Two for One by Microsoft – Diffusion models and force fields for coarse-grained molecular dynamics
Coarse-grained (CG) molecular dynamics enables the study of biological processes at temporal and spatial scales that would be intractable at an atomistic resolution. However, accurately learning a CG force field remains a challenge. In this work, we leverage connections between score-based generative models, force fields and molecular dynamics to learn a CG force field without requiring any force inputs during training. Specifically, we train a diffusion generative model on protein structures from molecular dynamics simulations, and we show that its score function approximates a force field that can directly be used to simulate CG molecular dynamics. While having a vastly simplified training setup compared to previous work, we demonstrate that our approach leads to improved performance across several small- to medium-sized protein simulations, reproducing the CG equilibrium distribution, and preserving dynamics of all-atom simulations such as protein folding events.
In this paper, we present TEXTure, a novel method for text-guided generation, editing, and transfer of textures for 3D shapes. Leveraging a pretrained depth-to-image diffusion model, TEXTure applies an iterative scheme that paints a 3D model from different viewpoints. Yet, while depth-to-image models can create plausible textures from a single viewpoint, the stochastic nature of […]
Recent work has shown that, in generative modeling, cross-entropy loss improves smoothly with model size and training compute, following a power law plus constant scaling law. One challenge in extending these results to reinforcement learning is that the main performance objective of interest, mean episode return, need not vary smoothly. To overcome this, we introduce […]
Recent works in spatiotemporal radiance fields can produce photorealistic free-viewpoint videos. However, they are inherently unsuitable for interactive streaming scenarios (e.g. video conferencing, telepresence) because have an inevitable lag even if the training is instantaneous. This is because these approaches consume videos and thus have to buffer chunks of frames (often seconds) before processing. In […]
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