# Minimum-Excess-Work Guidance

arXiv: https://arxiv.org/abs/2505.13375 · HTML: https://mlsanity.com/paper/2505.13375/

## Key facts

- Cited by 1 papers in the map (data through 14 Oct 2026).
- Placed in Flow matching, time series and science, one of 14 directions in Diffusion models.
- Builds on 36 of its 98 references that are in the map.
- First posted on arXiv 19 May 2025.

## Placed in

- Diffusion models / [Flow matching, time series and science](https://mlsanity.com/diffusion/flow-matching-time-series-and-science/)

## Builds on (most cited first, 30 of 36)

- [Attention Is All You Need](https://mlsanity.com/paper/1706.03762/) (2017)
- [Denoising Diffusion Probabilistic Models](https://mlsanity.com/paper/2006.11239/) (2020)
- [Score-Based Generative Modeling through Stochastic Differential Equations](https://mlsanity.com/paper/2011.13456/) (2020)
- [Classifier-Free Diffusion Guidance](https://mlsanity.com/paper/2207.12598/) (2022)
- [Flow Matching for Generative Modeling](https://mlsanity.com/paper/2210.02747/) (2022)
- [Neural Ordinary Differential Equations](https://mlsanity.com/paper/1806.07366/) (2018)
- [GLIDE: Towards Photorealistic Image Generation and Editing with Text-Guided Diffusion Models](https://mlsanity.com/paper/2112.10741/) (2021)
- [Diffusion Posterior Sampling for General Noisy Inverse Problems](https://mlsanity.com/paper/2209.14687/) (2022)
- [Normalizing Flows for Probabilistic Modeling and Inference](https://mlsanity.com/paper/1912.02762/) (2019)
- [Training Diffusion Models with Reinforcement Learning](https://mlsanity.com/paper/2305.13301/) (2023)
- [Denoising Diffusion Restoration Models](https://mlsanity.com/paper/2201.11793/) (2022)
- [Stochastic Interpolants: A Unifying Framework for Flows and Diffusions](https://mlsanity.com/paper/2303.08797/) (2023)
- [Improving and generalizing flow-based generative models with minibatch optimal transport](https://mlsanity.com/paper/2302.00482/) (2023)
- [Diffusion Model Alignment Using Direct Preference Optimization](https://mlsanity.com/paper/2311.12908/) (2023)
- [Universal Guidance for Diffusion Models](https://mlsanity.com/paper/2302.07121/) (2023)
- [The Vendi Score: A Diversity Evaluation Metric for Machine Learning](https://mlsanity.com/paper/2210.02410/) (2022)
- [Rectified Flow: A Marginal Preserving Approach to Optimal Transport](https://mlsanity.com/paper/2209.14577/) (2022)
- [Torsional Diffusion for Molecular Conformer Generation](https://mlsanity.com/paper/2206.01729/) (2022)
- [Equivariant Flows: Exact Likelihood Generative Learning for Symmetric Densities](https://mlsanity.com/paper/2006.02425/) (2020)
- [Adjoint Matching: Fine-tuning Flow and Diffusion Generative Models with Memoryless Stochastic Optimal Control](https://mlsanity.com/paper/2409.08861/) (2024)
- [TrajectoryNet: A Dynamic Optimal Transport Network for Modeling Cellular Dynamics](https://mlsanity.com/paper/2002.04461/) (2020)
- [Equivariant flow matching](https://mlsanity.com/paper/2306.15030/) (2023)
- [D-Flow: Differentiating through Flows for Controlled Generation](https://mlsanity.com/paper/2402.14017/) (2024)
- [Action Matching: Learning Stochastic Dynamics from Samples](https://mlsanity.com/paper/2210.06662/) (2022)
- [Interacting particle solutions of Fokker-Planck equations through gradient-log-density estimation](https://mlsanity.com/paper/2006.00702/) (2020)
- [Two for One: Diffusion Models and Force Fields for Coarse-Grained Molecular Dynamics](https://mlsanity.com/paper/2302.00600/) (2023)
- [Timewarp: Transferable Acceleration of Molecular Dynamics by Learning Time-Coarsened Dynamics](https://mlsanity.com/paper/2302.01170/) (2023)
- [The Schr"odinger Bridge between Gaussian Measures has a Closed Form](https://mlsanity.com/paper/2202.05722/) (2022)
- [A Computational Framework for Solving Wasserstein Lagrangian Flows](https://mlsanity.com/paper/2310.10649/) (2023)
- [On Kinetic Optimal Probability Paths for Generative Models](https://mlsanity.com/paper/2306.06626/) (2023)

## Built on by (most cited first, 1 of 1)

- [Calibrating Generative Models to Distributional Constraints](https://mlsanity.com/paper/2510.10020/) (2025)

## Abstract (arXiv)

We propose a regularization framework inspired by thermodynamic work for guiding pre-trained probability flow generative models (e.g., continuous normalizing flows or diffusion models) by minimizing excess work, a concept rooted in statistical mechanics and with strong conceptual connections to optimal transport. Our approach enables efficient guidance in sparse-data regimes common to scientific applications, where only limited target samples or partial density constraints are available. We introduce two strategies: Path Guidance for sampling rare transition states by concentrating probability mass on user-defined subsets, and Observable Guidance for aligning generated distributions with experimental observables while preserving entropy. We demonstrate the framework's versatility on a coarse-grained protein model, guiding it to sample transition configurations between folded/unfolded states and correct systematic biases using experimental data. The method bridges thermodynamic principles with modern generative architectures, offering a principled, efficient, and physics-inspired alternative to standard fine-tuning in data-scarce domains. Empirical results highlight improved sample efficiency and bias reduction, underscoring its applicability to molecular simulations and beyond.