most citedEnhancing Diffusion-Based Sampling with Molecular Collective Variables

1 citations · 1 across the 5 of their papers we have counts for

collaborators

7 papers

cs.LG2026

Concurrence of Symmetry Breaking and Nonlocality Phase Transitions in Diffusion Models

Yifan F. Zhang, Fangjun Hu, Guangkuo Liu +2

Diffusion models undergo a phase transition in a critical time window during generation dynamics, with two complementary diagnoses of criticality. The symmetry breaking picture vie…

stat.ML2026

Discrete Adjoint Matching

Oswin So, Brian Karrer, Chuchu Fan +2

Computation methods for solving entropy-regularized reward optimization -- a class of problems widely used for fine-tuning generative models -- have advanced rapidly. Among those,…

stat.ML2026

Discrete Adjoint Schrödinger Bridge Sampler

Wei Guo, Yuchen Zhu, Xiaochen Du +6

Learning discrete neural samplers is challenging due to the lack of gradients and combinatorial complexity. While stochastic optimal control (SOC) and Schrödinger bridge (SB) provi…

physics.chem-ph2025★ 1 cited

Enhancing Diffusion-Based Sampling with Molecular Collective Variables

Juno Nam, Bálint Máté, Artur P. Toshev +6

Diffusion-based samplers learn to sample complex, high-dimensional distributions using energies or log densities alone, without training data. Yet, they remain impractical for mole…

cs.LG2025

MDNS: Masked Diffusion Neural Sampler via Stochastic Optimal Control

Yuchen Zhu, Wei Guo, Jaemoo Choi +3

We study the problem of learning a neural sampler to generate samples from discrete state spaces where the target probability mass function is known up to…

stat.ML2025

Adjoint Schrödinger Bridge Sampler

Guan-Horng Liu, Jaemoo Choi, Yongxin Chen +2

Computational methods for learning to sample from the Boltzmann distribution -- where the target distribution is known only up to an unnormalized energy function -- have advanced s…