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Marcin Sendera

Stagiaire de recherche - Université de Montréal
Superviseur⋅e principal⋅e

Publications

Iterated Denoising Energy Matching for Sampling from Boltzmann Densities
Tara Akhound-Sadegh
Jarrid Rector-Brooks
Joey Bose
Sarthak Mittal
Pablo Lemos
Cheng-Hao Liu
Marcin Sendera
Nikolay Malkin
Alexander Tong
Efficiently generating statistically independent samples from an unnormalized probability distribution, such as equilibrium samples of many-… (voir plus)body systems, is a foundational problem in science. In this paper, we propose Iterated Denoising Energy Matching (iDEM), an iterative algorithm that uses a novel stochastic score matching objective leveraging solely the energy function and its gradient---and no data samples---to train a diffusion-based sampler. Specifically, iDEM alternates between (I) sampling regions of high model density from a diffusion-based sampler and (II) using these samples in our stochastic matching objective to further improve the sampler. iDEM is scalable to high dimensions as the inner matching objective, is *simulation-free*, and requires no MCMC samples. Moreover, by leveraging the fast mode mixing behavior of diffusion, iDEM smooths out the energy landscape enabling efficient exploration and learning of an amortized sampler. We evaluate iDEM on a suite of tasks ranging from standard synthetic energy functions to invariant
Iterated Denoising Energy Matching for Sampling from Boltzmann Densities
Tara Akhound-Sadegh
Jarrid Rector-Brooks
Joey Bose
Sarthak Mittal
Pablo Lemos
Cheng-Hao Liu
Marcin Sendera
Nikolay Malkin
Alexander Tong
Efficiently generating statistically independent samples from an unnormalized probability distribution, such as equilibrium samples of many-… (voir plus)body systems, is a foundational problem in science. In this paper, we propose Iterated Denoising Energy Matching (iDEM), an iterative algorithm that uses a novel stochastic score matching objective leveraging solely the energy function and its gradient -- and no data samples -- to train a diffusion-based sampler. Specifically, iDEM alternates between (I) sampling regions of high model density from a diffusion-based sampler and (II) using these samples in our stochastic matching objective to further improve the sampler. iDEM is scalable to high dimensions as the inner matching objective, is simulation-free, and requires no MCMC samples. Moreover, by leveraging the fast mode mixing behavior of diffusion, iDEM smooths out the energy landscape enabling efficient exploration and learning of an amortized sampler. We evaluate iDEM on a suite of tasks ranging from standard synthetic energy functions to invariant
On diffusion models for amortized inference: Benchmarking and improving stochastic control and sampling
Marcin Sendera
Minsu Kim
Sarthak Mittal
Pablo Lemos
Luca Scimeca
Jarrid Rector-Brooks
Alexandre Adam
Nikolay Malkin
We study the problem of training diffusion models to sample from a distribution with a given unnormalized density or energy function. We ben… (voir plus)chmark several diffusion-structured inference methods, including simulation-based variational approaches and off-policy methods (continuous generative flow networks). Our results shed light on the relative advantages of existing algorithms while bringing into question some claims from past work. We also propose a novel exploration strategy for off-policy methods, based on local search in the target space with the use of a replay buffer, and show that it improves the quality of samples on a variety of target distributions. Our code for the sampling methods and benchmarks studied is made public at https://github.com/GFNOrg/gfn-diffusion as a base for future work on diffusion models for amortized inference.