Shaghayegh Fazliani

Shaghayegh Fazliani, Krissh Chawla, Jack Guo et al.

Rapid progress in aerodynamic shape optimization (ASO) has outpaced currently-available standardized evaluation frameworks. Fair comparison requires a unified benchmark spanning diverse shape classes, objective formulations, and matched-budget state-of-the-art baselines. We introduce ShapeBench, an open-source ASO benchmark with a unified API spanning 103 tasks across eight shape categories and multiple optimization regimes. Each ShapeBench task includes a validated surrogate for fast search; when feasible, a high-fidelity Computational Fluid Dynamics (CFD) pipeline for final verification is available, enabling systematic fidelity-gap analysis. ShapeBench provides a reproducible protocol with well-configured baselines to compare fairly using a consistent budget metric, allowing for comparison among both classical and LLM-driven methods, including general-purpose optimizers and a new domain-specialized evolutionary LLM baseline, ShapeEvolve. Results on ShapeBench demonstrate substantial variance in optimizer rankings across shape categories and problem formulations, with mean pairwise Spearman $ρ= 0.013$, so single-task conclusions do not reliably generalize across problem classes. The benchmark is also far from saturation; classical methods are rarely applicable across all shape categories and tasks, further highlighting the need for more general-purpose approaches.

Shaghayegh Fazliani, Madeleine Udell

Current LLM-driven approaches using test-time computing to generate PDE solvers execute a large number of solver samples to identify high-accuracy solvers. These paradigms are especially costly for complex PDEs requiring substantial computational resources for numerical evaluation. We introduce PDE-SHARP, a framework to reduce computational costs by replacing expensive scientific computation by cheaper LLM inference that achieves superior solver accuracy with 60-75% fewer computational evaluations. PDE-SHARP employs three stages: (1) Analysis: mathematical chain-of-thought analysis including PDE classification, solution type detection, and stability analysis; (2) Genesis: solver generation based on mathematical insights from the previous stage; and (3) Synthesis: collaborative selection-hybridization tournaments in which LLM judges iteratively refine implementations through flexible performance feedback. To generate high-quality solvers, PDE-SHARP requires fewer than 13 solver evaluations on average compared to 30+ for baseline methods, improving accuracy uniformly across tested PDEs by $4\times$ on average, and demonstrates robust performance across LLM architectures, from general-purpose to specialized reasoning models.

Shaghayegh Fazliani, Zachary Frangella, Madeleine Udell

Physics-Informed Neural Networks (PINNs) seek to solve partial differential equations (PDEs) with deep learning. Mainstream approaches that deploy fully-connected multi-layer deep learning architectures require prolonged training to achieve even moderate accuracy, while recent work on feature engineering allows higher accuracy and faster convergence. This paper introduces SAFE-NET, a Single-layered Adaptive Feature Engineering NETwork that achieves orders-of-magnitude lower errors with far fewer parameters than baseline feature engineering methods. SAFE-NET returns to basic ideas in machine learning, using Fourier features, a simplified single hidden layer network architecture, and an effective optimizer that improves the conditioning of the PINN optimization problem. Numerical results show that SAFE-NET converges faster and typically outperforms deeper networks and more complex architectures. It consistently uses fewer parameters -- on average, 65% fewer than the competing feature engineering methods -- while achieving comparable accuracy in less than 30% of the training epochs. Moreover, each SAFE-NET epoch is 95% faster than those of competing feature engineering approaches. These findings challenge the prevailing belief that modern PINNs effectively learn features in these scientific applications and highlight the efficiency gains possible through feature engineering.

Pratik Rathore, Zachary Frangella, Sachin Garg et al.

Gaussian processes (GPs) play an essential role in biostatistics, scientific machine learning, and Bayesian optimization for their ability to provide probabilistic predictions and model uncertainty. However, GP inference struggles to scale to large datasets (which are common in modern applications), since it requires the solution of a linear system whose size scales quadratically with the number of samples in the dataset. We propose an approximate, distributed, accelerated sketch-and-project algorithm ($\texttt{ADASAP}$) for solving these linear systems, which improves scalability. We use the theory of determinantal point processes to show that the posterior mean induced by sketch-and-project rapidly converges to the true posterior mean. In particular, this yields the first efficient, condition number-free algorithm for estimating the posterior mean along the top spectral basis functions, showing that our approach is principled for GP inference. $\texttt{ADASAP}$ outperforms state-of-the-art solvers based on conjugate gradient and coordinate descent across several benchmark datasets and a large-scale Bayesian optimization task. Moreover, $\texttt{ADASAP}$ scales to a dataset with $> 3 \cdot 10^8$ samples, a feat which has not been accomplished in the literature.

Shabnam Fazliani, Mohammad Mowlavi Sorond, Arsalan Masoudifard et al.

The advent of smart contracts has enabled the rapid rise of Decentralized Finance (DeFi) on the Ethereum blockchain, offering substantial rewards in financial innovation and inclusivity. This growth, however, is accompanied by significant security risks such as illicit accounts engaged in fraud. Effective detection is further limited by the scarcity of labeled data and the evolving tactics of malicious accounts. To address these challenges with a robust solution for safeguarding the DeFi ecosystem, we propose $\textbf{SLEID}$, a $\textbf{S}$elf-$\textbf{L}$earning $\textbf{E}$nsemble-based $\textbf{I}$llicit account $\textbf{D}$etection framework. SLEID uses an Isolation Forest model for initial outlier detection and a self-training mechanism to iteratively generate pseudo-labels for unlabeled accounts, enhancing detection accuracy. Experiments on 6,903,860 Ethereum transactions with extensive DeFi interaction coverage demonstrate that SLEID significantly outperforms supervised and semi-supervised baselines with $\textbf{+2.56}$ percentage-point precision, comparable recall, and $\textbf{+0.90}$ percentage-point F1 -- particularly for the minority illicit class -- alongside $\textbf{+3.74}$ percentage-points higher accuracy and improvements in PR-AUC, while substantially reducing reliance on labeled data.