The widespread use of neural surrogates in automotive aerodynamics, enabled by datasets such as DrivAerML and DrivAerNet++, has primarily focused on bluff-body flows with large wakes. Extending these methods to aerospace, particularly in the transonic regime, remains challenging due to the high level of non-linearity of compressible flows and 3D effects such as wingtip vortices. Existing aerospace datasets predominantly focus on 2D airfoils, neglecting these critical 3D phenomena. To address this gap, we present a new dataset of CFD simulations for 3D wings in the transonic regime. The dataset comprises volumetric and surface-level fields for around $30,000$ samples with unique geometry and inflow conditions. This allows computation of lift and drag coefficients, providing a foundation for data-driven aerodynamic optimization of the drag-lift Pareto front. We evaluate several state-of-the-art neural surrogates on our dataset, including Transolver and AB-UPT, focusing on their out-of-distribution (OOD) generalization over geometry and inflow variations. AB-UPT demonstrates strong performance for transonic flowfields and reproduces physically consistent drag-lift Pareto fronts even for unseen wing configurations. Our results demonstrate that AB-UPT can approximate drag-lift Pareto fronts for unseen geometries, highlighting its potential as an efficient and effective tool for rapid aerodynamic design exploration. To facilitate future research, we open-source our dataset at https://huggingface.co/datasets/EmmiAI/Emmi-Wing.

Nuclear fusion plays a pivotal role in the quest for reliable and sustainable energy production. A major roadblock to viable fusion power is understanding plasma turbulence, which significantly impairs plasma confinement, and is vital for next-generation reactor design. Plasma turbulence is governed by the nonlinear gyrokinetic equation, which evolves a 5D distribution function over time. Due to its high computational cost, reduced-order models are often employed in practice to approximate turbulent transport of energy. However, they omit nonlinear effects unique to the full 5D dynamics. To tackle this, we introduce GyroSwin, the first scalable 5D neural surrogate that can model 5D nonlinear gyrokinetic simulations, thereby capturing the physical phenomena neglected by reduced models, while providing accurate estimates of turbulent heat transport.GyroSwin (i) extends hierarchical Vision Transformers to 5D, (ii) introduces cross-attention and integration modules for latent 3D$\leftrightarrow$5D interactions between electrostatic potential fields and the distribution function, and (iii) performs channelwise mode separation inspired by nonlinear physics. We demonstrate that GyroSwin outperforms widely used reduced numerics on heat flux prediction, captures the turbulent energy cascade, and reduces the cost of fully resolved nonlinear gyrokinetics by three orders of magnitude while remaining physically verifiable. GyroSwin shows promising scaling laws, tested up to one billion parameters, paving the way for scalable neural surrogates for gyrokinetic simulations of plasma turbulence.

Neural surrogates and operator networks for solving partial differential equation (PDE) problems have attracted significant research interest in recent years. However, most existing approaches are limited in their ability to generalize solutions across varying non-parametric geometric domains. In this work, we address this challenge in the context of Polyethylene Terephthalate (PET) bottle buckling analysis, a representative packaging design problem conventionally solved using computationally expensive finite element analysis (FEA). We introduce a hybrid DeepONet-Transolver framework that simultaneously predicts nodal displacement fields and the time evolution of reaction forces during top load compression. Our methodology is evaluated on two families of bottle geometries parameterized by two and four design variables. Training data is generated using nonlinear FEA simulations in Abaqus for 254 unique designs per family. The proposed framework achieves mean relative $L^{2}$ errors of 2.5-13% for displacement fields and approximately 2.4% for time-dependent reaction forces for the four-parameter bottle family. Point-wise error analyses further show absolute displacement errors on the order of $10^{-4}$-$10^{-3}$, with the largest discrepancies confined to localized geometric regions. Importantly, the model accurately captures key physical phenomena, such as buckling behavior, across diverse bottle geometries. These results highlight the potential of our framework as a scalable and computationally efficient surrogate, particularly for multi-task predictions in computational mechanics and applications requiring rapid design evaluation.

Accurate simulations of the oceans are crucial in understanding the Earth system. Despite their efficiency, simulations at lower resolutions must rely on various uncertain parameterizations to account for unresolved processes. However, model sensitivity to parameterizations is difficult to quantify, making it challenging to tune these parameterizations to reproduce observations. Deep learning surrogates have shown promise for efficient computation of the parametric sensitivities in the form of partial derivatives, but their reliability is difficult to evaluate without ground truth derivatives. In this work, we leverage large-scale hyperparameter search and ensemble learning to improve both forward predictions, autoregressive rollout, and backward adjoint sensitivity estimation. Particularly, the ensemble method provides epistemic uncertainty of function value predictions and their derivatives, providing improved reliability of the neural surrogates in decision making.

The graph retrieval problem is to search in a large corpus of graphs for ones that are most similar to a query graph.

Modeling the evolution of physical systems is critical to many applications in science and engineering. As the evolution of these systems is governed by partial differential equations (PDEs), there are a number of computational simulations which resolve these systems with high accuracy. However, as these simulations incur high computational costs, they are infeasible to be employed for large-scale analysis. A popular alternative to simulators are neural network surrogates which are trained in a data-driven manner and are much more computationally efficient. However, these surrogate models suffer from high rollout error when used autoregressively, especially when confronted with training data paucity. Existing work proposes to improve surrogate rollout error by either including physical loss terms directly in the optimization of the model or incorporating computational simulators as'differentiable layers' in the neural network. Both of these approaches have their challenges, with physical loss functions suffering from slow convergence for stiff PDEs and simulator layers requiring gradients which are not always available, especially in legacy simulators. We propose the Hybrid PDE Predictor with Reinforcement Learning (HyPER) model: a modelagnostic, RL based, cost-aware model which combines a neural surrogate, RL decision model, and a physics simulator (with or without gradients) to reduce surrogate rollout error significantly. In addition to reducing in-distribution rollout error by 47%-78%, HyPER learns an intelligent policy that is adaptable to changing physical conditions and resistant to noise corruption. Scientific simulations have been the workhorse enabling novel discoveries across many scientific disciplines. However, executing fine-grained simulations of a scientific process of interest is a costly undertaking requiring large computational resources and long execution times.

Neural surrogates for partial differential equations (PDEs) have become popular due to their potential to quickly simulate physics. With a few exceptions, neural surrogates generally treat the forward evolution of time-dependent PDEs as a black box by directly predicting the next state. While this is a natural and easy framework for applying neural surrogates, it can be an over-simplified and rigid framework for predicting physics. In this work, we propose an alternative framework in which neural solvers predict the temporal derivative and an ODE integrator forwards the solution in time, which has little overhead and is broadly applicable across model architectures and PDEs. We find that by simply changing the training target and introducing numerical integration during inference, neural surrogates can gain accuracy and stability. Predicting temporal derivatives also allows models to not be constrained to a specific temporal discretization, allowing for flexible time-stepping during inference or training on higher-resolution PDE data. Lastly, we investigate why this new framework can be beneficial and in what situations does it work well.

A $\textit{neural surrogate of a program}$ is a neural network that mimics the behavior of a program. Researchers have used these neural surrogates to automatically tune program inputs, adapt programs to new settings, and accelerate computations. Researchers traditionally develop neural surrogates by training on input-output examples from a single program. Alternatively, language models trained on a large dataset including many programs can consume program text, to act as a neural surrogate. Using a language model to both generate a surrogate and act as a surrogate, however, leading to a trade-off between resource consumption and accuracy. We present $\textit{neural surrogate compilation}$, a technique for producing neural surrogates directly from program text without coupling neural surrogate generation and execution. We implement neural surrogate compilers using hypernetworks trained on a dataset of C programs and find that they produce neural surrogates that are $1.9$-$9.5\times$ as data-efficient, produce visual results that are $1.0$-$1.3\times$ more similar to ground truth, and train in $4.3$-$7.3\times$ fewer epochs than neural surrogates trained from scratch.

The radio wave propagation channel is central to the performance of wireless communication systems. In this paper, we introduce a novel machine learning-empowered methodology for wireless channel modeling. The key ingredients include a point-cloud-based neural network and a Spherical Harmonics encoder with light probes. Our approach offers several significant advantages, including the flexibility to adjust antenna radiation patterns and transmitter/receiver locations, the capability to predict radio power maps, and the scalability of large-scale wireless scenes. As a result, it lays the groundwork for an end-to-end pipeline for network planning and deployment optimization. The proposed work is validated in various outdoor and indoor radio environments.

Deep neural networks and subsymbolic learning have progressed In this paper, we propose that neurosymbolic programming tremendously over the past decade, producing increasingly - a principled combination of symbolic AI and deep learning promising results in the domain of program synthesis and (DL) for program representation, synthesis and optimization robot control [1]. While the use of robots in the manufacturing - can overcome this gap. We describe BANSAI (Bridging industries is ubiquitous, the current degree of industry adoption the AI Adoption Gap via Neurosymbolic AI), an approach for of artificial intelligence-based robot program synthesis and optimization the application of neurosymbolic programming to industrial remains very limited, particularly with regard to deep robotics. To that end, we contribute an analysis of the AI adoption learning (DL) [2]. This reflects a broader phenomenon in the gap, highlighting a mismatch between the requirements manufacturing industry, where artificial intelligence (AI) adoption imposed by the industrial robot programming and deployment lags behind the academic state of the art, with a "lack of process and the exigencies of state-of-the-art AI-based manipulation, substantial evidence of industrial success" at technology readiness program synthesis and optimization approaches.