Search Results for author: Valerii Iakovlev

Found 5 papers, 3 papers with code

Field-based Molecule Generation

no code implementations24 Feb 2024 Alexandru Dumitrescu, Dani Korpela, Markus Heinonen, Yogesh Verma, Valerii Iakovlev, Vikas Garg, Harri Lähdesmäki

This work introduces FMG, a field-based model for drug-like molecule generation.

Learning Space-Time Continuous Neural PDEs from Partially Observed States

1 code implementation9 Jul 2023 Valerii Iakovlev, Markus Heinonen, Harri Lähdesmäki

We introduce a novel grid-independent model for learning partial differential equations (PDEs) from noisy and partial observations on irregular spatiotemporal grids.

Variational Inference

Latent Neural ODEs with Sparse Bayesian Multiple Shooting

1 code implementation7 Oct 2022 Valerii Iakovlev, Cagatay Yildiz, Markus Heinonen, Harri Lähdesmäki

Training dynamic models, such as neural ODEs, on long trajectories is a hard problem that requires using various tricks, such as trajectory splitting, to make model training work in practice.

Variational Inference

Enforcing physics-based algebraic constraints for inference of PDE models on unstructured grids

no code implementations29 Sep 2021 Valerii Iakovlev, Markus Heinonen, Harri Lähdesmäki

Data-driven neural network models have recently shown great success in modelling and learning complex PDE systems.

Learning continuous-time PDEs from sparse data with graph neural networks

1 code implementation ICLR 2021 Valerii Iakovlev, Markus Heinonen, Harri Lähdesmäki

We demonstrate the model's ability to work with unstructured grids, arbitrary time steps, and noisy observations.

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