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  1. Error Breakdown and Sensitivity Analysis of Dynamical Quantities in Markov State Models

    Publication
    Markov state models (MSMs) are widely employed to analyze the kinetics of complex systems. But despite their effectiveness in many applications, MSMs are prone to systematic or statistical …

  2. Error Breakdown and Sensitivity Analysis of Dynamical Quantities in Markov State Models

    Publication
    Markov state models (MSMs) are widely employed to analyze the kinetics of complex systems. But despite their effectiveness in many applications, MSMs are prone to systematic or statistical …

  3. Cryo-EM images are intrinsically low dimensional

    Publication
    Simulation-based inference provides a powerful framework for cryoelectron microscopy, employing neural networks in methods like CryoSBI to infer biomolecular conformations via learned latent representations. This latent space …

  4. Cryo-EM images are intrinsically low dimensional

    Publication
    Simulation-based inference provides a powerful framework for cryoelectron microscopy, employing neural networks in methods like CryoSBI to infer biomolecular conformations via learned latent representations. This latent space …

  5. Counting particles could give wrong probabilities in Cryo-Electron Microscopy

    Publication
    Cryo-electron microscopy (cryo-EM) experiments take 2D snapshots of individual proteins. In principle, these snapshots contain not only the main biomolecular conformations but also scarcely populated states …

  6. Counting particles could give wrong probabilities in Cryo-Electron Microscopy

    Publication
    Cryo-electron microscopy (cryo-EM) experiments take 2D snapshots of individual proteins. In principle, these snapshots contain not only the main biomolecular conformations but also scarcely populated states …

  7. Amortized template-matching of molecular conformations from cryo-electron microscopy images using simulation-based inference

    Publication
    Biomolecules undergo conformational changes to perform their function. Cryo-electron microscopy (cryo-EM) can capture snapshots of biomolecules in various conformations. However, these images are noisy and display …

  8. Sharp error estimates for target measure diffusion maps with applications to the committor problem

    Publication
    We obtain asymptotically sharp error estimates for the consistency error of the Target Measure Diffusion map (TMDmap) (Banisch et al. 2020), a variant of diffusion maps featuring importance …