Deep Neural Networks (DNNs) continue to grow in complexity with Large Language Models (LLMs) incorporating vast numbers of parameters. Handling these parameters efficiently in traditional accelerators is limited by data-transmission bottlenecks, motivating Compute-in-Memory (CiM) architectures that integrate computation within or near memory to reduce data movement. Recent work has explored CiM designs using Floating-Point (FP) and Integer (INT) operations. FP computations typically deliver higher output quality due to their wider dynamic range and precision, benefiting precision-sensitive Generative AI applications. These include models such as LLMs, thus driving advancements in FP-CiM accelerators. However, the vulnerability of FP-CiM to hardware faults remains underexplored, posing a major reliability concern in mission-critical settings. To address this gap, we systematically analyze hardware fault effects in FP-CiM by introducing bit-flip faults at key computational stages, including digital multipliers, CiM memory cells, and digital adder trees. Experiments with Convolutional Neural Networks (CNNs) such as AlexNet and state-of-the-art LLMs including LLaMA-3.2-1B and Qwen-0.3B-Base reveal how faults at each stage affect inference accuracy. Notably, a single adder fault can reduce LLM accuracy to 0%. Based on these insights, we propose a fault-resilient design, SafeCiM, that mitigates fault impact far better than a naive FP-CiM with a pre-alignment stage. For example, with 4096 MAC units, SafeCiM reduces accuracy degradation by up to 49x for a single adder fault compared to the baseline FP-CiM architecture.

Partial differential equations (PDEs) underpin the modeling of many natural and engineered systems. It can be convenient to express such models as neural PDEs rather than using traditional numerical PDE solvers by replacing part or all of the PDE's governing equations with a neural network representation. Neural PDEs are often easier to differentiate, linearize, reduce, or use for uncertainty quantification than the original numerical solver. They are usually trained on solution trajectories obtained by long time integration of the PDE solver. Here we propose a more sample-efficient data-augmentation strategy for generating neural PDE training data from a computer model by space-filling sampling of local "stencil" states. This approach removes a large degree of spatiotemporal redundancy present in trajectory data and oversamples states that may be rarely visited but help the neural PDE generalize across the state space. We demonstrate that accurate neural PDE stencil operators can be learned from synthetic training data generated by the computational equivalent of 10 timesteps' worth of numerical simulation. Accuracy is further improved if we assume access to a single full-trajectory simulation from the computer model, which is typically available in practice. Across several PDE systems, we show that our data-augmented synthetic stencil data yield better trained neural stencil operators, with clear performance gains compared with naively sampled stencil data from simulation trajectories.

In this work, we present the feedforward neural network based on the conservative approximation to the derivative from point values, for the weighted essentially non-oscillatory (WENO) schemes in solving hyperbolic conservation laws. The feedforward neural network, whose inputs are point values from the three-point stencil and outputs are two nonlinear weights, takes the place of the classical WENO weighting procedure. For the training phase, we employ the supervised learning and create a new labeled dataset for one-dimensional conservative approximation, where we construct a numerical flux function from the given point values such that the flux difference approximates the derivative to high-order accuracy. The symmetric-balancing term is introduced for the loss function so that it propels the neural network to match the conservative approximation to the derivative and satisfy the symmetric property that WENO3-JS and WENO3-Z have in common. The consequent WENO schemes, WENO3-CADNNs, demonstrate robust generalization across various benchmark scenarios and resolutions, where they outperform WENO3-Z and achieve accuracy comparable to WENO5-JS.

While there are many applications of ML to scientific problems that look promising, visuals can be deceiving. For scientific applications, actual quantitative accuracy is crucial. This work applies the rigor of numerical analysis for differential equations to machine learning by specifically quantifying the accuracy of applying different ML techniques to the elementary 1D Poisson differential equation. Beyond the quantity and discretization of data, we identify that the function space of the data is critical to the generalization of the model. We prove generalization bounds and convergence rates under finite data discretizations and restricted training data subspaces by analyzing the training dynamics and deriving optimal parameters for both a white-box differential equation discovery method and a black-box linear model. The analytically derived generalization bounds are replicated empirically. Similar lack of generalization is empirically demonstrated for deep linear models, shallow neural networks, and physics-specific DeepONets and Neural Operators. We theoretically and empirically demonstrate that generalization to the true physical equation is not guaranteed in each explored case. Surprisingly, we find that different classes of models can exhibit opposing generalization behaviors. Based on our theoretical analysis, we also demonstrate a new mechanistic interpretability lens on scientific models whereby Green's function representations can be extracted from the weights of black-box models. Our results inform a new cross-validation technique for measuring generalization in physical systems. We propose applying it to the Poisson equation as an evaluation benchmark of future methods.

We introduce (U)NFV, a modular neural network architecture that generalizes classical finite volume (FV) methods for solving hyperbolic conservation laws. Hyperbolic partial differential equations (PDEs) are challenging to solve, particularly conservation laws whose physically relevant solutions contain shocks and discontinuities. FV methods are widely used for their mathematical properties: convergence to entropy solutions, flow conservation, or total variation diminishing, but often lack accuracy and flexibility in complex settings. Neural Finite Volume addresses these limitations by learning update rules over extended spatial and temporal stencils while preserving conservation structure. It supports both supervised training on solution data (NFV) and unsupervised training via weak-form residual loss (UNFV). Applied to first-order conservation laws, (U)NFV achieves up to 10x lower error than Godunov's method, outperforms ENO/WENO, and rivals discontinuous Galerkin solvers with far less complexity. On traffic modeling problems, both from PDEs and from experimental highway data, (U)NFV captures nonlinear wave dynamics with significantly higher fidelity and scalability than traditional FV approaches.

In recent years, augmentation of differentiable PDE solvers with neural networks has shown promising results, particularly in fluid simulations. However, most approaches rely on convolutional neural networks and custom solvers operating on Cartesian grids with efficient access to cell data. This particular choice poses challenges for industrial-grade solvers that operate on unstructured meshes, where access is restricted to neighboring cells only. In this work, we address this limitation using a novel architecture, named Transported Memory Networks . The architecture draws inspiration from both traditional turbulence models and recurrent neural networks, and it is fully compatible with generic discretizations. Our results show that it is point-wise and statistically comparable to, or improves upon, previous methods in terms of both accuracy and computational efficiency.

As supervised fine-tuning of pre-trained models within NLP applications increases in popularity, larger corpora of annotated data are required, especially with increasing parameter counts in large language models. Active learning, which attempts to mine and annotate unlabeled instances to improve model performance maximally fast, is a common choice for reducing the annotation cost; however, most methods typically ignore class imbalance and either assume access to initial annotated data or require multiple rounds of active learning selection before improving rare classes. We present STENCIL, which utilizes a set of text exemplars and the recently proposed submodular mutual information to select a set of weakly labeled rare-class instances that are then strongly labeled by an annotator. We show that STENCIL improves overall accuracy by $10\%-24\%$ and rare-class F-1 score by $17\%-40\%$ on multiple text classification datasets over common active learning methods within the class-imbalanced cold-start setting.

We propose a data-driven and machine-learning-based approach to compute non-Galerkin coarse-grid operators in algebraic multigrid (AMG) methods, addressing the well-known issue of increasing operator complexity. Guided by the AMG theory on spectrally equivalent coarse-grid operators, we have developed novel ML algorithms that utilize neural networks (NNs) combined with smooth test vectors from multigrid eigenvalue problems. The proposed method demonstrates promise in reducing the complexity of coarse-grid operators while maintaining overall AMG convergence for solving parametric partial differential equation (PDE) problems. Numerical experiments on anisotropic rotated Laplacian and linear elasticity problems are provided to showcase the performance and compare with existing methods for computing non-Galerkin coarse-grid operators.

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We propose a data-driven mean-curvature solver for the level-set method. This work is the natural extension to $\mathbb{R}^3$ of our two-dimensional strategy in [DOI: 10.1007/s10915-022-01952-2][1] and the hybrid inference system of [DOI: 10.1016/j.jcp.2022.111291][2]. However, in contrast to [1,2], which built resolution-dependent neural-network dictionaries, here we develop a pair of models in $\mathbb{R}^3$, regardless of the mesh size. Our feedforward networks ingest transformed level-set, gradient, and curvature data to fix numerical mean-curvature approximations selectively for interface nodes. To reduce the problem's complexity, we have used the Gaussian curvature to classify stencils and fit our models separately to non-saddle and saddle patterns. Non-saddle stencils are easier to handle because they exhibit a curvature error distribution characterized by monotonicity and symmetry. While the latter has allowed us to train only on half the mean-curvature spectrum, the former has helped us blend the data-driven and the baseline estimations seamlessly near flat regions. On the other hand, the saddle-pattern error structure is less clear; thus, we have exploited no latent information beyond what is known. In this regard, we have trained our models on not only spherical but also sinusoidal and hyperbolic paraboloidal patches. Our approach to building their data sets is systematic but gleans samples randomly while ensuring well-balancedness. We have also resorted to standardization and dimensionality reduction and integrated regularization to minimize outliers. In addition, we leverage curvature rotation/reflection invariance to improve precision at inference time. Several experiments confirm that our proposed system can yield more accurate mean-curvature estimations than modern particle-based interface reconstruction and level-set schemes around under-resolved regions.