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New VMC variant PS-Clip-VMC enhances robustness in heavy-tailed optimization

By PulseAugur Editorial · [2 sources] ·

Researchers have identified that Variational Monte Carlo (VMC), a key algorithm in electronic structure theory and neural network applications like FermiNet, faces robustness issues due to heavy-tailed estimators. These estimators, influenced by the wave function's nodal geometry, often fail to admit higher moments, impacting the reliability of stochastic optimization. To address this, a new method called PS-Clip-VMC has been developed, which clips local energy and gradient variables. This approach is proven to converge reliably in weaker moment regimes and shows improved robustness in preliminary experiments training FermiNet on atoms. AI

IMPACT Introduces a more robust optimization technique for neural network applications in scientific computing.

RANK_REASON The cluster contains a research paper detailing a new method for a specific optimization algorithm.

Read on arXiv cs.LG →

AI-generated summary · Google Gemini · from 2 sources. How we write summaries →

New VMC variant PS-Clip-VMC enhances robustness in heavy-tailed optimization

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COVERAGE [2]

  1. arXiv cs.LG TIER_1 English(EN) · Philipp Grohs, Davide Nobile ·

    Is Variational Monte Carlo Robust? Sharp Moment Thresholds and Heavy-tailed Stochastic Optimization

    arXiv:2606.26009v1 Announce Type: new Abstract: Variational Monte Carlo (VMC) is a central algorithm in electronic structure theory and has gained renewed importance through modern neural-network ans\"atze such as FermiNet. At its core, VMC seeks ground states by minimizing the R…

  2. arXiv cs.LG TIER_1 English(EN) · Davide Nobile ·

    Is Variational Monte Carlo Robust? Sharp Moment Thresholds and Heavy-tailed Stochastic Optimization

    Variational Monte Carlo (VMC) is a central algorithm in electronic structure theory and has gained renewed importance through modern neural-network ansätze such as FermiNet. At its core, VMC seeks ground states by minimizing the Rayleigh quotient by stochastic optimization. In th…

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