With more than 39 TB of publicly available engineering data, DrivAerNet++ fills a significant gap in available resources, providing high-quality, diverse data to enhance model training, promote generalization, and accelerate automotive design processes.

Real-time identification and quantification of greenhouse-gas emissions under transient atmospheric conditions is a critical challenge in environmental monitoring. We introduce a spatio-temporal inversion framework that embeds a deep-learning surrogate of computational fluid dynamics (CFD) within a sequential Monte Carlo algorithm to perform Bayesian inference of both emission rate and source location in dynamic flow fields. By substituting costly numerical solvers with a multilayer perceptron trained on high-fidelity CFD outputs, our surrogate captures spatial heterogeneity and temporal evolution of gas dispersion, while delivering near-real-time predictions. Validation on the Chilbolton methane release dataset demonstrates comparable accuracy to full CFD solvers and Gaussian plume models, yet achieves orders-of-magnitude faster runtimes. Further experiments under simulated obstructed-flow scenarios confirm robustness in complex environments. This work reconciles physical fidelity with computational feasibility, offering a scalable solution for industrial emissions monitoring and other time-sensitive spatio-temporal inversion tasks in environmental and scientific modeling.

We introduce the concept of "Design Agents" for engineering applications, particularly focusing on the automotive design process, while emphasizing that our approach can be readily extended to other engineering and design domains. Our framework integrates AI-driven design agents into the traditional engineering workflow, demonstrating how these specialized computational agents interact seamlessly with engineers and designers to augment creativity, enhance efficiency, and significantly accelerate the overall design cycle. By automating and streamlining tasks traditionally performed manually, such as conceptual sketching, styling enhancements, 3D shape retrieval and generative modeling, computational fluid dynamics (CFD) meshing, and aerodynamic simulations, our approach reduces certain aspects of the conventional workflow from weeks and days down to minutes. These agents leverage state-of-the-art vision-language models (VLMs), large language models (LLMs), and geometric deep learning techniques, providing rapid iteration and comprehensive design exploration capabilities. We ground our methodology in industry-standard benchmarks, encompassing a wide variety of conventional automotive designs, and utilize high-fidelity aerodynamic simulations to ensure practical and applicable outcomes. Furthermore, we present design agents that can swiftly and accurately predict simulation outcomes, empowering engineers and designers to engage in more informed design optimization and exploration. This research underscores the transformative potential of integrating advanced generative AI techniques into complex engineering tasks, paving the way for broader adoption and innovation across multiple engineering disciplines.

Due to the limited accuracy of 4D Magnetic Resonance Imaging (MRI) in identifying hemodynamics in cardiovascular diseases, the challenges in obtaining patient-specific flow boundary conditions, and the computationally demanding and time-consuming nature of Computational Fluid Dynamics (CFD) simulations, it is crucial to explore new data assimilation algorithms that offer possible alternatives to these limitations. In the present work, we study Physics-Informed Neural Networks (PINNs), Deep Operator Networks (DeepONets), and their Physics-Informed extensions (PI-DeepONets) in predicting vascular flow simulations in the context of a 3D Abdominal Aortic Aneurysm (AAA) idealized model. PINN is a technique that combines deep neural networks with the fundamental principles of physics, incorporating the physics laws, which are given as partial differential equations, directly into loss functions used during the training process. On the other hand, DeepONet is designed to learn nonlinear operators from data and is particularly useful in studying parametric partial differential equations (PDEs), e.g., families of PDEs with different source terms, boundary conditions, or initial conditions. Here, we adapt the approaches to address the particular use case of AAA by integrating the 3D Navier-Stokes equations (NSE) as the physical laws governing fluid dynamics. In addition, we follow best practices to enhance the capabilities of the models by effectively capturing the underlying physics of the problem under study. The advantages and limitations of each approach are highlighted through a series of relevant application cases. We validate our results by comparing them with CFD simulations for benchmark datasets, demonstrating good agreements and emphasizing those cases where improvements in computational efficiency are observed.

Effectively understanding and managing CVD requires advanced diagnostic tools capable of accurately characterizing complex hemodynamics within the cardiovascular system. While medical imaging modalities such as computed tomography (CT) and magnetic resonance imaging (MRI) provide high-resolution anatomical detail, they lack the capability to directly capture hemodynamics information (e.g., blood flow patterns, pressure, and wall shear stress fields) critical for understanding vascular function and pathology. To bridge this gap, image-based computational fluid dynamics (CFD) has emerged as a powerful computational paradigm that derives hemodynamic information from anatomical images via conservation laws. Although widely utilized in cardiovascular research, the clinical application of image-based CFD for diagnosis and surgical planning remains limited, largely due to the challenges associated with efficient and accurate model construction [2-4]. Constructing patient-specific vascular models for image-based CFD involves multiple steps, including image segmentation, geometry modeling, and mesh generation for the computational domain, all of which are critical to ensuring the fidelity of the final simulation results. However, the standard workflow heavily relies on manual methods, making it highly labor-intensive and time-consuming.

Merging natural language interfaces with computational fluid dynamics (CFD) workflows presents transformative opportunities for both industry and research. In this study, we introduce OptMetaOpenFOAM - a novel framework that bridges MetaOpenFOAM with external analysis and optimization tool libraries through a large language model (LLM)-driven chain-of-thought (COT) methodology. By automating complex CFD tasks via natural language inputs, the framework empowers non-expert users to perform sensitivity analyses and parameter optimizations with markedly improved efficiency. The test dataset comprises 11 distinct CFD analysis or optimization tasks, including a baseline simulation task derived from an OpenFOAM tutorial covering fluid dynamics, combustion, and heat transfer. Results confirm that OptMetaOpenFOAM can accurately interpret user requirements expressed in natural language and effectively invoke external tool libraries alongside MetaOpenFOAM to complete the tasks. Furthermore, validation on a non-OpenFOAM tutorial case - namely, a hydrogen combustion chamber - demonstrates that a mere 200-character natural language input can trigger a sequence of simulation, postprocessing, analysis, and optimization tasks spanning over 2,000 lines of code. These findings underscore the transformative potential of LLM-driven COT methodologies in linking external tool for advanced analysis and optimization, positioning OptMetaOpenFOAM as an effective tool that streamlines CFD simulations and enhances their convenience and efficiency for both industrial and research applications. Code is available at https://github.com/Terry-cyx/MetaOpenFOAM.

Recent advancements in neural operator learning are paving the way for transformative innovations in fields such as automotive aerodynamics. However, key challenges must be overcome before neural network-based simulation surrogates can be implemented at an industry scale. First, surrogates must become scalable to large surface and volume meshes, especially when using raw geometry inputs only, i.e., without relying on the simulation mesh. Second, surrogates must be trainable with a limited number of high-fidelity numerical simulation samples while still reaching the required performance levels. To this end, we introduce Geometry-preserving Universal Physics Transformer (GP-UPT), which separates geometry encoding and physics predictions, ensuring flexibility with respect to geometry representations and surface sampling strategies. GP-UPT enables independent scaling of the respective parts of the model according to practical requirements, offering scalable solutions to open challenges. GP-UPT circumvents the creation of high-quality simulation meshes, enables accurate 3D velocity field predictions at 20 million mesh cells, and excels in transfer learning from low-fidelity to high-fidelity simulation datasets, requiring less than half of the high-fidelity data to match the performance of models trained from scratch.

Computational Fluid Dynamics (CFD) is widely used in aerospace, energy, and biology to model fluid flow, heat transfer, and chemical reactions. While Large Language Models (LLMs) have transformed various domains, their application in CFD remains limited, particularly for complex tasks like post-processing. To bridge this gap, we introduce MetaOpenFOAM 2.0, which leverages Chain of Thought (COT) decomposition and iterative verification to enhance accessibility for non-expert users through natural language inputs. Tested on a new benchmark covering simulation (fluid flow, heat transfer, combustion) and post-processing (extraction, visualization), MetaOpenFOAM 2.0 achieved an Executability score of 6.3/7 and a pass rate of 86.9%, significantly outperforming MetaOpenFOAM 1.0 (2.1/7, 0%). Additionally, it proved cost-efficient, averaging $0.15 per case. An ablation study confirmed that COT-driven decomposition and iterative refinement substantially improved task performance. Furthermore, scaling laws showed that increasing COT steps enhanced accuracy while raising token usage, aligning with LLM post-training scaling trends. These results highlight the transformative potential of LLMs in automating CFD workflows for industrial and research applications. Code is available at https://github.com/Terry-cyx/MetaOpenFOAM

Real-time monitoring of critical parameters is essential for energy systems' safe and efficient operation. However, traditional sensors often fail and degrade in harsh environments where physical sensors cannot be placed (inaccessible locations). In addition, there are important parameters that cannot be directly measured by sensors. We need machine learning (ML)-based real-time monitoring in those remote locations to ensure system operations. However, traditional ML models struggle to process continuous sensor profile data to fit model requirements, leading to the loss of spatial relationships. Another challenge for real-time monitoring is ``dataset shift" and the need for frequent retraining under varying conditions, where extensive retraining prohibits real-time inference. To resolve these challenges, this study addressed the limitations of real-time monitoring methods by enabling monitoring in locations where physical sensors are impractical to deploy. Our proposed approach, utilizing Multi-Input Operator Network virtual sensors, leverages deep learning to seamlessly integrate diverse data sources and accurately predict key parameters in real-time without the need for additional physical sensors. The approach's effectiveness is demonstrated through thermal-hydraulic monitoring in a nuclear reactor subchannel, achieving remarkable accuracy.

Fluidic injection provides a promising solution to improve the performance of overexpanded single expansion ramp nozzle (SERN) during vehicle acceleration. However, determining the injection parameters for the best overall performance under multiple nozzle operating conditions is still a challenge. The gradient-based optimization method requires gradients of injection parameters at each design point, leading to high computational costs if traditional computational fluid dynamic (CFD) simulations are adopted. This paper uses a pretrained neural network model to replace CFD during optimization to quickly calculate the nozzle flow field at multiple design points. Considering the physical characteristics of the nozzle flow field, a prior-based prediction strategy is adopted to enhance the model's transferability. In addition, the back-propagation algorithm of the neural network is adopted to quickly evaluate the gradients by calling the computation process only once, thereby greatly reducing the gradient computation time compared to the finite differential method. As a test case, the average nozzle thrust coefficient of a SERN at seven design points is optimized. An improvement in the thrust coefficient of 1.14% is achieved, and the time cost is greatly reduced compared with the traditional optimization methods, even when the time to establish the database for training is considered.