Neural Network

Physics-informed neural networks (PINNs) have emerged as a promising route to solve partial differential equations, yet they have struggled to reach the precision of classical solvers. The obstacle is increasingly understood to be one of optimisation, owing to the severely ill-conditioned loss landscape. We present $\textbf{DSGNAR}$: Doubly-Sketched Gauss-Newton with Adaptive Ratio, a scalable second-order optimisation framework that confronts this ill-conditioning and, in doing so, obtains unprecedented accuracy and speed. $\textbf{DSGNAR}$ couples a doubly-sketched Gauss-Newton model with a novel strategy that carefully controls both regularisation and step length. Across a suite of problems spanning nonlinear, chaotic, multi-scale, high-dimensional, and Navier-Stokes, the framework greatly improves on the state of the art: able to attain relative $\ell_2$ errors as low as $3\times10^{-16}$ in double precision, improve contemporary results by five orders of magnitude on the canonical Burgers' equation, and as much as eight orders on a high-dimensional Poisson problem, while remaining markedly faster. We further show that, in single precision, solutions at the limit of round-off error can be obtained very quickly: Burgers' equation to $\ell_2^{\text{rel}} = 4.75 \times 10^{-7}$ in under ten seconds. The framework is also robust to the choice of architecture, arithmetic precision, and initial hyperparameters. The code is available at https://www.github.com/wephy/physics-informed-neural-networks

This paper presents an intelligent control framework for trajectory tracking of robotic manipulators using radial basis function (RBF) neural networks for online disturbance estimation. The proposed control structure combines model-based nonlinear control with an adaptive neural approximator that compensates for parametric uncertainties, friction, and unmodeled dynamics. A Lyapunov-based adaptation law with projection guarantees boundedness of the closed-loop signals and convergence of the tracking error to a compact region. The primary objective of this work is to investigate how the choice of activation function within the RBF network influences transient behavior, steady-state accuracy, and control smoothness. The controller is implemented on a robotic manipulator. Experimental results demonstrate that although stability is preserved for all kernels, activation function selection significantly affects adaptation dynamics and practical tracking performance. These findings demonstrate that activation function selection acts as a structural design parameter in intelligent control, directly shaping adaptation dynamics and practical closed-loop performance.

Alzheimers disease (AD) is a brain disorder that develops slowly and mainly affects memory, thinking, language, and daily activities. It is one of the most common causes of dementia and creates many difficulties for patients as well as their families. In the early stage, the symptoms are often mild and may look like normal ageing. For this reason, many people are diagnosed late, when the disease has already progressed. At present, there is no complete cure for AD. Still, early detection can help doctors manage the condition better and take suitable steps at the right time. In this study, a machine learning model is proposed to detect the early stages of Alzheimers disease using clinical details, neuropsychological test scores, and neuroimaging-related measures. The data used in this work is collected from the Alzheimers Disease Neuroimaging Initiative (ADNI). As the dataset has missing values, iterative imputation is applied to fill them. The dataset also has class imbalance, which is handled using Borderline SVM-SMOTE. After that, feature selection is carried out using wrapper-based and embedded methods so that only important features are used for training. The selected features are divided into training and testing sets, and feature scaling is applied. A stacking ensemble model is developed using Logistic Regression, Extra Trees, Bagging KNN, and LightGBM as base classifiers. Along with this, an artificial neural network is also trained on the same dataset. The performance of these models is compared using precision, recall, F1-score, and AUC-ROC. This study aims to find the best classifier and also identify important biomarkers that may help in the early diagnosis of Alzheimers disease.

Modern automotive software architectures comprise large sets of mixed-criticality functions executing on shared multi-core platforms with strict real-time and end-to-end timing requirements. Sensor-to-actuator data propagation in such systems is typically expressed via cause-effect chains with worst-case data-age budgets. Job-level dependencies (JLDs) have been introduced to provide a schedule-agnostic mechanism for bounding the data age independently of the underlying scheduler. The state-of-the-art methods for synthesizing JLDs, however, do not check whether the produced JLDs are enforceable under a concrete scheduling policy or jointly schedulable at the system level. In this paper we propose the first machine-learning-based JLD synthesis method, built around a two-level Graph Neural Network with temperature-controlled sampling that learns the structural patterns connecting cause-effect chain configurations to their JLD solutions. Since learned outputs may not be correct by construction, we embed the GNN in a novel Generate-and-Verify architecture in which a safe DP data-age checker, together with a per-chain EDF feasibility checker and a system-level demand-bound test, accept or reject each candidate. We show that the ML-based generator substantially outperforms the original greedy heuristic while achieving orders-of-magnitude lower synthesis time, demonstrating that learned structural priors can effectively replace exponential propagation-tree enumeration on this class of real-time scheduling problems.

Although neural networks are remarkably effective, their underlying optimization principles remain theoretically elusive, often characterized by non-convex landscapes and stochastic heuristics. In this work, we propose a paradigm shift by replacing the discrete training problem of shallow neural networks with a well-posed continuum variational surrogate. We identify a family of $λ$-convex functionals over parameter densities in weighted Sobolev spaces and prove that these variational problems are globally well-posed, stable, and exhibit unexpected almost $C^3$ regularity. Unlike existing Wasserstein-based or Mean-Field approaches, which often face limited regularity and discretization challenges, our formulation provides direct access to elliptic regularity and convex analysis. This allows us to prove that the optimal parameter density can be obtained by solving a single linear system, bypassing iterative optimization entirely. We establish explicit generalization error controls at a rate of $1/α$ relative to the regularization parameter, and prove that finite-width networks of size $N$ achieve the continuum optimum at an $O(1/N)$ rate. This perspective bridges the gap between the Neural Tangent Kernel (NTK) and feature-learning regimes, providing a principled framework for understanding over-parameterization through the lens of variational calculus.

Muon has recently emerged as one of the most effective optimizers for training large neural networks, yet its empirical success has been explained from several different perspectives. In this paper, we propose a simple mechanistic interpretation: Muon can be understood as an implicit residual connection during training. Specifically, orthogonalizing the update can sacrifice some immediate gradient fidelity while improving representation preservation for downstream layers. We study this trade-off in controlled linear optimization settings, where Muon can learn representations that are slower to fit a local target but easier for downstream layers to exploit. Our results suggest a conceptual explanation for Muon and a design perspective for optimizers that balance local descent with downstream usability.

3D Gaussian Splatting (3DGS) has emerged as a powerful representation for high-fidelity rendering. However, existing assets often suffer from quality bottlenecks such as missing details and texture noise. Prior attempts to enhance these assets via 2D image processing introduce multi-view inconsistencies and high computational costs. In this paper, we propose a novel 3D-native refinement paradigm named AnchorSplat. AnchorSplat is an end-to-end deep network operating directly on 3D structures, avoiding the expensive optimization overhead of traditional 3D-2D-3D pipelines. Crucially, AnchorSplat is a strictly source-free solution requiring no original multi-view images. Central to the proposed method is the Point Anchor Mechanism, which enforces geometric consistency via local offset constraints, mitigating ill-posed mapping and gradient confounding. Furthermore, AnchorSplat replaces iterative densification with a single-pass multiplication mechanism. To facilitate research, we construct 3DGS-SR, the first large-scale benchmark for this task. Experiments demonstrate state-of-the-art results on the 3DGS-SR dataset, with throughput up to $10^5$ times faster than optimization methods. Notably, AnchorSplat exhibits robust zero-shot generalization across diverse data distributions, including generative model outputs and real-world scans.

The research proposes a multilayer Q-matrix-embedded neural network for cognitive diagnosis (M-QCDNet), which integrates the structural interpretability of cognitive diagnostic models (CDMs) with the deep learning neural network (NN). M-QCDNet structures the item-skill relationship using the Q-matrix as a structural prior, ensuring latent mastery profiles remain interpretable and consistent with cognitive theory, followed by the proposed loss function with an L2 penalty to penalize skills not aligned with the Q-matrix and to balance predictive performance and structural alignment. Corresponding evaluation matrices, the interpretable alignment-based metrics that quantify the degree to which predicted skill activations correspond to item-level skills, were further developed. M-QCDNet offers practical benefits for classroom practice, enabling early detection of learning difficulties and supporting mastery-based interventions. By embedding diagnostic validity into model design, M-QCDNet bridges psychometric transparency and neural flexibility, advancing interpretable, fair, and actionable AI for cognitive diagnostics.

Cardiovascular disease is still one of the main causes of death around the world. Acute myocardial infarction (MI), or heart attack, claims millions of lives each year. MI happens when blood flow to the coronary arteries is blocked or reduced, which causes permanent damage to the heart muscle. Without treatment, this can lead to cardiac arrest, where the heart stops pumping blood to the organs, resulting in organ failure and death. Even survivors often face serious problems like heart failure, pulmonary edema, and asystole. Research shows that 5 to 10 percent of survivors die within the first year after an MI, and nearly half need to be hospitalized again. Early thrombolytic treatment leads to better outcomes, so there is a clear need for faster and more accurate ways to diagnose MI. Right now, doctors usually review patient history and use their own experience to find the causes of MI. This process takes a lot of time and can be inconsistent. Detecting MI accurately and quickly can help patients take better care of themselves and prevent fatal events. In this study, we introduce an automated model to predict deadly outcomes of MI and help doctors understand important biomarkers linked to its complications. This approach aims to make diagnosis clearer, faster, and more affordable. The process includes preparing the data, filling in missing values, and handling imbalanced data using SVMSMOTE, ADASYN, and class-weighted methods. We use wrapper and embedded feature selection to find the most important variables, then scale the features for consistency. The model combines Logistic Regression, Random Forest, Light-GBM, and Bagging SVM, and is further improved with an artificial neural network to increase accuracy. We evaluate all models using precision, recall, and other key measures to find the best option for clinical use.

Recursive Feature Machines (RFMs) are a class of kernel machines that utilize the Average Gradient Outer Product (AGOP) as a mechanism for feature learning. They have been shown to effectively replicate the learning dynamics and feature representations of Feedforward Neural Networks (FNNs) across various settings. However, despite comparable capacity for feature learning and the similarities in the features they acquire, RFMs exhibit significantly lower performance than neural networks in certain data-corrupted scenarios. In this work, we investigate these limitations in mathematical problems. As a solution, we introduce a remarkably effective transformation applied to the training labels which promotes learning in noisy, complexly represented, and class-imbalanced data. This simple yet powerful adjustment enables RFMs to close the performance gap with FNNs and, in some cases, even surpass them.

Oscillatory neural networks (ONNs) have emerged as a promising neuromorphic architecture, leveraging coupled dynamical systems to perform computation and represent information through phase relationships. Their interactions can be designed to support intrinsic energy-minimizing dynamics, enabling tasks such as associative memory and optimization, and positioning them as a candidate architecture for continuous learning and inference. We present a neuromorphic primitive implemented using memristive edges with inhibitory couplings as a potential design for autonomous learning, and provide circuit simulation validation that the system is capable of denoising noisy inputs on an auto-associative task. While numerical Hopfield/Ising models routinely assume signed weights, neuromorphic implementations of ONNs often fail to realize negative weights due to device and circuit constraints. A practically implementable route to inhibitory (negative) weights is particularly valuable: it expands the class of attractor structures accessible to oscillator networks beyond purely synchronous couplings, and supports phase-coded memories where anti-phase constraints are not merely transiently enforced during training but can persist autonomously after release. We provide circuit simulations and theoretical analyses demonstrating that signed effective weights are necessary for anti-phase attractors to persist autonomously.

Algorithm development for radioisotope identification in mobile urban search scenarios face significant challenges from non-uniform backgrounds, momentary source encounters, and severe class imbalance between rare threat signatures and background measurements. We present a machine learning-based approach to this problem that converts list-mode gamma-ray data into two-dimensional waterfall spectrograms and applies computer vision architectures to the resulting images. Rather than treating waterfalls as conventional images, we employ a representation where consecutive time spectra can form input channels, similar to RGB channels in color images. This representation encodes both spectral and temporal information, enabling neural networks to more effectively learn patterns that distinguish source signatures from background fluctuations. We evaluate three architectures, a multilayer perceptron (MLP), convolutional neural network (CNN), and vision transformer (ViT), on the Radiological Anomaly Detection and Identification (RADAI) benchmark dataset. At a false positive rate of less than one false alarm per hour, our CNN outperforms the previous-best non-negative matrix factorization (NMF) method across all global metrics, achieving true detection, classification, and identification rates of 0.4334, 0.3965, and 0.2950 respectively, compared to 0.4151, 0.3611, and 0.2625 for NMF. At lower false positive rate constraints, the neural network approaches show comparable but ultimately lower performance than NMF, indicating opportunities for further research.

Mechanistic interpretability has produced a rich inventory of component-level analyses that characterise what neural-network components encode and how they interact. Their outputs, however, are not easily reusable: selectivity tables, circuit diagrams, and feature lists remain locked in per-study notebooks - non-composable, not queryable in natural language, and not directly actionable for downstream audit or intervention. We study the representation layer that sits between these analyses and downstream use as a bottleneck that can be evaluated independently, and introduce Manifestation Units, a typed tuple protocol (E, S, R, D, G) extended with attention-head primitives (T) for transformer architectures, organising per-component statistics into structured fields populated automatically and queried through hybrid retrieval. Instantiated across generative vision (beta-VAE), discriminative vision (CNN), and language (GPT-2), the protocol supports two findings: typed structure substantially outperforms unstructured baselines on retrieval, and CNN filters retrieved by the schema satisfy causal sufficiency and necessity criteria under matched-budget controls. The schema absorbs attention-head primitives without modification, set-recovers known IOI circuit members under retrieval-budget-matched controls, and reveals an irreducible two-field core (S+R) with remaining fields either redundant or actively interfering. We present this as schema infrastructure for mechanistic interpretability rather than frontier-scale validation.

We study layered models, including feedforward networks, ResNets, and transformers, by limiting each layer to a width of $d = 3$, i.e., $\mathbb{R}^3$ as representation space. This allows us to track how a neural network changes low-dimensional topological invariants through its layers. Just about any topological structure may be simplified or even trivialized by simply increasing dimension; e.g., any knot is equivalent to an unknot in $\mathbb{R}^4$. By restricting to $\mathbb{R}^3$, we not only isolate the effects of activation and depth from that of width, we work in a space that lends itself to easy visualization. We focus on linking number here, deferring other invariants like link groups, Milnor's $\barμ$-invariants, knot types, ambient cobordisms, to a sequel. We provide full proofs and empirical experiments to justify the following insights: When measured by their power to effect changes in linking numbers, the layer-skipping feature in ResNets is as powerful as the attention mechanism in transformers; both ResNets and transformers are strictly more powerful than feedforward neural networks with monotonic activations, which are in turn more powerful than invertible and flow-based models; but replacing monotonic activation with a nonmonotonic one elevates a feedforward network into the same expressivity class as ResNets and transformers. These results suggest that low-dimensional topology can be a useful tool to guide designs of AI architectures. We also generalize our results from $d = 3$ to arbitrary $d > 3$.

The performance of deep spiking neural networks (SNNs) often relies on batch normalization (BN). However, the advanced dynamic BN variants used in state-of-the-art models introduce runtime multiplications, which weaken the hardware-efficiency motivation of SNNs. To address this tension, we identify catastrophic firing-rate decay as a primary cause of severe performance degradation in normalization-free SNNs. Guided by this insight, this work proposes the Intrinsically Stable SNN (IS-SNN) architecture, which removes activation-normalization layers by enforcing signal homeostasis through topology-aware weight standardization and modified residual connections. By folding the standardization operations into static weights offline, IS-SNN removes the runtime statistics tracking and multiplications introduced by activation normalization, restoring an accumulation-oriented inference datapath. Comprehensive experiments show that IS-SNN achieves performance competitive with or superior to computationally expensive dynamic BN techniques across VGG, ResNet, and Transformer-based models. Notably, it achieves a competitive accuracy of 68.05% on ImageNet and overcomes the severe depth limitations of prior BN-free attempts. Together with a 96.4% reduction in FPGA lookup table resource consumption for neuron implementations, these results support IS-SNN as a practical framework for building accurate and hardware-friendly deep neuromorphic systems.

We investigate the problem of the robustness of a trained neural network to the perturbation of its input values. More specifically, we examine the interplay between the accuracy of the network, as measured by the mean squared error, and robustness. Accordingly, we present a robustness measure, which, with high probability, suggests an upper bound on the mean squared error of the network, with respect to an input data set, for a given perturbation of the input values of the network. The measure we propose is both simple and efficient to compute, treating the neural network as a black box. We provide experimental results on several real-world data sets showing the efficacy of the proposed method. We also introduce the concept of robustness curves, which allows us to further analyse robustness within and between data sets.

Partial differential equations on unbounded domains are challenging because the exterior region must be represented without excessive truncation error. Truncation-based methods often require problem-dependent artificial boundary conditions, while global spectral bases may be inefficient for localized structures, irregular geometries, or solutions with different near-field and far-field behaviors. We propose a domain-decomposed randomized neural network framework for such problems. Different randomized subnetworks are assigned to different spatial regimes: a near-field subnetwork captures local and geometric features, whereas a far-field subnetwork represents exterior decay. The subnetworks are coupled by boundary and interface conditions, and only the output-layer coefficients are solved from linear least-squares systems arising from Petrov--Galerkin or collocation formulations. We develop a Petrov--Galerkin method for semi-unbounded elliptic problems and a collocation method for fully unbounded, perforated, and time-dependent problems. A conditional bounded-parameter approximation result is proved in a broken Sobolev norm, together with an error decomposition covering approximation, empirical-consistency/quadrature, and least-squares optimization errors. Numerical experiments for Poisson and time-dependent Schrödinger equations demonstrate the accuracy and flexibility of the proposed method.

Artificial neural networks (NNs) and machine learning (ML) algorithms are poorly understood from a theoretical perspective, which makes it difficult to fully realize their potential and overcome their weaknesses. For instance, ML algorithms train NN weights by moving them along a low-dimensional subspace of their allowed values, but this implicitly low-dimensional learning structure is not properly exploited to improve training because its nature is not well understood. Moreover, trained NNs are easily confused by pervasive adversarial attacks whose theoretical underpinnings are still unclear. This thesis aims to improve our theoretical understanding of NNs and ML, with a particular focus on adversarial attacks and implicitly low-dimensional learning. For this purpose, we use mathematical tools from statistical mechanics to study different types of NNs and ways in which they can fit the data. In particular, we study two classes of models that fit the data with various degrees of learning and memorization: dense associative memory (DAM) and restricted Boltzmann machines (RBM). In the process, we investigate connections between different versions of these models that are useful to make analytical investigations more efficient.

We study binary classification problems whose decision sets are given by definable sets in o-minimal expansions of the real field. Motivated by cell decomposition of definable sets, we introduce traceable sets as a classical proxy for definable decision regions and analyze their approximation by ReLU neural networks. Under uniform bounds on the number of connected components and suitable $C^m$ extensions for the boundary functions, we prove that characteristic functions of traceable subsets of $[-1/2,1/2]^n$ can be approximated in $L^p$ to accuracy $\varepsilon>0$ by ReLU neural networks of size $\mathcal{O}(\varepsilon^{-p(n-1)/m})$, with depth independent of $\varepsilon$ and polynomially bounded weights. This establishes quantitative approximation rates for certain definable collections in o-minimal structures using ReLU neural networks. The same approach also yields the stated approximation rates for a subclass of definable maps $[-1/2,1/2]^n \to \mathbb{R}$. We then combine the approximation capabilities with entropy estimates for ReLU neural network classes to obtain statistical learning rates for empirical risk minimization with hinge loss. For $N$ uniformly distributed samples, the resulting classifiers achieve expected misclassification error of order $N^{-m/(m+pn-p)}$ up to an arbitrarily small polynomial loss.

Alternating recurrent events -- event-times of a specific nature that trigger a secondary refractory period -- occur in a wide-range of fields, including behavioral science, criminal justice, and biostatistics. Analysis of these events requires careful attention to the statistical nuance, including correlated observations and repeated outcomes subject to potential censoring. We develop an online dynamic prediction framework appropriate for predicting subsequent alternating recurrent events, by developing neural network theory for a statistical audiences and applying inverse probability weighted pseudo-observations. The proposed model is applied to dynamically predict alternating recurrent event-free time, showing good performance in simulation, and outstanding capability in application to predicting periods of low mood for first-year medical residents. We close with a discussion.

We present a comparative study of CUDA optimization strategies applied to forward and backward propagation in a shallow neural network. Three stacked optimizations are evaluated: (1) tiled shared memory with bank-conflict elimination via +1-column padding, (2) pre-transposed weight matrices for coalesced global memory access, and (3) a fused MatMul+ReLU kernel that eliminates intermediate global-memory round-trips. Experiments on an NVIDIA Tesla T4 (CUDA 13.0) across three dataset sizes show that the fully optimized implementation achieves a 1.41x speedup over the baseline CUDA version on the large dataset (25,600 samples), reducing execution time from 21.0s to 14.8s. Results are compared against a sequential CPU baseline and an OpenMP parallel implementation, demonstrating the effectiveness of memory-access optimization in GPU-accelerated deep learning primitives.

Neural networks are known to be susceptible to over-reliance on spurious correlations. However, the precise mechanism by which models exploit shortcut features is not fully understood, and algorithms to mitigate this behavior rely on as yet unjustified assumptions about the learned representations. In this work, we provide the first end-to-end theoretical characterization of spurious feature learning for two-layer ReLU neural networks trained by online minibatch SGD on the logistic loss. We consider data drawn from the high-dimensional Boolean hypercube with a quadratic signal function (namely XOR) and a linear spurious correlation. We show that SGD learns the spurious feature first, and exponentially fast. Moreover, the optimization dynamics couple the spurious and signal features, with a stronger spurious component inhibiting signal feature learning. Our analysis reveals precise phase transitions in the learning dynamics. In the first phase, alignment between the signs of the spurious feature and second-layer weight drives rapid growth of the spurious feature. In the second phase, large majority group margin slows learning and the signal feature remains suppressed. When the spurious correlation is maximally strong, we show theoretically that the spurious feature dominates even at the sample complexity threshold where XOR would be learned in isolation (i.e., if the spurious feature was absent). In contrast, when the correlation strength is constant, we provide preliminary empirical evidence that the model can eventually learn the XOR signal, although the spurious feature is not forgotten.

Data-driven material modeling techniques have gained significant attention due to their ability to capture complex constitutive behaviors beyond the limitations of classical material models. Physics-augmented neural networks (PANNs), which embed physical constraints directly into their architecture, combine the flexibility of machine learning with the reliability required for engineering simulations. This work presents an approach to integrate such network architectures into the explicit finite element solvers Simcenter Radioss and OpenRadioss (Siemens). A framework for transferring pretrained network architectures and their parameters to a standalone user material routine is developed. Networks are trained using PyTorch, though the procedure can be adapted to other frameworks such as TensorFlow, enabling the use of PANNs within existing finite element technology without requiring specialized solvers. Particular emphasis is placed on computational efficiency. The influence of network architecture on simulation performance is investigated, and strategies for reducing evaluation costs while preserving accuracy are discussed. Specifically, replacing the SoftPlus activation function with SQuarePlus is shown to reduce computational cost. A publicly available GitHub repository automates the generation of Fortran user material routines, requiring only the specification of the network architecture and trained parameters. An example impact simulation demonstrates that the generated PANN user material reproduces the nonlinear behavior characteristic of hyperelastic materials under large strains, providing a practical route toward machine-learning-based constitutive models in explicit finite element simulations.

We ask a simple question about decoder-only transformers: between which two layers is the probability of a predicted token actually produced? Existing layer-wise readout tools answer only approximately. The logit lens and its trained variant report a per-layer level of probability but give no additive decomposition; their estimates are biased and non-monotone across depth. Direct Logit Attribution and related residual-stream methods are additive, but only in logit space, the softmax nonlinearity breaks additivity in probability space, precisely the quantity one usually cares about. Layer Conductance integrates gradients per layer, but attributes each to its own baseline and so does not sum to the total change in prediction. We introduce IG-Lens, a telescoping application of Integrated Gradients along a single path through the hidden states from a baseline to the final layer. Crediting each segment to the layer it terminates at yields a layer-wise attribution whose sum is exactly the change in target probability, with the softmax inside the integration path rather than linearized away. Our default estimator credits each integration step its observed change in target probability (a prediction-aware reweighting in the spirit of IDGI) rather than its raw gradient. Because the readout is a one-dimensional probability, this collapses each segment to a telescoping sum of endpoint values, so completeness holds exactly (to floating point) at any step count, removing Riemann discretization error while suppressing steps that show gradient sensitivity without a change in output. We give the telescoping identity and its proof, verify completeness to floating point, and describe a single-pass batched implementation computing the full token-by-layer map without any backward call. Code: https://github.com/anhnda/IGLens.

Symmetry provides a quantum neural network structure, but on its own it does not keep the network trainable once noise is present. We ask which physical quantity decides whether the gradients of an equivariant circuit survive decoherence, and we answer with a compact training law. Working with U(1)-equivariant brickwork circuits that conserve a charge, we find that two distinct effects govern a trainable gradient. Causality fixes where the gradient can live, confining it to the backward light cone of the readout inside the active charge sector. Coherence then determines how fast it decays through the contraction of the off-diagonal sector modes that the projected readout can actually observe. We prove a light-cone reduction that pins the noiseless gradient to the sector-restricted cone with a lower bound independent of the total qubit number, and we define a readout-visible aligned coherence rate as a Rayleigh quotient of the noise generator along the gradient-carrying mode. A perturbative open-system analysis turns this rate into a leading-order training law. Density-matrix simulations then confirm that the finite-noise degradation follows a single accumulated variable built from noise depth and coherence contraction, with a coefficient of determination of 0.979. The sharpest test comes from a correlated-dephasing channel that has a large worst-case rate but a near-zero aligned rate. The law predicts no gradient loss for this channel, and none is seen. Sector coherence outperforms every standard channel diagnostic we compare it against, and the analysis identifies readout-visible sector coherence as the quantity that links equivariant architecture, open-system dynamics and noisy trainability.

A deep network's loss is invariant to continuous symmetries of its parameters: the logit shift, the ReLU rescaling, the LayerNorm scale, the per-head attention rotation. Adam's per-coordinate preconditioner drifts along each symmetry orbit, which pulls the trajectory off the symmetry quotient where the optimization lives and blurs the singular-learning rate the quotient makes readable. We build DDC, a Dead-Direction Conditioner that lifts a base optimizer into a $G$-equivariant one: it conditions the optimizer's state in the orbit decomposition of a $G$-invariant metric, so the trajectory stays a preconditioned gradient flow on the quotient $\barΘ= Θ/G$. The construction carries four architectural gauges (cross-entropy shift, ReLU and SwiGLU rescaling, LayerNorm and RMSNorm scale, and a per-head $O(d_{\rm head})$ attention rotation matched to RoPE), proves exactly equivariant on an Adam base, and composes with a Muon base through a gauge-equivariant orthogonaliser. Respecting the symmetry changes both the minimum the optimizer reaches and what it leaves measurable there. On a language model trained past the point of fit, DDCAdam resists the over-training collapse AdamW falls into, holding a validation-train loss gap of 0.67 against 5.88, and reads the dead-direction rate in 32 of 65 layer-by-observable cells where AdamW reads it in 7. A vision transformer trained from scratch reaches lower validation loss (1.71 against 2.12) while compressing spare feed-forward capacity a matched AdamW leaves intact. On a Muon base, where the rotation gauge composes exactly, DDCMuon groks ten of eleven seeds at depth 24 that a plain Muon never reaches. Built into the optimizer, a network's gauge symmetry sharpens the minimum it finds and turns that minimum's geometry into something the trajectory can measure.

Artificial neural networks (ANN) provide accurate continuous-valued representation, whereas spiking neural networks (SNN) offer event-driven temporal processing, yet both paradigms face limitations when value encoding and timing dynamics must be learned within a single computational structure. This paper introduces a network based on Unified Complex-valued Neuron (UCN), a new neural computational model that integrates continuous activation and phase-driven event generation through an asymmetric complex-valued state. In the UCN, magnitude encodes signal strength while phase governs intrinsic temporal evolution and valued spike emission. A foundational training framework combining backpropagation (BP) and backpropagation through time (BPTT) is first developed to optimize magnitude and phase pathways in a unified way. To reduce computational complexity, an event-driven adaptive phase learning (EAPL) rule is then introduced as a more efficient alternative. The proposed model is evaluated through object tracking and Lorenz attractor learning. Results demonstrate that UCN-based Network (UCNN) provides accurate, stable, and interpretable spatiotemporal learning while preserving sparse event-driven computation for neuromorphic and edge-AI applications.

Short-fiber thermoplastic (SFT) composites are increasingly employed in lightweight aerospace and automotive structures owing to their favorable strength-to-weight ratio, high production rates, and recyclability. Unlike continuous-fiber systems, the mechanical response of SFTs is governed by mesoscale interactions among fiber orientation, spatial clustering, and manufacturing-induced porosity. These features exhibit significant spatial variability in manufactured components and influence stiffness, damage initiation, and nonlinear deformation. Although mesoscale finite element (FE) models can resolve such heterogeneity, their application to realistic three-dimensional microstructures remains computationally intractable. A data-driven surrogate framework is proposed to predict the mechanical behavior of additively manufactured, compression-molded (AM-CM) SFTs. Microstructures reconstructed from micro-computed tomography data were discretized into Voronoi-based cells representing distinct fiber-interaction neighborhoods. Each cell was homogenized via nonlinear FE simulations incorporating matrix damage, and the resulting stress-strain responses trained a hybrid Graph Neural Network-Long Short-Term Memory (GNN-LSTM) architecture encoding microstructural topology and history-dependent mechanical evolution. The surrogate accurately predicts stiffness and stress-strain behavior of unseen microstructures, achieving $R^2\approx 0.98$ relative to high-fidelity FE simulations with over two orders-of-magnitude reduction in computational cost. Coupling the framework with experimentally calibrated damage laws demonstrates that fiber orientation, clustering, and porosity collectively govern local effective stiffness. The approach provides a physics-informed, data-efficient pathway to identify mechanically weak microstructural cells and accelerate digital-twin development for SFT components.

The flatness hypothesis suggests that flatness of the loss landscape, as measured by the eigenvalues of the loss Hessian, correlates with better neural network generalization. While various algorithms reduce these eigenvalues, most focus on procedural design, leaving it unclear how data distributions and NN parameters structurally determine directions toward flat minima. Characterizing these directions analytically is generally intractable. To overcome this mathematical difficulty, recent studies derived the Wolkowicz-Styan (WS) upper bound on the maximum eigenvalue of the cross-entropy loss Hessian in three-layer NNs. Although this upper bound is differentiable, its gradient was not derived. Therefore, we analytically derive the gradient of the WS upper bound to characterize directions leading to flat minima. Based on this, we propose Hessian Spectral Range (HSR) Regularization, which updates parameters along the steepest descent direction of the WS bound. Experiments demonstrate that HSR Regularization narrows the Hessian eigenvalue spectrum, avoids sharp minima and saddle points, and promotes convergence to flat minima. Although the applicability of this method is currently limited to cross-entropy loss and three-layer architectures, to the best of the authors' knowledge, this is the first study to report a closed-form gradient that promotes convergence to flat minima without numerical approximations. Therefore, the theoretical analysis of this gradient is expected to contribute to the further development of NNs.

Training operator-learning models for large-scale problems governed by partial differential equations (PDEs) is challenging due to the curse of dimensionality, memory constraints, and limited training data. These challenges arise in many scientific and engineering applications, including subsurface flow, climate modeling, and geological carbon storage (GCS). In this work, we propose a scalable operator-learning framework based on the Karhunen-Loeve Deep Neural Network (KL-DNN) and demonstrate its performance for modeling GCS. The model is trained on a dataset comprising 100 samples of large-scale simulations in a three-dimensional domain with 1.7 million cells and 50 time steps. The KL-DNN method constructs latent spaces using low-rank singular value decomposition of static properties and a nested Karhunen-Loeve expansion for dynamic pressure fields, enabling full-resolution predictions without subsampling or spatial coarsening. The KL-DNN model achieves an average root mean square error (RMSE) of 1.1 psi for pressure (0.04% relative error with respect to the average pressure in the domain) and RMSE of 0.0146 for CO2 saturation (5% relative error with respect to the average saturation inside the plume). The model requires 20 minutes of training on a single GPU, representing a 19% reduction in the pressure errors, 7% reduction in the saturation error, and a two-order-of-magnitude speedup compared to DeepONet trained on the same dataset. These results, along with inference time of less than one minute, establish the proposed model as a practical and accurate solution for large-scale PDE problems, enabling rapid uncertainty quantification, history matching, and real-time decision support.

The emergence of low-dimensional structures in the spectra of neural network weight matrices is a common empirical feature of trained models, but the dynamical origin of this phenomenon during learning remains an open problem. We formulate neural network training as the stochastic evolution of an initially random matrix ensemble, driven by stochastic gradient descent (SGD) updates that reshape the spectral bulk while amplifying signal strength. This induces a Baik-Ben Arous-Péché (BBP) transition during training, where isolated eigenvalues detach from the random bulk distribution, providing a dynamical framework for representation formation in high-dimensional learning dynamics. We demonstrate this in a solvable linear teacher-student model, where spectral evolution is analytically tractable and a phase diagram of trainability governed by the step size (or learning rate) and initial weight variance is obtained, and subsequently extend our formalism beyond the linear regime to nonlinear and stochastic settings. Numerical simulations in realistic settings support this picture, showing robust emergence of spectral alignment during training. Our results suggest that spectral analysis may provide a unified perspective of stochastic learning dynamics, linking trainability, optimisation hyperparameters, spectral phase transitions, and representation learning in neural networks.

Ab initio modeling has established Wigner's SU(4) and Elliott's SU(3) as dominant symmetries of the nuclear force in light and intermediate-mass nuclei. We ask whether they also govern nuclear binding across the entire chart. Our aim is not high-precision prediction but physical insight, through interpretable, symmetry-based models. From the SU(3) and SU(4) Casimir operators we construct three neural-network (NN) mass models: Feature-Informed NN (FINN) for point predictions, Gaussian-Informed NN (GINN) adding uncertainty quantification, and Wigner-Informed NN (WINN) -- a mass formula using the Casimirs as an operator basis. All are trained on AME2016 and validated on nuclei new to AME2020. The SU(4) operators alone cut the root-mean-square error (RMSE) by nearly half on train and test data, and by about a fifth on extrapolation, relative to the liquid-drop baseline -- showing that Wigner's symmetry carries predictive information beyond bulk properties. Despite its compact form, WINN reaches the lowest validation RMSE, 0.430 MeV -- competitive with state-of-the-art mass models -- which we read less as a benchmark than as evidence that its symmetry basis captures important physics. WINN further reveals i) an enhancement of the quadratic SU(4) Casimir near the neutron dripline, signaling restoration of Wigner's symmetry, and ii) an unexpected gain of the quartic operator in the superheavy region. We thereby elevate emergent symmetries from the hidden order within individual nuclei to a governing principle of the whole nuclear chart.

Early detection of oral cancer markedly improves clinical outcomes, yet specialized diagnostic tools remain scarce in low-resource settings. Smartphone-based screening is a scalable alternative but needs lightweight models that run within edge-hardware constraints. Hybrid classical-quantum architectures are emerging candidates for parameter-efficient learning, yet most rely on qubit hardware that needs cryogenic operation, unsuitable for edge deployment. Continuous-variable (CV) photonic quantum computing, which operates at room temperature, offers a complementary route. We investigate a hybrid classical-CV quantum classifier for oral cancer detection from smartphone images. The pipeline combines a MobileNetV1 feature extractor, principal component analysis to 16 dimensions, and a parameterized CV-QNN of displacement, interferometric, and Kerr gates on a photonic backend. We propose a simplified $Φ\circ D \circ U_1$ CV-QNN architecture that cuts trainable parameters 40-45% relative to the standard CV-QNN layer of Killoran et al. (2019a), and identify dimensionality-reduction and encoding-restriction strategies that mitigate barren plateaus, raising loss-gradient variance by roughly 58 orders of magnitude. Whether the simplified layer beats the full layer is width-dependent: the full layer holds a small but significant edge at two qumodes, whereas the simplified layer is significantly better at four qumodes using 44% fewer parameters. The strongest model, a four-qumode simplified CV-QNN with only 18 parameters, attains the highest validation AUC of all models, exceeds a 55-parameter classical baseline using 67% fewer parameters, and reaches 100% calibrated test accuracy across all seeds. These results support CV photonic quantum machine learning for parameter-efficient, room-temperature medical image classification and motivate progress toward edge quantum AI.

Understanding how performance scales jointly with model size and data is a central problem in modern machine learning. Existing theoretical works on scaling laws typically describe generalization as a function of data or compute, often in fixed-feature or infinite-width regimes and for online SGD. Here, we instead study how generalization scales with the number of trainable parameters and the number of samples in a feature-learning model. We analyze $\ell_2$-regularized empirical test error minimization in a quadratic two-layer network in a finite-sample setting with structured data. This setting allows for an explicit characterization of the generalization error as a function of the number of samples, model width, and regularization. Our results reveal a phase diagram with distinct scaling regimes as the number of parameters varies. In particular, the generalization error follows data-dependent power laws controlled by the spectral structure of the target. We further characterize the transitions between regimes, including the onset of interpolation, and their impact on generalization.

Physics-informed neural networks (PINNs) have recently emerged as a promising framework for addressing the Calderón inverse problem from limited boundary data. In this work, we revisit neural Calderón inversion by introducing multiscale boundary excitations based on randomized wavelet functions and investigating the role of Fourier-feature encoding (FFE) for representing sharp conductivity variations. We propose a physics-informed reconstruction framework that represents the unknown conductivity and the associated family of electric potentials with separate neural networks conditioned on the applied boundary excitations. The governing elliptic PDE is enforced through physics-informed residuals, while finite Dirichlet-to-Neumann (DtN) data are incorporated through boundary losses. Using synthetic data from a finite-difference forward solver, we evaluate the method on conductivity fields with inclusions, sharp interfaces, smooth profiles, and heterogeneous media. Results show that the framework recovers dominant conductivity structures from finite boundary measurements with relative errors between $3\%-12\%$ approximately. We show that FFE improves the reconstruction of localized sharp features, particularly for inclusions and interfaces, but are not universally optimal, with raw-coordinate networks performing competitively for smoother fields. These results highlight coordinate representations and boundary excitation design as key factors in neural Calderón inversion.

Jailbreak attacks bypass LLM safety alignment, yet their mechanisms remain poorly understood. We provide evidence that attacks do not comprehensively eliminate safety features, but instead selectively suppress specific attention heads. We identify two functionally differentiated types: Adversarially Compromised Heads (ACHs) concentrated in early layers, which are suppressed under attacks, and Safety-Aligned Heads (SAHs) in mid-layers, which maintain robust activations even when attacks succeed. Ablation studies support the causal role of ACHs and the contribution of SAHs to robust activations: suppressing a small number of ACHs is sufficient to induce jailbreak-like behavior on normally refused inputs, while removing SAHs substantially weakens mid-layer safety activations. Token-level attribution further shows that ACH suppression is driven specifically by attack-template tokens, providing a mechanistic account of why attacks can bypass refusal decisions through ACH suppression while leaving internal safety signals sustained by SAHs -- a phenomenon we term Robust Harmful Features. To validate the practical significance of this robustness, we show that simply reading these persistent activations -- without any training -- yields competitive aggregate detection performance with strong adversarial robustness.

We introduce a physics-constrained neural network for the rapid prediction of rigorous coupled-wave analysis outputs in the form of Jones matrices. Starting from energy conservation in lossless layered periodic structures, we use the fact that the scattering outputs lie on a Stiefel manifold. This energy constraint is enforced as a hard condition by projecting onto the manifold using differentiable symmetric orthogonalization. The resulting surrogate enforces energy conservation by construction while preserving differentiability for gradient-based inverse design. The performance and generality of the proposed approach are demonstrated through the inverse design of a diffractive waveguide combiner for augmented reality glasses.

In the optimization of neural networks, gradient dynamics are influenced by critical points that arise from the model's architecture. These critical points occur where the Jacobian of the model's parametrization is rank-deficient, and are the most pronounced singularities studied in Singular Learning Theory. We investigate such points in deep fully-connected networks with monomial activations via tools from polynomial algebra such as Mason's Theorem. We show that, for sufficiently large activation degree, criticality occurs precisely at subnetworks, i.e., at parameter configurations where some neurons are inactive or redundant. This offers a mathematical perspective on the implicit bias in deep neural networks, explaining the tendency of these models to converge toward simpler functions.

Deploying spiking neural networks (SNNs) on neuromorphic hardware demands aggressive synaptic pruning while preserving temporal computation integrity. Existing strategies either neglect neuronal criticality or rely on convex relaxations of the inherently combinatorial pruning problem whose fractional masks, upon binarisation, destroy accuracy at moderate-to-high sparsity. We present Criticality-Constrained Quadratic Pruning (CQP), a native PyTorch pipeline that fuses weight magnitude with surrogate-gradient criticality into an analytically exact importance metric, eliminating the rounding artefacts endemic to solver-based approaches. We formally characterise a continuous-relaxation trap wherein OSQP-solver fractional masks overshoot the intended sparsity by up to 12 percentage points (pp), precipitating a 44 pp accuracy collapse. We identify and remediate a zombie-weight failure mode in which Adam's first-moment tensors resurrect pruned synapses, violating the binary sparsity guarantee. An iterative schedule - prune, fine-tune with gradient masking, recompute criticality, and repeat - eliminates gradient staleness at high sparsity. A KL-divergence temporal analysis identifies a redundant simulation timestep, enabling a free 10% theoretical energy reduction without weight modification. On MNIST (60,000 training examples), CQP yields 95.6% accuracy at 90% sparsity versus 93.4% for magnitude pruning (+2.2 pp). A criticality-threshold sweep reveals an empirical criticality cliff: accuracy falls from 87.0% to 14.4% as the threshold reaches tau = 0.9, constituting a quantitative SNN-level analogue of the Critical Brain Hypothesis. Combined weight sparsification and temporal truncation yield a compound 73% reduction in per-inference energy at 70% sparsity, confirming the practical value of the proposed pipeline for neuromorphic deployment.

The widespread adoption of Artificial Intelligence (AI) has led to increasing concerns about energy consumption, yet there is a lack of standardized methodologies to accurately estimate AI inference energy consumption, particularly across various tasks and architectures. In this study, we propose a task independent, layer-wise energy estimation model for AI architectures. Our model is evaluated on a large dataset of more than 100,000 layers for 295 neural network architectures across 3 widely-used tasks and 3 distinct hardware platforms. Our approach achieves a median error of 19.6%, outperforming state-of-the-art methods. We further show that layer-wise decomposition generalize to new tasks without complete retraining, by leveraging shared layers across architectures. It offer tools, insights and a precise methodology to empower stakeholders in designing energy-efficient AI systems.

Vision-Language-Action (VLA) models have become a dominant paradigm for embodied intelligence. However, most existing approaches are built on large-scale transformers, resulting in substantial inference latency and energy consumption that limit their practical deployment in low-power, real-time scenarios. We propose SpikeVLA, a spiking VLA architecture for embodied navigation with energy-efficient inference, consisting of three key components. (i) A spiking vision encoder, Spike-V, that replaces dense continuous layers with event-driven spiking layers to reduce the energy consumption of visual representation learning. (ii) A multi-modal spiking large language model, Spike-L, that reformulates cross-modal reasoning with spiking dynamics and token-level event-driven sparsity to further lower computational cost. (iii) A spiking action policy network, Spike-A employs Laplacian-kernel population coding with a multi-layer fully connected SNN, and decodes spiking activities into stable and robust continuous control with energy-efficient inference under low-power constraints. Experiments on navigation and robotic control tasks show that SpikeVLA significantly reduces energy consumption and computational cost while maintaining competitive performance, highlighting its potential for low-power, real-time embodied intelligence.

Continuous attractor neural networks (CANNs) are the canonical computational framework for how the brain encodes continuous variables such as spatial position, head direction, and movement direction, and explain the activity of hippocampal place cells, entorhinal grid cells, and head-direction cells. CANN research, however, is fragmented: most results rest on lab-specific implementations, general-purpose simulators lack CANN-specific abstractions, and the path from spike trains to attractor geometry in real recordings lacks a standardized toolkit. Here, we present a comprehensive open-source toolkit that unifies the full CANN research workflow. It combines three tightly integrated components: 1) canns, a Python library on BrainPy/JAX that provides standardized 1D/2D CANNs, spike-frequency-adaptation variants, grid cell networks, hierarchical path-integration models, and brain-inspired attractor architectures, together with curated datasets, task generators, an analyzer module and trainer modules for biologically plausible plasticity; 2) canns-lib, a Rust acceleration backend delivering hundreds-of-times speedups for spatial-navigation workloads and modest gains for Ripser-based persistent homology; 3) ASA (Attractor Structure Analyzer), a PySide6 pipeline applying persistent homology and cohomology to experimental neural recordings to detect ring-like and toroidal attractor signatures in real data. The toolkit ships with full-detail reproducible pipelines that recover recent CANN results including SFA-driven anticipative tracking, theta sweeps in head-direction/place/grid systems, and hierarchical path integration.

6-DoF LiDAR-based localization is a fundamental capability for autonomous systems operating in large-scale outdoor environments. Many deep-learning-based localization methods have achieved promising performance so far. However, as one of the always-on modules competing for limited on-board computational resources, the localization module is expected to consume only a small portion of the overall compute budget. Most existing learning-based methods are still too heavy for this purpose. In contrast, binary neural networks (BNNs) offer an appealing solution, but the 1-bit compression causes severe information loss and performance drop. In this paper, we address this challenge by proposing Binarized LiDAR-based Localization (BiLoc), the first binary neural network framework for 6-DoF LiDAR localization. Specifically, we reinterpret the training of BNNs from the perspective of the information-bottleneck principle, aiming at retaining minimal yet sufficient representations for pose estimation while suppressing redundant variations. And we introduce an auxiliary objective that adaptively regulates information retention in the binary encoder, effectively mitigating the information loss caused by binarization. This auxiliary objective provides additional optimization signals that compensate for the limited representational capacity and the gradient mismatch inherent in BNNs. Extensive experiments on large-scale outdoor LiDAR datasets demonstrate that BiLoc establishes a new state of the art for LiDAR localization with BNNs.

We introduce a neural network-based framework for learning time series estimators through a process we term decision-theoretic pretraining. Analysts specify a generative world, a distribution over data-generating processes, and a target decision objective. A neural network trained on stratified simulations from this world approximates the corresponding optimal decision rule, yielding a neural estimator that provides forecasts, parameter estimates, predictive intervals, or model-selection for zero-shot inference on previously unseen time series. The joint specification of the generative world and objective enables the estimators to directly approximate process-level, finite-sample properties: near-optimal risk, bias control, minimax performance, and uniform calibration. Our experiments demonstrate that these neural estimators can outperform traditional baselines such as maximum likelihood estimation and model selection via AICc, for the same model structural model classes. Furthermore, even when trained purely on simulations of structural models, they achieve competitive or state-of-the-art forecasting accuracy on major real-world benchmarks, compared with statistical, neural or large pre-trained models. We illustrate the framework by addressing two longstanding challenges: finite-sample bias and miscalibration in AR(p) models, and the forecast combination puzzle. These applications highlight the approach's main advantage: its ability to approximate solutions to analytically intractable or computationally prohibitive time series problems, including complex structural equations or optimality criteria. Ultimately, by enabling explicit control over decision-theoretic trade-offs, the framework equips analysts with highly efficient estimation tools tailored to their specific analytical needs.

The softmax activation in multihead attention (MHA) is the de facto standard for attention-based models in visual perception tasks. However, standard softmax can produce noisy attention patterns that dilute relevant features and degrade its performance. In this paper, we propose Denoising Attention or DnA, in which, first, a positive query identifies which image features belong to the correct class, and a negative query identifies closely associated but irrelevant image features. DnA then projects these interactions into two distinct subspaces with larger principal angles, promoting subspace separation and improved discriminability. Using a ViT-B backbone, our proposed DnA achieves an absolute gain of 0.8% on ImageNet-1K compared to the baseline. We further show improvements across multiple visual understanding tasks, including video understanding with video transformers (1.8%) and video LLMs (0.5%). Our extensive empirical analyses justify the design choices involving two interacting subspaces and the denoising effect of DnA.

Event-based Temporal Graph Neural Networks (ETGNNs) have demonstrated strong performance across a wide range of applications, including social network analysis, epidemic tracing, recommender systems, and political event forecasting. However, their increasing complexity poses significant challenges for explainability. Existing explanation methods focus only on a subset of the information flow within ETGNNs, typically tracing contributions from the event-related embeddings to the output. Consequently, they overlook the important pathways through event-induced variables, which mediate interactions between nodes and thereby play a central role in capturing long-range temporal dependencies. To overcome this limitation, we propose a novel attribution method that analyzes the entire information flow through all event-associated variables. Our method is built upon the recent Normalized Relevance Measure (NRM) framework, which enables explicit quantification of information flow originating from event embeddings as well as information flow passing through event-induced variables. It also ensures comparability of latent variables across layers, and supports higher-order analysis of interactions between events. To handle the architectural complexity of ETGNNs, we extend the NRM framework with a modular decomposition procedure that facilitates the systematic construction of relevance structure for complex neural architectures. We evaluate our approach on two synthetic datasets for epidemic tracing and social dynamics, as well as a real-world dataset of political event networks. Our qualitative and quantitative experiments show that our method consistently outperforms existing explanation approaches while producing more human-interpretable explanations.

Graph neural networks have moved from a niche representation-learning technique to the default model class wherever data carry relational structure. The interesting question is no longer whether message passing helps on a given dataset, but where graph structure earns its computational cost and where it does not. This survey organises the field around a single design space, derives the spectral and spatial formulations from shared first principles, and connects expressive power to the Weisfeiler-Leman hierarchy with explicit statements of what current architectures can and cannot separate. Against that methodological backbone we examine twelve application domains, among them recommendation and social networks, knowledge graphs and language-model integration, drug discovery and molecular property learning, healthcare and neuroscience, computer vision, traffic and urban computing, power and renewable-energy systems, wireless and sixth-generation networks, fraud and cybersecurity, industrial prognostics, materials science, and climate modelling. For each domain we specify the graph-construction choices and their costs, identify which architecture families dominate and why, and separate reported gains from artefacts of weak baselines or favourable splits. A cross-domain comparison exposes recurring patterns: heterophily and scale undercut the same models almost everywhere, temporal graphs remain harder than their static counterparts, and the architectures that top public leaderboards are seldom the ones that reach deployment. We treat over-smoothing, over-squashing, robustness, distribution shift, fairness, and explainability not as a closing checklist but as the constraints that decide adoption.

We develop the fTNN, a deterministic tensor neural network subspace method for problems involving the fractional Laplacian on bounded domains, taking the fractional Poisson equation and time-dependent fractional advection-diffusion equation as typical representatives. The work employs a geometry-adapted integration split featuring a spatially dependent near-field radius, which decomposes the fractional Laplacian into three contributions: a singular near field, a regular interior far field, and an analytical exterior far field. Then the singular radial integrals are treated by Gauss-Jacobi quadrature, the regular radial integrals by Gauss quadrature, and the angular variables by deterministic angular quadrature, yielding a fully deterministic integration framework of the fractional Laplacian operator. To accurately resolve low-regularity solutions and the associated loss functional, we construct boundary-singularity-aware trial functions enriched with explicit boundary features, and propose two strategies for automatically selecting the leading exponent and evaluating the loss function from the singularity structure induced by the fractional operator, or jointly by the fractional operator and the source term. For time-dependent fractional PDEs, we design a spatiotemporally separable neural network that factorizes the time-space residual into a sum of low-dimensional temporal and spatial integrals, and we integrate this representation with an alternating neural network subspace optimization strategy for efficient training. Numerical experiments show that the proposed framework attains high accuracy on the tested benchmarks and improves substantially over existing fPINN and Monte Carlo baselines, particularly for problems with strong boundary singularities and long-time simulations.

Hamiltonian Neural Networks (HNNs) integrate physical priors into neural models by learning a system's Hamiltonian, improving generalization and sample efficiency. Identifying the system Hamiltonian from noisy observations of state variables is a challenging task. For simulations to faithfully reflect the long-term behavior of Hamiltonian systems, especially energy conservation, it is essential to use symplectic integrators, which preserve the system's geometric structure. This fidelity comes at a cost: implicit symplectic integrators are more computationally intensive and make backpropagation through the ODE solver non-trivial. However, by leveraging the fact that symplectic discretizations of the adjoint system yield the same sensitivities associated by backpropagation, we obtain an efficient method of training the Neural Network parameters. In our work, we explore this alternate method of HNN training under noisy observation of trajectories with our HNN model based on an implicit symplectic integrator. Computationally, a predictor-corrector based ODE solver and fixed point iteration help to mitigate the computational cost of the implicit timestepping, resulting in more efficient generation of gradient updates. We showcase the numerical advantage, in experiments, in system identification and energy preservation on a range of non-separable, chaotic systems and the efficient computation and memory complexity of our method. We also observe that the post-processing of the learned Hamiltonian using backward error analysis yields a modified Hamiltonian that is a more accurate approximation of the true Hamiltonian without the need to use more accurate discretizations of the flow map.

Graphs provide a natural language for relational data in chemistry, biology and optimisation. Graph neural networks (GNNs) have driven much of the recent progress in learning from such data through message passing, a single primitive that generalises convolution and attention. Quantum counterparts have been proposed, but with limited connection to message passing and few guarantees on performance or scalability. More broadly, the trainability of variational quantum circuits is a recognised bottleneck for their wide applicability, and pre-training has emerged as one way to address it. Yet for a quantum model to be useful, it must offer expressivity guarantees along with demonstrable scalability. Here we show how a quantum graph neural network can be built to perform message passing, to be permutation equivariant, and to sit at a chosen level of the Weisfeiler-Leman hierarchy, the standard measure of how finely a model can tell graphs apart. We show that, as for classical GNNs, the training can be done first on small graph instances, allowing for a pre-training that can mitigate usual training issues, and its output can be read out at a cost that stays low as the graph grows. We validate the framework in large-scale simulations of up to 56 qubits across three datasets, on synthetic graphs that ordinary message passing cannot separate, on molecular property prediction, and on the travelling salesperson problem. Our framework opens a path for near-term quantum algorithms with theoretical guarantees and practical scalability, bringing the principles of graph learning into quantum circuit design.

Deploying large language models (LLMs) on Industrial Internet of Things (IIoT) edge devices demands extreme compression, yet existing structured pruning methods collapse at high compression ratios due to one-shot importance estimation, and their cross-architecture behavior remains unpredictable. This article presents a cascaded multi-granularity pruning framework that removes layers, attention heads, and feed-forward channels in coarse-to-fine order, with lightweight low-rank recovery between stages to re-estimate component importance. An information-theoretic analysis motivates this ordering, and the Structural Independence Assumption (SIA) is formalized as a checkable condition predicting whether per-component pruning criteria are reliable for a given architecture: Multi-Head Attention (MHA)+GELU designs satisfy the SIA, whereas Grouped Query Attention (GQA)+SwiGLU designs violate it. On bearing fault diagnosis spanning 88M to 6.25B-parameter models, the framework extends achievable compression to 13.8 times on MHA+GELU architectures with 83.82% accuracy (+3.70 percentage points (pp) over the strongest baseline), while exposing a ~74pp accuracy collapse on GQA+SwiGLU architectures that violate the SIA. Deployed on an industrial slewing bearing fault diagnosis platform with NVIDIA DGX Spark, compressed models reduce inference latency by up to 67.2% and peak memory by 62.5%, demonstrating viability for IIoT edge inference.

Sphere neural networks have achieved symbolic level syllogistic reasoning without training data, raising the question of where the limit of the scaling law for logical reasoning lies, i.e., whether data-driven machine learning systems can achieve the same level by increasing training data and training time. We show two methodological limitations that prevent supervised deep learning from reaching the symbolic-level syllogistic reasoning: (1) training data can not distinguish all 24 types of valid syllogistic reasoning; (2) end-to-end mapping from premises to conclusion introduces contradictory training targets between neural components for pattern recognition and logical reasoning. Beside theoretical analysis, we experimentally illustrate that Euler Net cannot achieve rigorous syllogistic reasoning. We further challenge the most recent ChatGPTs (GPT-5-nano and GPT-5) to determine the satisfiability of syllogistic statements in four surface forms (patterns): words, double words, simple symbols, and long random symbols, showing that surface forms affect the reasoning performance and that ChatGPT GPT-5 may reach 100% accuracy but still provide incorrect explanations. As empirical training processes are stopped after achieving 100% accuracy, we conclude that supervised machine learning systems will not attain the rigour of symbolic logical reasoning.

Symmetries are important for many deep learning tasks, ranging from applications in the sciences to medical imaging. However, there is an ongoing debate about whether to impose symmetry constraints on the neural network architecture (yielding equivariant neural networks) or learn them from augmented training data. Although equivariant networks are well-studied theoretically, much less is known about data augmentation, since analyzing augmentation requires control over the training dynamics. Inspired by recent results that show that augmented infinite deep ensembles are exactly equivariant, we study data augmentation for Bayesian neural networks (BNNs) trained with variational inference. We focus on variational distributions in the exponential family and derive conditions under which exact equivariance is reached. We furthermore obtain bounds on the equivariance error and introduce three novel symmetrization techniques which boost the effect of data augmentation in this setting. We conduct extensive numerical experiments which show that one of our symmetrization methods (orbit expansion) outperforms the baseline in both equivariance and overall performance. Our code is available at github.com/dmw1998/augment-BNNs

Several theoretical works have tried to explain the adversarial vulnerability of deep neural networks through properties of high-dimensional geometry. However, the assumptions underlying these works are rarely examined empirically, and systematic evidence remains limited. In this work, we present a systematic study of the role of input dimensionality in both the emergence and the targeted control of adversarial examples. We first analyse the scope and limitations of existing theoretical frameworks based on concentration of measure, showing that real image classes exhibit strong empirical localization, beyond what such theories typically assume. We then conduct an extensive empirical evaluation across hierarchical image datasets spanning a wide range of input dimensionalities and diverse neural architectures. Our results consistently show that adversarial examples become easier to construct as dimensionality increases. We also investigate how input dimensionality affects the additional difficulty of crafting targeted adversarial examples. In particular, we provide theoretical arguments showing that high-dimensional geometry implies that enforcing a specific target label entails only a limited additional distortion compared to untargeted attacks. We corroborate this insight through extensive experiments, demonstrating that the gap between targeted and untargeted perturbations remains small and further narrows as input dimensionality increases. While, taken together, our findings establish high input dimensionality as a fundamental factor underlying the emergence and targeted control of adversarial examples, whether this phenomenon primarily arises from the interplay between high-dimensional geometry and data distributions or from the architectural properties of deep neural networks remains an open question.

Floods frequently impact regions around the world. Rapid and accurate flood detection is crucial for emergency response and timely mitigation of human and economic loss. The expanding availability of satellite data and advances in artificial intelligence have enhanced monitoring of environmental hazards, but many flood events remain challenging to detect because cloud cover obscures optical satellite imagery. Rambour et al. introduced the SEN12-FLOOD dataset and extracted per-image features using a ResNet-50 convolutional neural network backbone, then fed these features into a gated recurrent unit network to show that temporal information can substantially improve accuracy compared to single-image baselines. More recently, Chamatidis et al. showed that a vision transformer can achieve strong performance with popular convolutional architectures. However, these models typically function as opaque black boxes, making it difficult to interpret their decision boundaries, learned features, and internal reasoning, especially in safety-critical domains like remote sensing. In contrast, topological data analysis (TDA) provides a mathematically grounded framework for capturing global structural features of data. TDA has emerged as a powerful tool for analyzing complex imagery, especially imagery with geometrically interpretable structures, of which floods are a prime candidate. In this work, we systematically evaluate topological descriptors for flood detection using the open-source SEN12-FLOOD dataset. By extracting topological features from each image and incorporating them into neural networks, we demonstrate that topological descriptors carry meaningful flood signals independently and complement existing networks to yield more robust and interpretable flood detection systems.

Modern neural network training relies on optimizers such as Adam and Muon which act on each weight matrix as a single object. Yet every weight matrix carries two distinct quantities -- a \emph{magnitude} and a \emph{direction} -- and all optimizers stepping in the matrix as a whole couple their dynamics: the directional change from an update depends on the current magnitude, while the magnitude drifts as a byproduct of learning the direction, so neither is governed directly by the learning rate. Typical training therefore leans on surrounding recipes such as weight decay and warmup to keep learning stable at scale, though these regulate the coupling only indirectly; other recent methods instead constrain the weight to a fixed-norm sphere, but add no learnable magnitude, leaving scale control to normalization layers alone. We propose \emph{Magnitude--Direction (MD) Decoupling}, an optimizer modification that factorizes each weight into a fixed-norm direction on a hypersphere and learnable per-row and per-column magnitude gains, updated at separate learning rates, all while the model still sees a single fused weight tensor. The method is agnostic to the base optimizer and removes the need for weight decay and warmup. Across both Adam and Muon, MD Decoupling improves on well-tuned baselines, transfers the optimal LR across model width without retuning, and continues to help at scale on large Mixture-of-Experts (MoE) models. Treating magnitude and direction as separately controlled quantities thus yields more predictable training dynamics and a simple, broadly applicable improvement to modern optimizers.

To address data overload and inefficient shape-level annotation in robotic visual inspection, this paper proposes a hardware-software integrated optoelectronic architecture. A non-imaging, low-data paradigm is established to minimize annotation dependency. First, a sensor-in-the-loop strategy reconfigures a Digital Micromirror Device (DMD) as a physical optical convolutional layer, enabling photonic-domain feature extraction that unifies sensing hardware and processing software. To suppress data volume at the source, a block-based compressed sensing strategy encodes spatial information into low-dimensional temporal signals, drastically reducing redundancy. Subsequently, to bypass laborious manual defect shape annotation, natural language descriptions guide the network to align with highly generalizable features from Contrastive Language-Image Pre-training (CLIP), steering the attention maps of the optoelectronic neural network toward defect shapes. Furthermore, a Localization Accuracy for Attention (LAA) metric is proposed to quantify shape-level defect localization performance. Experiments on transparent material defect detection validate the system's effectiveness. Parametric analysis reveals how measurement matrices, compression ratios, and block sizes affect accuracy. Results show that, compared to traditional imaging, the proposed architecture maintains equivalent accuracy while reducing data volume by 90% for Vision Transformers and computational workload by 60% for Convolutional Neural Networks. This low-data paradigm offers an efficient solution for industrial automation scenarios involving massive data streams, high acquisition costs, or constrained edge resources.

Random initialization of convolutional filters does not use the training images. Previous work has shown that image patches can be copied into the first layer, and that k-means or principal components of patches can serve as filters. This paper compares four initializations of the first layer of a small convolutional network, with every other factor held fixed: He initialization, random mean-centered patches, principal components of those patches, and k-means centroids. Pre-Warm, our proposed methodology, is the rule-based use of both dictionaries: the patch count follows the filter count and a foreground density, both dictionaries are built from a single minibatch, and whichever of principal components or k-means better reconstructs those patches is written into the first half of the filter bank, rather than chosen by a validation search. The remaining filters stay random. On five datasets, principal components improve CIFAR-10 and CIFAR-100 relative to He initialization, and k-means improves SVHN and MNIST, and is the stronger of the two on Fashion-MNIST; copying raw patches does not reproduce those color-set gains. Use principal components on photographic patches and k-means on stroke-like patches; the first-batch reconstruction check recovers that split.

Physics-informed neural networks (PINNs) embed governing equations in their loss function, enabling mesh-free solutions to partial differential equations. Low training loss is treated as evidence that the learned solution is physically correct. This paper shows that assumption breaks down when encoded physics are incorrect. By perturbing PDE parameters before training, a setting we describe as physics parameter poisoning or parameter misspecification, we produce models that train to low loss but give incorrect answers; we treat the perturbation schedule as sensitivity analysis rather than only as a security threat, and none of our claims requires an adversary. Achieving low residual loss does not discriminate accurate from inaccurate solutions: poisoned models reach losses at or below the clean baseline yet differ by large margins, so driving the residual down is not evidence of physical accuracy. Across three PDE systems (Burgers equation, Navier-Stokes cavity, and convection-diffusion), poisoned models match or beat the clean-model training loss while their solutions differ by up to 71% in the fixed sweep and up to 128% under adversarial search; at Cavity Re=400 the poisoned loss falls below the clean baseline. We define a detection difficulty ratio R (solution error divided by training loss) to summarize how invisible the corruption is, though cross-PDE comparison is complicated by differences in loss scale. We test six candidate defenses, none of which reliably detects corruption across all regimes. We propose a post-hoc defense: sweeping the PDE residual loss across parameter values without retraining. The loss minimum recovers the true training parameter without external data, and generalizes across all three PDE systems. The effect holds across five network architectures (8.7K to 133K parameters), is bidirectional, and is confirmed across multiple random seeds.

Tabular classification is often governed by local, condition-triggered rules rather than smooth global patterns. However, tabular deep neural networks (DNNs) are typically built upon Euclidean representations that favor smooth variations and semantic locality. This potential geometric mismatch can make it challenging for tabular DNNs to efficiently represent the discrete, rule-partitioned structures often underlying tabular classification. To address this issue, we propose HDE-Net, a manifold-constrained DNN that enables hierarchical decision modeling in hyperbolic space. We first abstract heterogeneous features into unified Latent Decision Nodes (LDNs) and embed them in the Poincaré ball, forming a continuous representation that resembles tree-structured reasoning. For numerical features, we introduce a Soft Decision Routing mechanism that approximates range-based local rules in a differentiable manner, bringing their LDN semantics closer to those of categorical features. An entropy-aware capacity allocation algorithm further adapts the number of LDNs per numerical feature to balance expressiveness and complexity. On the TALENT-tiny-core classification benchmark (30 datasets), HDE-Net achieves the \textit{best average rank}, outperforming both industrial GBDTs and recent tabular DNNs while maintaining high efficiency.