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 $y^*$.
The paper introduces CoNN-AL, a framework that combines stream-based active learning with a Cooperative Neural Network and Denoising Autoencoder to efficiently perform partial inverse design in engineering. By estimating predictive uncertainty with Monte Carlo dropout, the method selectively labels the most informative samples in real time, dramatically reducing the number of required simulations. Applied to an automotive glass run channel dataset of over 900,000 designs, CoNN-AL achieves R-squared values between 0.967 and 0.982 using only 2.3% of the full training set, outperforming random sampling and approaching the performance of models trained on much larger datasets.
arXiv:2603. 15925v2 Announce Type: replace Abstract: Inverse design aims to find design parameters $x$ achieving target performance $y^*$.
arXiv:2610.07045v1 Announce Type: cross Abstract: Many scientific studies allow costly auxiliary information to be collected during data labeling but not at deployment. Examples include diagnostic te...
arXiv:2609.10311v1 Announce Type: cross Abstract: The lottery ticket hypothesis posits the existence of winning tickets: sparse subnetworks that, when trained in isolation from their original initial...
arXiv:2512. 07847v2 Announce Type: replace Abstract: Benchmarking has been the cornerstone of progress in computer vision, natural language processing, and the broader deep learning domain, driving algorithmic innovation through standardized datasets and reproducible evaluation protocols.
arXiv:2604. 15613v4 Announce Type: replace-cross Abstract: We present Green-ELM, a non-iterative neural architecture that replaces gradient-based optimization of the output layer with a closed-form analytic solution over a fixed, high-dimensional random feature representation.
The paper presents cross‑domain pretraining for neural surrogates in steady‑state computational fluid dynamics (CFD). By training models across varied geometries, boundary conditions, and fidelities, the authors show that such pretraining improves zero‑ and few‑shot performance compared to training from scratch or transferring from domain‑specific experts. Finetuning a pretrained cross‑domain model can reduce errors by 2–3× at the same sample size and require eight times fewer samples to reach the same error, with benefits that grow with model size and dataset diversity.
arXiv:2608. 03249v1 Announce Type: new Abstract: Cold-Start Active Learning (CSAL) aims to select a valuable subset from an unlabeled pool without any prior knowledge or human assistance.
The paper introduces a cooperative neural network framework for partially inverse designing high‑performance concrete (HPC) mixes. It combines an imputation model with a surrogate strength predictor and is trained cooperatively, enabling it to produce valid, performance‑consistent mix designs in a single forward pass without retraining for different constraints. Compared to baseline methods, the approach achieves higher strength consistency (R² 0.84–0.89) and reduces mean squared error by 42–60%.
The paper investigates why transferring relational structure learned from abundant forward-simulation data fails for inverse problems, despite theoretical expectations. It demonstrates that dynamics‑learned graphs, such as those from Neural Relational Inference, can worsen performance by over 100% compared to a task‑optimised attention baseline, and that this failure persists across multiple evidence lines. The authors formalise the gap as an approximation‑error issue and propose a lightweight transferability test based on Jaccard similarity to predict successful transfer.
arXiv:2609.23549v1 Announce Type: new Abstract: Screening oxygen-evolution catalysts on combinatorial libraries requires deciding which candidates receive the remaining measurements. The deciding act...
arXiv:2609.35827v1 Announce Type: cross Abstract: The quality of a detector design is ultimately determined by the quality of the inference it enables, that is, by the accuracy with which the quantit...
arXiv:2609.39525v1 Announce Type: new Abstract: Casting Bayesian inference as a neural network optimization problem targeting an amortized posterior is attractive, as it extends to otherwise intracta...