Author name cluster

Grigory Bartosh

Possible papers associated with this exact author name in Arrow. This page groups case-insensitive exact name matches and is not a full identity disambiguation profile.

7 papers

2 author rows

ICML Conference 2025 Conference Paper

SDE Matching: Scalable and Simulation-Free Training of Latent Stochastic Differential Equations

Grigory Bartosh
Dmitry P. Vetrov
Christian A. Naesseth

The Latent Stochastic Differential Equation (SDE) is a powerful tool for time series and sequence modeling. However, training Latent SDEs typically relies on adjoint sensitivity methods, which depend on simulation and backpropagation through approximate SDE solutions, which limit scalability. In this work, we propose SDE Matching, a new simulation-free method for training Latent SDEs. Inspired by modern Score- and Flow Matching algorithms for learning generative dynamics, we extend these ideas to the domain of stochastic dynamics for time series modeling, eliminating the need for costly numerical simulations. Our results demonstrate that SDE Matching achieves performance comparable to adjoint sensitivity methods while drastically reducing computational complexity.

Details

AAAI Conference 2025 Conference Paper

TEncDM: Understanding the Properties of the Diffusion Model in the Space of Language Model Encodings

Alexander Shabalin
Viacheslav Meshchaninov
Egor Chimbulatov
Vladislav Lapikov
Roman Kim
Grigory Bartosh
Dmitry Molchanov
Sergey Markov

This paper presents the Text Encoding Diffusion Model (TEncDM), a novel approach to diffusion modeling that operates in the space of pre-trained language model encodings. In contrast to traditionally used embeddings, encodings integrate contextual information. In our approach, we also employ a transformer-based decoder, specifically designed to incorporate context in the token prediction process. We conduct a comprehensive examination of the influence of the encoder, decoder, noise scheduler, and self-conditioning on zero-shot generation. Furthermore, we compare TEncDM with previous approaches on three conditional text generation tasks: QQP, XSum, and Wiki-Auto. The results show that TEncDM exhibits superior performance compared to existing non-autoregressive diffusion models.

PDF Details DOI

NeurIPS Conference 2024 Conference Paper

Equivariant Neural Diffusion for Molecule Generation

François Cornet
Grigory Bartosh
Mikkel N. Schmidt
Christian A. Naesseth

We introduce Equivariant Neural Diffusion (END), a novel diffusion model for molecule generation in 3D that is equivariant to Euclidean transformations. Compared to current state-of-the-art equivariant diffusion models, the key innovation in END lies in its learnable forward process for enhanced generative modelling. Rather than pre-specified, the forward process is parameterized through a time- and data-dependent transformation that is equivariant to rigid transformations. Through a series of experiments on standard molecule generation benchmarks, we demonstrate the competitive performance of END compared to several strong baselines for both unconditional and conditional generation.

PDF Details DOI

ICML Conference 2024 Conference Paper

Neural Diffusion Models

Grigory Bartosh
Dmitry P. Vetrov
Christian A. Naesseth

Diffusion models have shown remarkable performance on many generative tasks. Despite recent success, most diffusion models are restricted in that they only allow linear transformation of the data distribution. In contrast, broader family of transformations can help train generative distributions more efficiently, simplifying the reverse process and closing the gap between the true negative log-likelihood and the variational approximation. In this paper, we present Neural Diffusion Models (NDMs), a generalization of conventional diffusion models that enables defining and learning time-dependent non-linear transformations of data. We show how to optimise NDMs using a variational bound in a simulation-free setting. Moreover, we derive a time-continuous formulation of NDMs, which allows fast and reliable inference using off-the-shelf numerical ODE and SDE solvers. Finally, we demonstrate the utility of NDMs through experiments on many image generation benchmarks, including MNIST, CIFAR-10, downsampled versions of ImageNet and CelebA-HQ. NDMs outperform conventional diffusion models in terms of likelihood, achieving state-of-the-art results on ImageNet and CelebA-HQ, and produces high-quality samples.

Details

NeurIPS Conference 2024 Conference Paper

Neural Flow Diffusion Models: Learnable Forward Process for Improved Diffusion Modelling

Grigory Bartosh
Dmitry Vetrov
Christian A. Naesseth

Conventional diffusion models typically relies on a fixed forward process, which implicitly defines complex marginal distributions over latent variables. This can often complicate the reverse process’ task in learning generative trajectories, and results in costly inference for diffusion models. To address these limitations, we introduce Neural Flow Diffusion Models (NFDM), a novel framework that enhances diffusion models by supporting a broader range of forward processes beyond the standard Gaussian. We also propose a novel parameterization technique for learning the forward process. Our framework provides an end-to-end, simulation-free optimization objective, effectively minimizing a variational upper bound on the negative log-likelihood. Experimental results demonstrate NFDM’s strong performance, evidenced by state-of-the-art likelihood estimation. Furthermore, we investigate NFDM’s capacity for learning generative dynamics with specific characteristics, such as deterministic straight lines trajectories, and demonstrate how the framework may be adopted for learning bridges between two distributions. The results underscores NFDM’s versatility and its potential for a wide range of applications.

PDF Details DOI

NeurIPS Conference 2024 Conference Paper

Variational Flow Matching for Graph Generation

Floor Eijkelboom
Grigory Bartosh
Christian A. Naesseth
Max Welling
Jan-Willem van de Meent

We present a formulation of flow matching as variational inference, which we refer to as variational flow matching (VFM). We use this formulation to develop CatFlow, a flow matching method for categorical data that is easy to implement, computationally efficient, and achieves strong results on graph generation tasks. In VFM, the objective is to approximate the posterior probability path, which is a distribution over possible end points of a trajectory. VFM admits both the original flow matching objective and the CatFlow objective as special cases. We also relate VFM to score-based models, in which the dynamics are stochastic rather than deterministic, and derive a bound on the model likelihood based on a reweighted VFM objective. We evaluate CatFlow on one abstract graph generation task and two molecular generation tasks. In all cases, CatFlow exceeds or matches performance of the current state-of-the-art models.

PDF Details DOI

NeurIPS Conference 2023 Conference Paper

Star-Shaped Denoising Diffusion Probabilistic Models

Andrey Okhotin
Dmitry Molchanov
Arkhipkin Vladimir
Grigory Bartosh
Viktor Ohanesian
Aibek Alanov
Dmitry P. Vetrov

Denoising Diffusion Probabilistic Models (DDPMs) provide the foundation for the recent breakthroughs in generative modeling. Their Markovian structure makes it difficult to define DDPMs with distributions other than Gaussian or discrete. In this paper, we introduce Star-Shaped DDPM (SS-DDPM). Its star-shaped diffusion process allows us to bypass the need to define the transition probabilities or compute posteriors. We establish duality between star-shaped and specific Markovian diffusions for the exponential family of distributions and derive efficient algorithms for training and sampling from SS-DDPMs. In the case of Gaussian distributions, SS-DDPM is equivalent to DDPM. However, SS-DDPMs provide a simple recipe for designing diffusion models with distributions such as Beta, von Mises–Fisher, Dirichlet, Wishart and others, which can be especially useful when data lies on a constrained manifold. We evaluate the model in different settings and find it competitive even on image data, where Beta SS-DDPM achieves results comparable to a Gaussian DDPM. Our implementation is available at https: //github. com/andrey-okhotin/star-shaped

PDF Details