arXiv Machine Learning

Generative Inverse Design with Abstention via Diagonal Flow Matching

arXiv:2603. 15925v2 Announce Type: replace Abstract: Inverse design aims to find design parameters $x$ achieving target performance $y^*$.

arXiv Machine Learning
Sep 2

Conditional Flow Matching for ML-Based Inverse Design Problems

The paper introduces Conditional Flow Matching (CFM) for engineering inverse design, comparing it to conditional diffusion models and cGANs on EngiBench structural and thermal benchmarks. CFM outperforms the baselines in cumulative and final optimality gaps, mean volume‑fraction deviation, and throughput, achieving up to 66× faster sample generation with fewer network evaluations. The study demonstrates CFM’s effectiveness as a warm‑start generator for gradient‑based refinement in PDE‑constrained design problems.

By Juliana Felder, Milad Habibi, Soheyl Massoudi, Mark Fuge
arXiv AI
Sep 2

Training-Free Refinement of Flow Matching with Divergence-based Sampling

The paper introduces Flow Divergence Sampler (FDS), a training‑free method that refines intermediate states in flow‑matching models by using the divergence of the marginal velocity field to detect and correct misguidance toward low‑density regions. FDS operates during inference, requires no additional training, and can be applied as a plug‑and‑play module with standard solvers and existing flow backbones. Experiments show that FDS consistently improves fidelity in tasks such as text‑to‑image synthesis and inverse problems.

By Yeonwoo Cha, Jaehoon Yoo, Semin Kim, Yunseo Park, Jinhyeon Kwon, Seunghoon Hong
arXiv Machine Learning
Sep 18

PosteriorBench: From Point Estimates to Posterior Matching in Evaluating Generative Inverse Solvers

PosteriorBench is a new benchmark that evaluates how well generative inverse solvers recover full posterior distributions rather than just a single reconstruction. It tests four physics-based inverse problems—Darcy flow inversion, Poisson source recovery, carbon capture and storage, and light transport material inference—using high-fidelity reference posteriors generated by rejection sampling and MCMC. The benchmark employs five metrics (posterior-mean error, posterior-standard-deviation error, maximum mean discrepancy, sliced Wasserstein distance, and radially averaged power-spectrum error) to assess pointwise accuracy, uncertainty, distributional alignment, and global frequency fidelity, revealing significant distribution-matching gaps in current solvers and highlighting the importance of neural operators, guidance weights, and generation noise for posterior-variance calibration.

By Jiachen Yao, Zi-Siang Hsu, Xi Deng, Aditi Gupta, Xin Ju, Sally M Benson, Gege Wen, Anima Anandkumar
arXiv Machine Learning
Jun 8

Drifting Models for Surrogate Flow Modeling

arXiv:2606. 07481v1 Announce Type: new Abstract: While Computational Fluid Dynamics (CFD) provides high-fidelity flow fields for optimizing indoor environments, its computational cost limits rapid exploration.

By Chris R. Jung, Markus D\"orr, Natalie J\"ungling, Jennifer Niessner, Adam T. M\"uller, Nicolaj C. Stache
arXiv Machine Learning
Jun 10

Exploring the Design Space of Reward Backpropagation for Flow Matching

arXiv:2606. 11075v1 Announce Type: new Abstract: Aligning text-to-image flow matching models with human preferences via direct reward backpropagation is sample-efficient but hampered by two well-known pathologies: activations cannot be stored across the full sampling trajectory at modern model scale, and chained Jacobian products across steps inflate the reward gradient as it travels back to early indices.

By Ruoyu Wang, Boye Niu, Xiangxin Zhou, Yushi Huang, Tongliang Liu, Chi Zhang