160 citations · 834 across the 51 of their papers we have counts for
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FluxLite: Inference-Time Proposal Control for Discrete Diffusion Models
Yinuo Ren, Haoxuan Chen, Grant M. Rotskoff +2
Many inference-time tasks for pretrained discrete diffusion models and diffusion language models reduce to drawing samples from a tilted version of the pretrained distribution. Fey…
Morphology and depletion force-based large-scale self-assembly of nanocubes on surface
Yeonhee Lee, Seungsang Cha, Yuna Kwak +3
Self-assembling nanoparticles is a highly efficient and facile way to form functional nano-, micro- and macrostructures. However, currently available methods lack precision and con…
Optimal parameterization of nonequilibrium generalized master equations from discrete-time experimental data
Chih-Wei Joshua Liu, Jérémie Klinger, Grant M. Rotskoff
Kinetic analyses of experiments often require coarse-grained descriptions, but complex systems rarely conform to the widely used modeling assumptions of Markovianity and thermodyna…
Scaling Transferable Coarse-graining with Mean Force Matching
Abigail Park, Shriram Chennakesavalu, Grant M. Rotskoff
Coarse-grained molecular dynamics often sacrifices accuracy and transferability for computational efficiency, but the use of machine learned potentials is helping coarse-grained mo…
The cost of quantum algorithms for biochemistry: A case study in metaphosphate hydrolysis
Ryan LaRose, Antonios M. Alvertis, Alan Bidart +10
We evaluate the quantum resource requirements for ATP/metaphosphate hydrolysis, one of the most important reactions in all of biology with implications for metabolism, cellular sig…