Confusion and Catastrophic Forgetting in Class-Incremental Learning: A Mathematical Framework for Discriminative and Generative Modelings
In class-incremental learning (class-IL), models must classify all previously seen classes at test time without task-IDs, leading to task confusion. Despite being a key challenge, task confusion lacks a theoretical understanding. We present a novel mathematical framework for class-IL and prove the Infeasibility Theorem, showing optimal class-IL is impossible with discriminative modeling due to task confusion. However, we establish the Feasibility Theorem, demonstrating that generative modeling can achieve optimal class-IL by overcoming task confusion. We then assess popular class-IL strategies, including regularization, bias-correction, replay, and generative classifier, using our framework. Our analysis suggests that adopting generative modeling, either for generative replay or direct classification (generative classifier), is essential for optimal class-IL.
Generative Modeling of Molecular Dynamics Trajectories
Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of molecular trajectories as a paradigm for learning flexible multi-task surrogate models of MD from data. By conditioning on appropriately chosen frames of the trajectory, we show such generative models can be adapted to diverse tasks such as forward simulation, transition path sampling, and trajectory upsampling. By alternatively conditioning on part of the molecular system and inpainting the rest, we also demonstrate the first steps towards dynamics-conditioned molecular design. We validate the full set of these capabilities on tetrapeptide simulations and show preliminary results on scaling to protein monomers. Altogether, our work illustrates how generative modeling can unlock value from MD data towards diverse downstream tasks that are not straightforward to address with existing methods or even MD itself. Code is available at https://github.com/bjing2016/mdgen.