arXiv:2602. 15648v2 Announce Type: replace Abstract: Inverse design problems are common in engineering and materials science.
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The paper introduces Decomposition-Aware Distributional Optimization (DADO), a new algorithm that exploits decomposability in property predictors to improve in‑silico design of discrete objects such as proteins, circuits, and materials. DADO uses a soft‑factorized search distribution and graph message‑passing to coordinate optimization across linked factors defined by a junction tree over design variables. The method aims to make distributional optimization over combinatorial design spaces more efficient by leveraging the structure of the predictive model.
The inverse design of physical systems governed by partial differential equations is computationally demanding due to the high dimensionality and non-convexity of design spaces. Generative models for inverse design often lack robustness and transferability, whereas evolutionary strategies are robust but struggle in high-dimensional spaces.
arXiv:2607. 13688v1 Announce Type: new Abstract: Emerging sustainable materials increasingly rely on engineered hierarchy and microstructure to achieve control of their properties and mechanical behavior.
arXiv:2609.13819v1 Announce Type: new Abstract: Solving inverse problems with differentiable physics simulators holds the potential to revolutionize scientific discovery and engineering design, as it...
Co-PiLOT is a latent optimization framework that maps candidate physical structures through a generative encoder-decoder, using the decoder as a learned validity prior and performing physics-informed black-box optimization in latent space. It is applied to the inverse design of magnesium alloy microstructure/texture, employing a vision transformer encoder paired with latent diffusion, diffusion transformer, and rectified-flow transformer decoders trained on an 80,000-sample EBSD dataset to produce a minimal bottleneck representation. The MERIDIAN optimizer, driven by a deep-kernel Gaussian process and failure-aware feasibility prediction, achieves the best target-driven objective score within 160 simulations, reducing relative target error by 3–22% compared to seven baseline methods.
arXiv:2607. 24274v1 Announce Type: cross Abstract: Inverse design of three-dimensional porous media is central to applications in filtration, catalysis, energy storage, fuel cells, thermal management, and biomedical scaffolds, but remains challenging because many distinct pore geometries can share similar porosity or permeability while small structural changes can strongly affect transport behaviour.