Zhiwei Gao

Zhiwei Gao, Liu Yang, George Em Karniadakis

Existing evaluations of neural operators and in-context operator learning rely primarily on prediction error, but accurate output prediction does not guarantee the correct local dynamical structure. A model may match solutions while exhibiting incorrect sensitivities, distorted frequency response, spurious mode coupling, or unstable tangent behavior. We introduce a Jacobian-based spectral audit for in-context operator learning. For a fixed prompt, we differentiate the network output with respect to the query function and view the resulting Jacobian as a learned tangent operator. Projecting it onto Fourier modes, we obtain a local spectral characterization of the inferred operator, including frequency-dependent gains, phase structure, and cross-mode coupling. The audit complements standard prediction metrics by testing whether the model reproduces local mechanisms of the underlying PDE operator rather than only outputs. Across benchmarks, the audit reveals distinct operator-level phenomena, including phase transport, viscosity-dependent damping, nonlinear mode coupling, and reaction--diffusion stability structure. It also detects failures partially hidden by prediction-error metrics, including high-frequency degradation, incorrect phase recovery, and prompt--operator inconsistencies. Corrupted or internally inconsistent prompts lead to degraded tangent-operator structure even when pointwise predictions remain partially accurate. Our results suggest that prediction accuracy and local operator fidelity are distinct properties of learned neural operators. Our framework also provides a diagnostic for stability, sensitivity, and operator consistency.

Zhiwei Gao, George Karniadakis

Accurate surrogate construction for PDE-driven high-dimensional rare-event simulation is challenging when performance evaluations are expensive. Since a globally accurate surrogate may require many high-fidelity evaluations, adaptive importance sampling provides a natural localization tool: its evolving proposal distribution progressively identifies the failure-relevant region. Motivated by this observation, we propose a surrogate-assisted adaptive importance sampling framework that refines the surrogate locally along the evolving proposal, rather than over the entire input space. The surrogate combines an encoder with a neural network, providing a low-dimensional latent representation for both prediction and sample selection. At each adaptive iteration, candidates drawn from the current proposal are selected by a greedy latent-space rule balancing proximity to the estimated failure boundary and sample diversity. The selected samples are evaluated by the high-fidelity model and used to refine the surrogate, which then guides the subsequent cross-entropy-type adaptive proposal update. We establish one-step proposal stability bounds under local surrogate errors, together with surrogate-induced misclassification and finite-sample estimation error bounds. Numerical experiments on multimodal benchmarks and PDE-driven rare-event problems up to 100 dimensions show that the proposed method achieves accuracy comparable to true-model adaptive importance sampling while requiring substantially fewer high-fidelity evaluations.

Zhen Tian, Christos Anagnostopoulos, Qiyuan Wang et al.

Coastal water segmentation from satellite imagery presents unique challenges due to complex spectral characteristics and irregular boundary patterns. Traditional RGB-based approaches often suffer from training instability and poor generalization in diverse maritime environments. This paper introduces a systematic robust enhancement framework, referred to as Robust U-Net, that leverages HSV color space supervision and multi-modal constraints for improved coastal water segmentation. Our approach integrates five synergistic components: HSV-guided color supervision, gradient-based coastline optimization, morphological post-processing, sea area cleanup, and connectivity control. Through comprehensive ablation studies, we demonstrate that HSV supervision provides the highest impact (0.85 influence score), while the complete framework achieves superior training stability (84\% variance reduction) and enhanced segmentation quality. Our method shows consistent improvements across multiple evaluation metrics while maintaining computational efficiency. For reproducibility, our training configurations and code are available here: https://github.com/UofgCoastline/ICASSP-2026-Robust-Unet.

Qile Jiang, Zhiwei Gao, George Em Karniadakis

Large Language Models (LLMs) have emerged as powerful tools for tackling a wide range of problems, including those in scientific computing, particularly in solving partial differential equations (PDEs). However, different models exhibit distinct strengths and preferences, resulting in varying levels of performance. In this paper, we compare the capabilities of the most advanced LLMs--DeepSeek, ChatGPT, and Claude--along with their reasoning-optimized versions in addressing computational challenges. Specifically, we evaluate their proficiency in solving traditional numerical problems in scientific computing as well as leveraging scientific machine learning techniques for PDE-based problems. We designed all our experiments so that a non-trivial decision is required, e.g. defining the proper space of input functions for neural operator learning. Our findings show that reasoning and hybrid-reasoning models consistently and significantly outperform non-reasoning ones in solving challenging problems, with ChatGPT o3-mini-high generally offering the fastest reasoning speed.

Zhiwei Gao, George Em Karniadakis

Uncertainty quantification (UQ) plays a pivotal role in scientific machine learning, especially when surrogate models are used to approximate complex systems. Although multilayer perceptions (MLPs) are commonly employed as surrogates, they often suffer from overfitting due to their large number of parameters. Kolmogorov-Arnold networks (KANs) offer an alternative solution with fewer parameters. However, gradient-based inference methods, such as Hamiltonian Monte Carlo (HMC), may result in computational inefficiency when applied to KANs, especially for large-scale datasets, due to the high cost of back-propagation. To address these challenges, we propose a novel approach, combining the dropout Tikhonov ensemble Kalman inversion (DTEKI) with Chebyshev KANs. This gradient-free method effectively mitigates overfitting and enhances numerical stability. Additionally, we incorporate the active subspace method to reduce the parameter-space dimensionality, allowing us to improve the accuracy of predictions and obtain more reliable uncertainty estimates. Extensive experiments demonstrate the efficacy of our approach in various test cases, including scenarios with large datasets and high noise levels. Our results show that the new method achieves comparable or better accuracy, much higher efficiency as well as stability compared to HMC, in addition to scalability. Moreover, by leveraging the low-dimensional parameter subspace, our method preserves prediction accuracy while substantially reducing further the computational cost.

Elham Kiyani, Amit Makarand Deshpande, Madhura Limaye et al.

Fiber reinforcement and polymer matrix respond differently to manufacturing conditions due to mismatch in coefficient of thermal expansion and matrix shrinkage during curing of thermosets. These heterogeneities generate residual stresses over multiple length scales, whose partial release leads to process-induced deformation (PID), requiring accurate prediction and mitigation via optimized non-isothermal cure cycles. This study considers a unidirectional AS4 carbon fiber/amine bi-functional epoxy prepreg and models PID using a two-mechanism framework that accounts for thermal expansion/shrinkage and cure shrinkage. The model is validated against manufacturing trials to identify initial and boundary conditions, then used to generate PID responses for a diverse set of non-isothermal cure cycles (time-temperature profiles). Building on this physics-based foundation, we develop a data-driven surrogate based on Deep Operator Networks (DeepONets). A DeepONet is trained on a dataset combining high-fidelity simulations with targeted experimental measurements of PID. We extend this to a Feature-wise Linear Modulation (FiLM) DeepONet, where branch-network features are modulated by external parameters, including the initial degree of cure, enabling prediction of time histories of degree of cure, viscosity, and deformation. Because experimental data are available only at limited time instances (for example, final deformation), we use transfer learning: simulation-trained trunk and branch networks are fixed and only the final layer is updated using measured final deformation. Finally, we augment the framework with Ensemble Kalman Inversion (EKI) to quantify uncertainty under experimental conditions and to support optimization of cure schedules for reduced PID in composites.

Weize Zhang, Peyman Yadmellat, Zhiwei Gao

Motion planning is one of the key modules in autonomous driving systems to generate trajectories for self-driving vehicles to follow. A common motion planning approach is to generate trajectories within semantic safe corridors. The trajectories are generated by optimizing parametric curves (e.g. Bezier curves) according to an objective function. To guarantee safety, the curves are required to satisfy the convex hull property, and be contained within the safety corridors. The convex hull property however does not necessary hold for time-dependent corridors, and depends on the shape of corridors. The existing approaches only support simple shape corridors, which is restrictive in real-world, complex scenarios. In this paper, we provide a sufficient condition for general convex, spatio-temporal corridors with theoretical proof of guaranteed convex hull property. The theorem allows for using more complicated shapes to generate spatio-temporal corridors and minimizing the uncovered search space to $O(\frac{1}{n^2})$ compared to $O(1)$ of trapezoidal corridors, which can improve the optimality of the solution. Simulation results show that using general convex corridors yields less harsh brakes, hence improving the overall smoothness of the resulting trajectories.

Zhiwei Gao, Shuntaro Yada, Shoko Wakamiya et al.

Since the outbreak of coronavirus disease 2019 (COVID-19) in the late 2019, it has affected over 200 countries and billions of people worldwide. This has affected the social life of people owing to enforcements, such as "social distancing" and "stay at home." This has resulted in an increasing interaction through social media. Given that social media can bring us valuable information about COVID-19 at a global scale, it is important to share the data and encourage social media studies against COVID-19 or other infectious diseases. Therefore, we have released a multilingual dataset of social media posts related to COVID-19, consisting of microblogs in English and Japanese from Twitter and those in Chinese from Weibo. The data cover microblogs from January 20, 2020, to March 24, 2020. This paper also provides a quantitative as well as qualitative analysis of these datasets by creating daily word clouds as an example of text-mining analysis. The dataset is now available on Github. This dataset can be analyzed in a multitude of ways and is expected to help in efficient communication of precautions related to COVID-19.