Guided Diffusion by Optimized Loss Functions on Relaxed Parameters for Inverse Material Design
arXiv:2602. 15648v2 Announce Type: replace Abstract: Inverse design problems are common in engineering and materials science.
arXiv:2607. 10896v1 Announce Type: new Abstract: Small-data inverse design is challenging in engineering informatics when observations are heterogeneous, mixed-type, and constrained by physical relations among design variables.
arXiv:2602. 15648v2 Announce Type: replace Abstract: Inverse design problems are common in engineering and materials science.
arXiv:2605. 11759v2 Announce Type: replace-cross Abstract: Dimensionality reduction is essential in simulation-based shape design, where high-dimensional parameterizations hinder optimization, surrogate modeling, and systematic design-space exploration.
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.
The paper evaluates the Tabular Prior-data Fitted Network (TabPFN) as a surrogate model in surrogate‑assisted evolutionary algorithms (SAEAs) for expensive optimization problems. Through extensive experiments in both offline and online settings across a range of problem types—including single‑objective, multi‑objective, constrained, combinatorial, mixed‑variable, and engineering tasks—the study finds that TabPFN’s effectiveness varies strongly with the problem characteristics. The authors conclude that TabPFN should be used selectively, with customized model management and algorithm design tailored to data availability, landscape complexity, and search‑space properties.
arXiv:2607. 23480v1 Announce Type: new Abstract: Variational autoencoders (VAEs) transform high-dimensional, often noisy data into a compact latent representation, making downstream optimization more tractable.
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:2606. 04033v1 Announce Type: new Abstract: The validation of advanced nuclear reactor designs and fuel concepts requires critical experiments with high neutronic similarity to the target technology.
arXiv:2609.37473v1 Announce Type: cross Abstract: Many engineering problems involve optimizing a high-dimensional expensive black-box (HEB) design space. To solve such problems efficiently, we propos...
arXiv:2604. 25241v2 Announce Type: replace Abstract: Categorical structural optimization under aleatoric uncertainty is challenging because each design variable must be selected from a finite catalog of admissible instances, while each candidate design may require expensive stochastic finite-element evaluations.
arXiv:2607. 07682v1 Announce Type: new Abstract: 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.
arXiv:2607. 14652v1 Announce Type: new Abstract: Topology optimisation (TO) often requires repeated finite element analysis and sensitivity-based material updates, which can be costly when multiple candidate designs are needed under varying physical and design conditions.
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.