Neural Network

Deploying neural networks on unconventional hardware demands architectures that co-optimize task accuracy and platform-specific constraints such as energy cost, physical non-idealities, and numerical precision. Existing neural architecture search (NAS) methods are typically tailored to a single hardware family, limiting cross-platform comparison and generalization. We introduce Unconventional Hardware Neural Architecture Search (UH-NAS), a hardware-agnostic, LLM-guided NAS framework that integrates language models as evolutionary operators to co-optimize accuracy and inference energy. By exposing hardware as a swappable backend with per-platform energy models, physical constraints, and non-ideality simulators, UH-NAS enables fair system-level comparisons across various backends without modifying the search algorithm. Tested on optical MZI hardware, UH-NAS discovers more diverse, robust architectures than conventional baselines while outperforming existing LLM-to-NAS approaches. Additional ablations on architecture robustness under non-idealities and the role of system prompts highlight the importance of architecture-hardware co-design for emerging computing platforms.

In this work, we develop theoretical foundation for flow matching with neural-network-parameterized conditional velocity fields. We establish convergence guarantees for gradient descent in the over-parameterized 2-layered ReLU neural network regime. We derive generalization bounds for the conditional velocity-field matching objective. Building on these results, we provide Wasserstein-distance guarantees for the samples generated by the induced flow. Our analysis is based on generalization bound for multi-task representation learning with unbounded losses, which may be of independent interest beyond flow-based generative modeling. These theoretical results are validated through extensive experiments on both synthetic and real-world image benchmarks.

We introduce Temporal Sheaf Neural Networks (TSNN), a temporal link prediction framework that equips each node with a time-varying orthogonal frame and compares node states only after explicit transport between local coordinate systems. In contrast to existing continuous-time graph models that operate in a shared global embedding space, TSNN models node-specific and evolving interaction semantics through dynamic local frames. The model parameterizes per-node frames via efficient low-rank Householder products, preserves stored hidden states exactly under frame updates, and uses a geometric-residual decoder that anchors predictions on transported distances while learning residual corrections. All computations are strictly causal and use only the pre-event history. We show that the symmetric degree-normalized sheaf Laplacian is orthogonally similar to the symmetric normalized graph Laplacian, with the random-walk normalized form similar in the corresponding degree metric; the full-active, feature-scaled diffusion used by TSNN is exactly a metric-gradient step on the combinatorial sheaf Dirichlet energy, with a degree-free monotone-descent and non-expansiveness guarantee. Frame drift perturbs updates only linearly. Across TGB v2 link-prediction and temporal-heterogeneous leaderboards, together with the DGB benchmark suite, TSNN matches or surpasses the strongest prior methods on most benchmarks, with the largest improvements on graphs exhibiting strong node-role heterogeneity. Ablations confirm the distinct benefit of dynamic frames, orthogonal transport, and geometric-residual decoding.

Spiking Neural Networks (SNNs) provide a naturally temporal machine-learning framework. Their neurons maintain an internal state and propagate information through discrete spikes, enabling low-latency temporal inference. Although SNNs are often associated with asynchronous neuromorphic processors, many scientific real-time inference systems rely on conventional synchronous field-programmable gate arrays (FPGAs) and high-level synthesis (HLS) workflows. In this paper we present an extension of hls4ml that enables clock-driven deployment of SNNs trained in pytorch onto FPGA firmware. We demonstrate the workflow using a dense quantised SNN trained on the Heidelberg Spiking Digits dataset where it achieves inference latencies of approximately $34μ$s. We validate the generated design through software reference comparisons, HLS C simulation, HLS synthesis, export, and Vivado synthesis reports. This work opens up the hls4ml toolkit to neuromorphic computing, allowing streamlined optimisation, synthesis, and deployment of SNN models for real-time inference.

We generalize the universal approximation theorem for functional input neural networks (FNN) to differentiable maps by including the approximation of the derivatives. A FNN maps the input from a possibly infinite-dimensional weighted manifold to the real-valued hidden layer, on which a non-linear scalar activation function is applied, and then returns the output into a Banach space via some linear readouts. By proving a weighted Nachbin theorem, we establish a universal approximation theorem for differentiable maps, which goes beyond the usual formulation on compact sets and also includes the approximation of the derivatives. This leads us to approximation results for non-anticipative functionals including the horizontal and vertical derivatives. As a further application, we show that linear functions of the signature are able to approximate path space functionals including their directional derivatives.

We introduce Topological Neural Operators (TNOs), a principled framework for operator learning on cell complexes that lifts neural operators (NOs) from functions on points and/or edges to topological domains. TNOs represent data as features defined on cells of varying dimension and model their interactions through Discrete Exterior Calculus, enabling explicit cross-dimensional coupling via gradient-, curl-, and divergence-type operators. The key design principle is to decouple where information flows, as governed by fixed topological operators, from how it is transformed (which is learned), yielding models that respect the geometric support of physical quantities and expose conservation and compatibility structure. We further propose Hierarchical TNOs (HTNOs), which incorporate learned coarse complexes to propagate long-range and topology-dependent information. Our framework subsumes existing NOs as a special case, providing a unified perspective on operator learning across discretizations. Across a range of PDE benchmarks, including irregular-geometry flow problems, TNOs and HTNOs improve accuracy; controlled studies further isolate the benefits of native higher-rank and topological structure. Project page: https://circle-group.github.io/research/TNO

Continual training of deep neural networks under non-stationarity often leads to a progressive loss of plasticity, eventually limiting further learning. We relate plasticity to the empirical Neural Tangent Kernel, and identify dynamical isometry (the condition that layer-wise Jacobian singular values remain close to one) as a key mechanism for preserving plasticity in continual learning. We revisit a class of networks that are almost-everywhere isometric while remaining universal Lipschitz function approximators, demonstrating that near-dynamical isometry is compatible with expressive nonlinear representations. For general architectures, we propose an efficient isometry-promoting regularization scheme and identify a novel mechanism by which it can reactivate dormant ReLU units. Building on this, we introduce AdamO, an Adam-style adaptive optimizer that decouples isometry regularization from gradient updates, analogous to AdamW. We further reinterpret prior plasticity-preserving approaches through the lens of dynamical isometry, showing that they target only a partial measure of isometry. Across supervised and reinforcement-learning continual-learning benchmarks designed to induce plasticity loss, our methods consistently match or outperform existing approaches.

With AI increasingly deployed in safety-critical systems, providing formal robustness guarantees for the underlying models is essential. Existing verification methods either rely on overly conservative approximations or incur prohibitive computational costs. For example, the use of lp-norm perturbations in video settings encodes the belief that the adversary can inject noise in every video frame. In practice, adversarial perturbations exhibit structured spatial and temporal correlations, constrained to lower-dimensional, semantically meaningful subspaces. In this work, we study robustness verification of 3D CNNs processing video and volumetric inputs, targeting applications in action recognition (UCF-101), autonomous driving (Udacity), and medical imaging (MedMNIST) exploiting realistic assumptions on adversarial strength by modelling them as spatio-temporal constraints - where the attacker can modify either a subset of frames or patches within a set of consecutive frames. We demonstrate that modelling realistic constraints enables tighter approximations. We introduce Spatio-Temporal Bound Propagation (STBP), a verification framework that computes an exact closed-form characterization of the first convolutional layer and propagates certified bounds through subsequent layers using scalable approximations. Computing the exact closed form provides the tightest bounds for the first convolutional layer. Thus, we utilise approximation methods in the remainder of the network. To spur further progress in this field, we propose ST-Bench, a verification benchmark for autonomous driving and activity recognition, to systematically evaluate verifiable robustness. Compared to existing verification-based approaches, STBP provides stronger robustness guarantees with significantly improved scalability, achieving 1.7x higher certified robust accuracy under identical perturbation budgets.

Individual animal recognition can be useful in the search for lost or stolen pets, the tracking of individuals of endangered species, and the recognition of animals in crowded farms. Present recognition techniques mostly use physical devices, e.g., microchips, often impractical and difficult to apply. These could be replaced by remote recognition via the animal's face; if accurate enough, it provides several advantages: it is non-invasive, can work at a distance, and is difficult to counterfeit, as, for instance, in the case of substituting sick animals for healthy ones in the food industry. The few existing datasets with sufficient per-subject images annotated with a single animal identity are not large enough to train current deep learning architectures. We rather investigate the possibility of transfer learning, exploiting pre-trained network models as backbones. Our experiments compared FaceNet, which is specifically trained on large databases of human faces, with the Vision Transformer (ViT) pre-trained on ImageNet, i.e., on object categories. We used three face datasets of very different animals: dogs, primates (lemurs, golden monkeys, and chimpanzees), and cattle. We report the results and, for each dataset, compare them with the state of the art (SOTA) ad hoc-trained deep networks. The capture conditions differ among the three datasets. Image quality (resolution, motion blur, diverse poses, etc.) decreases from dogs to cattle to primates. The best performance was achieved with dogs, where ViT reached a mean verification accuracy of 96.85% and a Rank-1 Identification Rate of 84.34%. The results for endangered primates are still encouraging, but performance varies across animal classes and tasks (verification or identification), and does not always outperform SOTA. For cattle, the ViT results outperform SOTA, while FaceNet is still competitive.

Football event data constitute a rich spatiotemporal source for quantitative analysis of player actions in team sports. These datasets contain heterogeneous features, combining continuous location coordinates with categorical variables such as action type, action outcome, and body part. Such data have been applied in sports analytics for match outcome forecasting, player evaluation, and tactical pattern recognition. However, existing approaches predominantly encode categorical features using one-hot or ordinal embedding representations, overlooking the intrinsic semantics of action descriptors. The Transformer is a deep neural network architecture based on self-attention that captures dependencies between input features at arbitrary positions. We propose and implement a Transformer-based model to learn latent dependencies among categorical event features and produce dense representations of football events. By encoding categorical features as learned embedding vectors, sport-specific action semantics are captured during pretraining, enabling the representations to support downstream tasks such as action value estimation and play style recognition. Empirical evaluation shows that the embedding representations yield superior probability calibration over task-specific baselines on the downstream prediction tasks, as measured by Brier score.

3D semantic scene generation is crucial for autonomous driving applications, yet most methods rely on complex 3D-specific architectures such as triplane encoders and adapted diffusion networks, limiting both their simplicity and their editing capabilities. We propose EditSSC, an editing-ready method for 3D semantic scene generation using 2D Bird's Eye View (BEV) representations and off-the-shelf latent diffusion network. Our approach reshapes 3D semantic occupancy grids into multi-channel BEV images and leverages the quantized autoencoder and UNet from Stable Diffusion with minimal modifications. We perform diffusion on the latents after quantization, which enables training-free editing capabilities. By exploiting class-to-code correspondences in the codebook, our method supports sketch-guided generation, inpainting, and outpainting without any retraining. On SemanticKITTI, EditSSC outperforms existing 3D-specific baselines on unconditional generation, demonstrating that well-established 2D architectures can be effectively repurposed for 3D scene generation and editing.

Averaging a neural network over its random parameters and marginalizing a Gaussian sector are the same operation, the Schur complement of the eliminated block, and when that block is closed it returns a covariance and its inverse. That is all a network ensemble produces, the closed case. The open case is missing, and nuclear reaction theory has it worked out. Projecting a scattering problem onto a chosen set of channels, with the rest carrying probability irreversibly to a continuum, leaves a non-Hermitian effective generator that conserves and itemizes exactly what it loses: the nuclear optical model and its generalized optical theorem. I set the two cases side by side using only the moments of a distribution, the algebra of Gaussians, and block inversion, no field theory, and give the closed-case dictionary in full: the neural tangent kernel is the Fisher sensitivity kernel, the infinite-width Gaussian limit is the Gaussian-process emulator, and the lazy-to-feature transition is the validity boundary of a reduced-basis emulator. I then test the open export on a truncated attention map, a token-level transfer operator, and a sparse expert router, and report a mostly negative result. The conserved flux ledger ports wherever openness is genuinely present, but its distinctive content is absent, an artifact of the chosen partition, or pinned near a floor by the training objective, and the operationally useful uncertainty turns out to be epistemic, living in the closed half of the correspondence, not the open one. The negative has a structural reason this note makes precise: the open case needs an eliminated sector with a continuous spectrum and wave-like, not relaxational, dynamics, which mainstream learning's finite or dissipative objects do not supply. This is a note, not a result; its main finding is that negative one, and its value is the map that locates it.

This paper presents a unified system designed to support precision agriculture by integrating advanced weather prediction, crop recommendation, and a question-answering tool for farmers. We propose two deep learning models -- a Transformer-based Graph Neural Network and a Spatio-Temporal Graph Convolutional Network (STGCN) -- to forecast weather conditions for the next 30 days using data from 1,359 locations in Nepal. The STGCN outperforms the Transformer-based model in accuracy (MSE ~0.011 vs. 0.013), effectively modeling both spatial and temporal dependencies in climate data. These predictions are combined with static soil properties such as pH, moisture, and organic content to generate localized crop recommendations through a scoring algorithm that matches each crop's optimal growing conditions. Additionally, we develop a Retrieval-Augmented Generation (RAG) chatbot that leverages domain-specific agricultural documents to answer farmers' questions in natural language. The entire system is deployed via a mobile application, offering real-time suggestions and conversational support. User feedback confirms the system's usability and relevance, especially in rural settings where personalized farming guidance is limited. Overall, our approach demonstrates how combining machine learning models with local agricultural data can empower farmers with actionable insights, promoting more informed decisions, better crop yields, and increased resilience to climate variability.

Convolutions have successfully transitioned from image processing to the complex realm of non-Euclidean higher-order domains, particularly in hypergraphs. Despite the success in convolution, the exploration of a popular architecture named U-Net remains largely unexplored for hypergraph data due to the lack of well-defined pooling and unpooling operations. This work pioneers the study of U-Net architectures for hypergraph data, addressing the critical challenge of designing effective pooling and unpooling operations that retain maximal structural information from the input hypergraph. Motivated by hierarchical clustering, we propose to construct the pooling and unpooling operators all at once by cutting the clustering dendrogram at different granularities, named the Parallel Hierarchical Pooling (PHPool) and Unpooling (PHUnpool) operators. Unlike existing pooling methods that risk local structural damage through a sequential learning procedure, our PHPool operators are designed in a global and parallel manner to ensure fidelity to the original hypergraph structure with efficient computation while the PHUnpool operators are tailored to perform inverse operations of the PHPools for hypergraph reconstruction. We validate our model through hypergraph reconstruction simulation, hypergraph classification, and node-level anomaly detection, where it demonstrates superior performance over existing state-of-the-art graph and hypergraph deep learning methods.

Fundamental investigations into how different molecular encoding methods affect molecular property prediction remain relatively limited. In this study, we extensively examined the optimal molecular encoding methods for molecular properties prediction using two prevalent structure designs: a classical neural network model (MLP) and a Transformer encoder-based model (MLP+TL). For molecular encoding methods, we investigated several types of fingerprints, including traditional topological fingerprints, substructure-based fingerprints, and string-based representations. These two models were trained on seven well-known molecular datasets to evaluate different input molecular encoding methods based on evaluation metrics. On several biologically relevant classification tasks, including toxicity, mutagenicity, and side-effect prediction, our models consistently achieved average AUC values above 0.9. Rather than relying on external post-hoc explanation methods such as the local interpretable model-agnostic explanation (LIME) or the Deep SHapley Additive exPlanations (SHAP), we leveraged the model's intrinsic attention weights as an internal interpretability signal for identifying potentially important feature. The MLP+TL model using MACCS and PubChem as input can capture chemically interpretable groups that determined the major blood-brain barrier (BBB) permeability and mutagenicity in Salmonella typhimurium. In particular, a comparison between Morphine and Heroin highlighted the role of hydroxyl-related substructures in BBB permeability prediction, which was consistently reflected in the attention weights. Overall, our findings provide practical guidance for selecting effective molecular encoding methods and contribute to the development of interpretable molecular informatics approaches for drug discovery.

Recurrent neural networks maintain a hidden state $h_t$, but its probabilistic meaning is often unclear. We study hidden-state stability through \emph{backward coherence}: the extent to which $h_t$ can be reconstructed from $h_{t+1}$ by a learned backward projector $g_φ$. Under contraction and summable backward drift, the hidden-state sequence forms a quasi-reverse-martingale. This yields almost-sure convergence, rates under mixing, an interpretable limiting representation, finite pathwise stopping times, and a theoretical framework for time-uniform confidence sequences. Simulations support the theory. Backward-coherence regularisation reduces the empirical quasi-martingale total $\hat Q$ by $43$--$58$, reaches stability $28$--$44$ earlier than an unregularised RNN, and gives tracking-error recovery consistent with geometric bounds. Additional tests confirm echo-state forgetting rates bounded by $ρ$ and verify the increment-sum tube $R_t$ with $100$ simultaneous coverage, although $R_t$ is conservative; in practice, the defect-tail proxy $\hat Q_t$ is the more useful monitor. The backward-coherence loss is also equivalent to minimising a Kullback--Leibler divergence in a Gaussian backward model, linking the method to variational inference. Extensions cover $φ$-mixing inputs, change-point tracking, and finite-sample concentration. Three real-data studies further validate the approach. On PhysioNet 2012 ICU data, the Reverse Martingale RNN (RMRNN) matches RNN mortality-prediction AUC while reaching stable representations 13 hours earlier. On FRED-MD, it reduces one-month-ahead forecast error by about fourfold under concept drift. On UCI Human Activity Recognition, it maintains lower post-transition tracking error with geometric decay. The guarantees apply under the stated assumptions; universality is not claimed.

We study the generalization of ridge-regularized nonlinear least-squares models via on-average algorithmic stability, deriving error bounds for local minimizers in terms of a data-dependent effective dimension that reflects the geometry of the gradient model at the trained parameters, through the empirical Jacobian Gram matrix and a residual-curvature term. In the linear case, where the curvature term vanishes, this recovers the classical effective dimension of the Jacobian kernel covariance, but evaluated at the trained model rather than at initialization as is typical in neural tangent kernel analyses. We further bound this effective dimension via covering complexity of the gradient features, leading to guarantees that depend on learned geometry rather than parameter count. In particular, for manifold-supported data and piecewise Lipschitz Jacobians, the bounds scale with intrinsic dimension, while for one-hidden-layer ReLU networks, the mechanism can be made explicit through counts of activation-stable regions. Experiments on synthetic manifolds, clustered distributions, and benchmark datasets illustrate trained-Jacobian compression, the tightness of the residual-curvature linearization, and agreement between the stability bound and observed generalization gaps. A key feature of our bounds is the simplicity of their derivation, which follows from first principles using the Brascamp-Lieb inequality under strongly log-concave noise.

Transformers consistently fail to learn certain simple functions that are provably expressible with specific parameter settings. This gap between learnability and expressivity is particularly prominent for sensitive functions -- functions whose output is likely to change if a single bit of the input is flipped -- for example, PARITY. While prior work has established that transformers exhibit a bias toward functions with low average sensitivity, the precise mechanism underlying this bias remains poorly understood. To shed light on this phenomenon, we study the geometry of transformers' parameter space. We show that sensitive functions -- even when representable -- occupy a vanishingly small region that random initialization is very likely to miss. Specifically, we shift the focus from average sensitivity to the full sensitivity profile -- the distribution of sensitivity values across all inputs -- and prove that randomly initialized transformers almost surely compute functions which have low-sensitivity strings. Consequently, any function that lacks such strings is provably unlearnable.

The Forward-Forward (FF) algorithm offers a biologically inspired alternative to backpropagation by replacing gradient-based credit assignment with local, forward-only objectives. While recent extensions have adapted FF to convolutional neural networks (CNNs), existing formulations rely on static channel-class partitions and struggle to perform effectively in complex tasks. In this work, we introduce a learnable channel-class assignment mechanism that enables adaptive, data-driven specialization of convolutional channels, supported by entropy and orthogonality regularization to promote learning performance. We further propose a loss-aware layer contribution strategy that adaptively weights intermediate-layer predictions based on their validation performance, enhancing the effectiveness of forward-only inference. Integrated into residual CNNs, the proposed method achieves consistently superior performance across CIFAR-10, CIFAR-100, and Tiny-ImageNet compared to existing similar forward-only methods. Notably, it establishes new state-of-the-art performance among FF-based models, substantially narrowing the gap with backpropagation. These findings demonstrate that introducing learnable channel specialization and layer contribution weighting significantly enhances the representational capacity of forward-only learning in deep CNNs.

Tensor networks provide efficient representations for compressing large neural networks. By carefully designing shapes and topologies, they can significantly reduce memory and computational costs. However, identifying implicit low-rank structures in large foundation models remains challenging due to their enormous scale and un-structured weight distributions. We propose an adaptive tensorization method that discovers inherent low-rank structure in a target tensor by index ordering. Experiments on weight and KV-cache compression demonstrate improved reconstruction quality compared to baselines.

While confidence calibration is essential for trustworthy decision-making in safety-critical applications, the robustness of calibrated GNNs to adversarial structural perturbations remains largely unexplored. However, studying calibration attacks on graphs presents unique technical challenges: (1) the discrete nature of graph structures complicates gradient-based optimization, (2) existing underconfidence objectives fail to drive predictions toward uniform distributions, and (3) GNNs are highly sensitive to edge perturbations, often causing unintended label changes that violate attack constraints. To address these challenges, we propose a \textbf{Unified Graph Calibration Attack (UGCA)} framework designed for \textbf{worst-case (white-box) analysis} of GNN calibration robustness. UGCA introduces a KL-divergence loss to encourage uniform predictive distributions, a reranking mechanism to reduce label flipping, a hybrid loss to recover labels when violations occur, and beam search to explore a broader adversarial search space. We further provide theoretical insights linking model generalization, dataset complexity, and calibration vulnerability, showing that models with higher accuracy or trained on datasets with more classes are more susceptible under this threat model. Extensive experiments demonstrate that UGCA substantially increases Expected Calibration Error while preserving classification accuracy. Our code is publicly available at https://github.com/CaptainCuong/Graph-Calibration-Attack.git.

Recent advances in generative AI, especially powerful Large Language Models (LLMs) and Large Reasoning Models (LRMs), raise concerns over the interpretability, safety and sustainability of these large and opaque AI models. The power of such architectures is derived not only from the scalability of deep neural networks, but also massively parallel hardware such as GPU clusters. The diffuse nature of deep neural networks gives them great function-approximation capability when provided with sufficient training data but imposes a cost in interpretability and computational efficiency. Observing that localised machine learning (ML) models tend to be more interpretable and computationally efficient than deep neural networks on small datasets, we reason by analogy that similar advantages may apply to specific localised hardware ML architectures. We argue that localised architectures with lower bandwidth but higher expressivity per node have the potential to be fundamentally more interpretable than deep neural networks running on GPU clusters while remaining competitive for smaller datasets. We then evaluate the suitability of various hardware ML paradigms for implementing such localised architectures and evaluate their per-node expressivity, energy efficiency and practical maturity of the technology required.

Derivative-controlled networks based on ChainzRule (CR) combine cubic polynomial layers with a lightweight forward-mode per-layer Jacobian penalty (DREG). In this second paper of a multi-part series, we evaluate the generalization properties of CR across data regimes. We ablate the shape of the DREG coefficient schedule, demonstrating that the optimal annealing range depends on representation noise. On the Pima Diabetes dataset, CR achieves strong low-data performance and maintains a consistent accuracy advantage over baselines from 5% to 100% training data, supported by exceptionally stable gradient tail ratios ($\sim$1.01--1.02 vs. 1.07--1.09 for ReLU networks). Extensions to SST-5 show competitive or superior results in both frozen-embedding and BERT fine-tuned regimes, including outperforming prior BERT baselines despite substantially less training data. These results are statistically significant: CR achieves superior accuracy over the strongest published baselines we could identify on both datasets ($p < 0.05$). These results establish that layer-wise derivative control induces a structural inductive bias toward low-frequency, stable representations that generalizes robustly across tabular and NLP domains, data volumes, and representation qualities. The gradient tail ratio serves as a reliable, label-free diagnostic of generalization capability.

It is well established that ReLU networks define continuous piecewise-linear functions, and that their linear regions are polyhedra in the input space. These regions form a complex that fully partitions the input space. The way these regions fit together is fundamental to the behavior of the network, as nonlinearities occur only at the boundaries where these regions connect. However, relatively little is known about the geometry of these complexes beyond bounds on the total number of regions, and calculating the complex exactly is intractable for most networks. In this work, we prove new theoretical results about these complexes that hold for all fully-connected ReLU networks, specifically about their connectivity graphs in which nodes correspond to regions and edges exist between each pair of regions connected by a face. We find that the average degree of this graph is upper bounded by twice the input dimension regardless of the width and depth of the network, and that the diameter of this graph has an upper bound that does not depend on input dimension, despite the number of regions increasing exponentially with input dimension. We corroborate our findings through experiments with networks trained on both synthetic and real-world data, which provide additional insight into the geometry of ReLU networks. Code to reproduce our results can be found at https://github.com/bl-ake/ICLR-2026.

Advances in novel materials science enable structures to function as intelligent machines by embedding memory and learning capabilities directly into materials. Our work introduces a physical adaptive material motor unit neural network,leveraging a new generation of controllable actuators composed of wood- and carbon black-based composites, sensitive to temperature and relative humidity. These material actuators are assembled into a motor unit-like structure inspired by muscle contraction trigger, forming an intelligent machine capable of dynamic shading control that can be used, for example, in buildings. The machine is governed by a neural network trained on over 350 experimental data points collected under diverse environmental conditions. By establishing a new data-aware backpropagation training, we show that the machine predicts shading responses and learns to predict appropriate behaviour incrementally as the database expands. We also demonstrate the ability of the machine to optimise configurations to achieve similar shading outputs under two distinct conditions.

Autoencoders (AEs) learn low-dimensional representations by mapping data into a latent space while minimizing reconstruction error. Despite their empirical success, theoretical understanding remains limited and largely restricted to linear models or settings without a bottleneck. In this work, we study nonlinear AEs with a fixed finite-dimensional bottleneck in the mean-field (MF) regime. We derive explicit MF learning dynamics for both encoder and decoder, providing a tractable characterization of training in the nonlinear setting. We show that, over finite time horizons, the empirical risk of finite-width networks trained with stochastic gradient descent closely tracks the MF risk trajectory with high probability. At optimality, we further establish that the finite-width risk converges to the MF optimum, demonstrating that finite networks are sufficiently expressive to approximate the infinite-width solution.

Physics-Informed Neural Network (PINN) is a way of including knowledge in the form of equations in Machine Learning methods. Beyond equations, knowledge exists in other forms, such as text and network structure. While existing PINN-based approaches discover equation parameters from data, they rely solely on experimental measurements. We propose a new PINN framework that enriches parameter discovery by incorporating auxiliary knowledge sources. We instantiate our framework for microbiology, where generalised Lotka-Volterra (gLV) serves as a biological foundation for modelling microbial communities. We demonstrate that incorporating knowledge improves microbial community modelling. Our framework enriches the gLV parameters using peer-reviewed metagenomics literature, as text provides biological context on external influences that gLV alone cannot capture. We combine this knowledge with experimental measurements of microbial abundance using a data-driven integration approach. We integrate network-based structural knowledge by explicitly modelling microbial interactions. Our knowledge-inclusive framework infers microbial networks, revealing ecological insights. We validate these findings against ecological roles documented in the literature. We evaluate on real and simulated datasets spanning human- and plant-associated microbial communities. Our framework improves over the state-of-the-art by up to 53%, even without knowledge. Knowledge addition yields gains of up to 23% in Bray-Curtis Dissimilarity-based accuracy and 47% in $\mathrm{R}^2$.

Transfer in coordinate networks is often measured by warm-start gain, but whether that gain reflects source-specific structure or generic weight reuse is less clear. We study this question across three implicit neural representation (INR) families, SIREN, ReLU MLPs, and Fourier-feature MLPs, using controlled analytic tests, a 2D lid-driven-cavity Navier--Stokes benchmark, and 1D PDE reference-solution suites for heat, viscous Burgers, and focusing cubic NLS. The analytic tests use independent-seed random controls, while the PDE benchmarks use alternate same-family source controls and auxiliary ablations. Across settings, transfer magnitude and transfer specificity separate clearly. In a 10-seed controlled 1D geometric test, Fourier Features show the largest structured transfer ($33.1\times$), followed by SIREN ($23.0\times$) and ReLU ($10.7\times$), but ReLU is far more selective: random-control transfer is $0.41\times$ for ReLU versus $14.24\times$ for SIREN. On a controlled two-parameter 1D family, the ranking changes: ReLU gives the clearest structured-versus-control separation at default settings, whereas Fourier Features improve only after bandwidth retuning. In Navier--Stokes and the broader 1D PDE suite, no single architecture dominates every equation, yet the same pattern remains: SIREN often reuses weights broadly, whereas ReLU and, in some equations, Fourier Features are more source-selective. Static diagnostics remain weak, and the heuristic scaling law $A_{\text{transfer}} \propto 1/Δt^2$ is rejected in the implemented 1D audit. These results position transfer specificity as a useful diagnostic for coordinate networks and suggest that architecture selection in scientific machine learning should be evaluated under explicit control conditions, not by transfer magnitude alone.

Understanding the generalization performance of over-parameterized neural networks has become a central topic in deep learning theory. While recent advances, particularly works under the Neural Tangent Kernel (NTK) regime, have shed light on the behavior of shallow architectures, the statistical generalization properties of deep neural networks (DNNs), especially in regression tasks, remain far less understood. In this paper, we make significant progress toward closing this gap by providing a comprehensive generalization analysis of DNNs trained using gradient-based methods. First, we establish, for the first time, a crucial connection between the learning dynamics of a DNN with smooth activation functions trained via gradient-based methods and those of kernel methods, showing that gradient-based methods on over-parameterized DNNs can fully inherit the favorable learning dynamics of their kernel counterparts. Building on this connection and the well-established optimality of kernel methods, we derive the first known minimax-optimal rates for the excess population risk of both gradient descent (GD) and stochastic gradient descent (SGD), under the assumption that network width scales polynomially with the sample size. Our results demonstrate that, with sufficient width, DNNs trained by GD or SGD can achieve generalization performance comparable to kernel-based methods.

Recent progress has been made in understanding the statistical generalization performance of gradient descent methods for overparameterized neural networks within the neural tangent kernel (NTK) regime. However, most of the existing work on regression problems is limited to shallow network architectures, leaving a notable gap in the theory of deep neural networks. This paper addresses this gap by presenting a comprehensive generalization analysis for deep ReLU networks trained using gradient descent (GD) and stochastic gradient descent (SGD). Specifically, we establish the first known minimax-optimal rates of excess population risk for both GD and SGD with deep ReLU networks, under the assumption that the network width scales polynomially with respect to the network depth and training sample size. Our results demonstrate that with sufficient width, gradient descent methods for deep ReLU networks can achieve optimal generalization rates on par with kernel methods.

Accurate vessel trajectory prediction is essential for safe and efficient maritime operations, enabling collision avoidance and supporting route optimization. Although memory-augmented neural networks have recently shown strong performance in pedestrian and road-vehicle trajectory prediction by selectively retrieving relevant information from an external memory, their potential for vessel trajectory prediction remains underexplored. This paper presents an empirical investigation of memory-based trajectory prediction using Automatic Identification System (AIS) data. Experiments on data from the Gulf of Mexico and the New York Bight demonstrate consistent and substantial performance gains over a range of deep learning baselines that do not incorporate an external memory.

Physics-Informed Neural Networks inherently suffer from task interference because they rely on a shared parameter space to satisfy both governing differential equations and boundary conditions. We analyze this structural conflict using the Fisher Information Matrix to quantify the effective degrees of freedom ($d_{eff}$) in a physics-constrained model. Unlike the classical $d_{eff}$ which measures how many parameter directions are informed by data against a statistical prior, our $d_{eff}$ measures the dimension of the parameter directions unconstrained by the differential operator. For operators with finite-dimensional kernel, we show that $d_{eff}$ converges to the kernel dimension exactly, independent of network width, depth, or activation function, recasting it from a fit diagnostic into a structural invariant of the underlying continuous operator. For operators with infinite-dimensional kernel, $d_{eff}$ instead measures the network's finite-dimensional representational bandwidth for that kernel rather than recovering an integer invariant. Importantly, $d_{eff}$ also serves as an a priori structural diagnostic. Driving $d_{eff}$ of a well-posed problem to zero certifies that the physics and boundary constraints have absorbed the network's free directions. Building on this characterization, we introduce subspace projection strategies for boundary adaptation. Rather than retraining from scratch, we project parameter updates into the null space of the pre-trained physics operator so that new boundary conditions are satisfied without disturbing the learned physics. Gradient-based fine-tuning can match or exceed this but needs more wall-clock time and tuning, whereas subspace projection delivers near-equivalent quality in seconds to minutes. We validate on linear and nonlinear operators, demonstrating accurate adaptation to initial and boundary shifts and unencountered constraint types.

Uncertainty quantification in neural networks prediction is a main issue for usual applications. Our approach seeks at reducing computation costs by directly evaluating uncertainty using PDE's information on the asymptotic variance, rather than the deep ensemble method which may be seen as a Monte Carlo estimation of the prediction, requiring the training of multiple networks. We thus study the law of the limiting process describing the random fluctuations around the mean-field limit of wide two-layer neural networks trained by stochastic gradient descent in a weak-noise regime. Building on a recent trajectorial central limit theorem, in which this limit is characterized as the weak solution of a linear stochastic evolution equation, we identify its law explicitly. More precisely, we show that it is a centered Gaussian process in the dual of a weighted Sobolev space, and we derive a closed covariance representation for the finite-dimensional distributions obtained by testing it against smooth functions. This covariance is expressed through the solution of a backward transport equation with a nonlocal source term, whose coefficients are driven by the mean-field trajectory. As a consequence, by testing against the activation function at a fixed input, we obtain an expression for the limiting variance of the corresponding network-output fluctuations. We illustrate this result numerically on a one-dimensional regression example.

Singular learning theory and information geometry study the same spaces: the former in resolved coordinates, the latter in original coordinates under a non-degeneracy assumption that overparameterised models violate. This paper carries one direction of the bridge between them, from Watanabe's invariants to Fisher geometry, through one primitive, the dead direction: a unit vector along which the Fisher metric degenerates, equivalently a direction crossing the analytic singular set along which the KL divergence keeps a zero of high order, its KL order set by how fast that divergence vanishes. Our central result recovers the KL order as the decay rate of the directional Fisher quadratic form approaching the singularity, in original coordinates, without a Hironaka resolution. A selection rule on smooth fibres translates this rate into Watanabe's single-direction contribution to the real log canonical threshold, and the recovery extends to multi-component crossings, multiplicity $m$, the singular fluctuation $ν$, prior-RLCT shifts, and tempered posteriors. We then carry the rate into a deep network: a multi-layer K-FAC factorisation writes each Fisher block as a product of activation- and gradient-side rates with a duality between them, instantiated at residual streams, layer normalisation, and attention. A quotient theorem carries the rate to the gauge quotient for optimizers whose update commutes with the group action; Adam's per-coordinate preconditioner fails that condition, so we construct DDCAdam, an equivariant Adam-family preconditioner, and prove the quotient rate along its trajectory. The result is a trajectory-rate readout of Watanabe's triple $(λ, m, ν)$ from one checkpoint's forward and backward passes, without posterior sampling.

Deformable 3D Gaussian Splatting (D-3DGS) re-constructs dynamic scenes from monocular video by deforming a canonical set of 3D Gaussians through a positional-encoded MLP of frame time t. Although fitted to a continuous variable, the MLP couples no two values of t in its architecture and effectively predicts discrete per-frame offsets, leaving temporal smoothness to emerge only as a byproduct of optimisation. We redesign the deformation field as a stack of Closed-form Continuous-time (CfC) cells, a Liquid Neural Network (LNN), that is the closed-form solution of the Liquid Time-constant ODE while preserving every other part of the D-3DGS pipeline. Each cell exposes a sigmoidal time gate that interpolates between two candidate hidden states, baking a learned smooth response to t into the loss landscape without invoking any numerical solver. On the eight D-NeRF and seven NeRF-DS scenes the liquid field matches or exceeds the MLP baseline in aggregate, with its largest gains concentrated on the scenes with the most high-frequency articulated motion. The result is a near-zero-friction architectural design that turns the discrete MLP deformation field into an explicit continuous-time function of t.

Grokking suggests that fitting the training data and learning a simple underlying rule may occur on different time scales. We formalize this phenomenon by separating the fast decay of the classification loss from the slower simplification of the learned representation, and we call the resulting pair of stopping times two training clocks. For deep linear networks, we show that a post-margin gap-growth or one-step tail-contraction condition reduces the cross-entropy loss to level epsilon on a logarithmic time scale. In contrast, when layerwise weight decay is present, the induced regularization on the end-to-end map can be expressed as a Schatten-type penalty; under a sharp late-time Kurdyka-Lojasiewicz tail, this structural energy closes on a polynomial time scale. The two clocks, therefore, separate fitting from representation simplification. We then explain how the same mechanism can appear in ReLU MLPs. In regions where the activation patterns on the training set remain fixed, the network reduces to a linear model in the active coordinates. In a two-layer ReLU embedding model, chain-rule estimates further show that the classifier head can receive larger effective gradients than the embedding block under controlled downstream norms. This supports a two-stage mechanism in which the classifier fits first, while the representation continues to simplify later. We use modular addition as the main experimental setting. The deep linear theory provides the rigorous core of the analysis. But the ReLU results are formulated as conditional reductions that account for empirical behavior without claiming a global proof for nonlinear training dynamics.

This paper establishes a theoretical framework for the uniform convergence of smoothly activated deep neural network (DNN) estimators. While standard ReLU networks achieve minimax-optimal rates in the $L^2(P)$ norm for various nonparametric regression tasks, we establish a theoretical lower bound demonstrating that least-squares ReLU estimators can suffer from the curse of dimensionality in their uniform convergence behavior. Motivated by the need for reliable uniform guarantees in downstream tasks requiring worst-case reliability, we address this limitation by analyzing smoothly activated DNNs (smooth DNNs), encompassing both feedforward and residual structures. We establish novel pseudo-dimension bounds, non-asymptotic approximation guarantees, and Hölder-norm bounds for the approximators of these models. Leveraging these results, we derive non-asymptotic uniform convergence rates for smooth DNN estimators across multiple statistical contexts, including Huber, least-squares, quantile, and logistic regression. We prove that smooth DNNs can mitigate the {curse of dimensionality} in uniform convergence by adaptively exploiting the low-dimensional hierarchical composition structure of the target function. Supported by both simulation studies and a real-world application, our results position smooth DNNs as a theoretically grounded and practically viable alternative to ReLU networks for statistical learning tasks requiring uniform guarantees.

Large Language Models (LLMs) have transformed natural language processing, but they remain vulnerable to Prompt Injection (PI) and Jailbreak (JB) attacks. In addition, benchmark evaluations may be affected by contamination and partial information leakage, compromising performance estimates. This work presents GuardNet, a guardrail system based on an ensemble of shallow neural networks (BiLSTMs) with approximately 47 million parameters. We investigate the hypothesis that robustness in adversarial scenarios depends more on the diversity of example coverage and threshold calibration than on model scale. The results indicate that GuardNet achieves competitive performance compared with lightweight detectors and high efficiency at low latency, although larger LLMs such as Mistral-7B and Llama-3.1-8B still achieve superior performance in terms of F1 score and AUROC on the blind JBB-Behaviors benchmark. Nevertheless, GuardNet achieves an AUROC of 0.747 on the blind dataset (n = 200) and an F1 score of 0.92 on a proprietary benchmark (n = 50), under threshold calibration and evaluation with declared partial information leakage. The system operates with an average latency of approximately 50 ms on CPU, making it suitable for deployment in production environments with cost and infrastructure constraints.

Learning semantics is essential for deep learning models to be interpretable and better aligned with human reasoning. Concept-based models approach this by representing classes through meaningful semantic abstractions, but typically treat all concepts as a flat, unstructured set learned at a single neural network layer. This overlooks a fundamental property of human semantic understanding: concepts being organized hierarchically, from general to specific. While deep networks do learn a hierarchy of visual features, this structure is rarely aligned with explicit semantic hierarchies. Drawing on Formal Concept Analysis, we demonstrate that formal concept lattices provide principled semantic scaffolds to guide neural network learning. These lattices naturally identify where in the network concepts should be learned based on their level of generality. This allows the model to develop staged, semantically grounded representations throughout its depth. Empirical results on real-world datasets show that our models produce more interpretable embeddings, support more effective interventions, and learn concept representations that are both meaningful and hierarchically structured.

Neuroevolution is a representative neural architecture search paradigm that evolves both network topology and weights through evolutionary algorithms. In this paper, we propose Seq103, a unified NEAT-style neuroevolution framework for compact sequence architecture discovery. Seq103 consists of a shared evolutionary backbone and an optional recurrent extension. The shared backbone includes an elementary node-and-connection representation, per-class RMSE-based evaluation, mutation-based evolution with class-wise recombination, and elitism. The optional hidden-state mechanism extends the search space with hidden-state nodes and hidden connections, enabling temporal memory when step-wise recurrent inference is required. With this design, Seq103 applies the same core search pipeline to both step-wise recurrent and sample-wise feedforward sequence classification. In recurrent tasks, the hidden-state extension is enabled to provide temporal memory; in feedforward tasks, it is disabled while the shared evolutionary backbone remains unchanged. We evaluate Seq103 on 8 text classification datasets and the full UCRArchive2018 benchmark with 128 univariate time-series datasets. On step-wise tasks, Seq103 retains 86.96% of the best-baseline accuracy on average while using 34.6x to 3218.0x fewer parameters. On sample-wise tasks over the full UCRArchive2018 benchmark, Seq103 retains 81.95% of the best-baseline accuracy on average while using 11.8x to 160,601.0x fewer parameters.

We study the dynamics of gradient descent in the Edge of Stability regime, where the learning rate is large enough to induce persistent oscillations in the loss and the sharpness. We propose a continuous-time effective model that tracks the evolution of the average trajectory coupled with the time-averaged covariance of its fast oscillations. Our analysis reveals that the natural quantity to monitor in such unstable regimes is an effective free energy, which combines the original risk functional with a curvature-related "entropic" term. Our model allows us to track the envelope of the oscillations even in situations where its dynamics evolve on similar timescales as the averaged weights. Otherwise stated, we can track the spikes that occur during the training of some neural network architectures. For wide two-layer neural networks optimized under stable non-vanishing oscillations, we derive a mean-field limit that results in a novel kinetic equation describing the joint distribution of weights and their fluctuations. We show that this equation can be interpreted as a Wasserstein-2 gradient flow of a macroscopic free energy. Finally, we provide numerical evidence on matrix factorization and deep learning tasks (CIFAR-10) to demonstrate the model's accuracy in capturing the envelope of the oscillations and the predictive power of the effective free energy.

Many striking phenomena in deep learning, such as linear mode connectivity and the structured behavior of training dynamics, are closely tied to parameter symmetries: transformations that leave the realized function unchanged. Despite growing attention to parameter symmetries, the exact interplay between parameters, data, and representations remains underexplored. To investigate this, we develop a theoretical framework of effective function classes, i.e., the set of functions a neuron can realize on its input support, and the norm cost of realizing them. We then formalize effective symmetry breaking via neuron identifiability across independent training runs. Our analysis shows that neural networks can admit large families of approximately equivalent solutions even in structurally asymmetric models. We further show that neuron identifiability enables representation merging without prior alignment, and characterize when such merging admits a linear low-loss path. These findings highlight the role of effective function classes in affecting the loss landscape.

Physics-informed neural networks (PINNs) have become a promising framework for simulating partial differential equations (PDEs) by embedding physical laws directly into neural network training. However, recent studies show that PINN optimisation is sensitive to numerical precision. Existing implementations commonly use either single precision (FP32), which is computationally efficient but prone to failure modes, or double precision (FP64), which is robust but substantially expensive. This creates a trade-off between computational efficiency and numerical accuracy. To reduce the computational cost of double-precision training while retaining prediction accuracy, we propose a curvature-aware precision controller that adapts numerical precision during training rather than treating it as a fixed implementation choice. The proposed method reuses curvature information derived from the limited-memory BFGS (L-BFGS) optimiser to construct a precision controller, retaining FP32 when lower precision is sufficient and promoting computation to FP64 when the training dynamics indicate numerical sensitivity or precision-limited stagnation. We evaluate the proposed approach on four canonical PINN failure-mode benchmarks and an irradiance-driven ordinary differential equation example. We further test the proposed approach across different neural network architectures. The method consistently matches or even slightly exceeds full FP64 solution accuracy while reducing training time relative to full double-precision training on all benchmark equations. The obtained results indicate that precision sensitivity in PINN optimisation is phase-dependent, and that selectively applying higher precision only during numerically critical stages can lower computational cost without sacrificing predictive accuracy.

Many researchers investigated neural networks with some of their weights fixed to values randomly drawn from a given distribution, e.g., $N(0, I)$. Our proposed HalfNet draws random weights from $N(0, Σ)$, where $Σ$, which defines the geometry of the distribution, has a low-rank factorization that we learn from data. Experiments on MNIST and CIFAR-10 demonstrate that HalfNet can match the performance of fully trained multilayer perceptrons while using substantially fewer parameters. Spectral analysis indicates that much of the predictive power of neural networks lies in the geometry of their weight space rather than in the precise values of individual parameters, and we observe that accuracy scales smoothly with rank. HalfNet is not a neural architecture trick for low-rank structure; it implements a data-dependent random embedding that can also be interpreted through supervised metric learning, or random-feature and kernel perspectives.

Genomic foundation models increasingly adopt large language model architectures, yet almost universally rely on fixed tokenization schemes such as $k$-mers, BPE, or single nucleotides, which impose arbitrary sequence boundaries that may obscure biologically relevant structure. We present LDARNet, a 120M-parameter hierarchical genomic foundation model that adapts H-Net-style dynamic chunking from autoregressive generation to masked language modeling, combining BiMamba-2 state-space layers with local attention, bidirectional routing, and a ratio-based regularizer to induce adaptive token boundaries without supervision. Fine-tuned on 27 tasks from the Nucleotide Transformer and Genomic Benchmarks suites, LDARNet achieves 11/18 wins among compact models ($<$300M parameters) and state-of-the-art results on 5 histone modification tasks, outperforming models up to 20$\times$ larger. A FLOPs-matched controlled experiment isolates learned routing as the source of these gains: learned boundaries beat fixed-grid boundaries by up to 14 percentage points on histone tasks at identical compute. Nucleotide-resolution analysis further shows that the learned boundaries align with canonical promoter motifs and splice junctions without supervision, providing a biological interpretation for adaptive tokenization in genomic foundation models.

In this paper, we study the gradient descent dynamics for jointly training both layers of a one-hidden-layer ReLU network to fit a linear target function. Concretely, we consider a realizable setting where inputs are drawn i.i.d. from a Gaussian distribution and labels follow a planted linear model. This stylized framework captures salient features of end-to-end training in inverse problems and certain auto-encoder models. Despite its apparent simplicity, the dynamics remain poorly understood, in part because the loss landscape contains multiple non-strict saddle points, making it unclear why gradient descent from random initialization reliably escapes bad stationary regions. We provide a detailed characterization of the optimization landscape and prove that gradient descent from a moderately small random initialization-simultaneously training both layers-converges to a global minimizer at a linear rate with order-wise optimal sample complexity. Our analysis tracks the trajectory through three phases: an alignment phase in which hidden weights progressively align with the planted direction while the output weights maintain the correct sign pattern; a growth phase in which the norms of both layers increase while preserving alignment; and a local refinement phase in which the aligned neurons rapidly converge to the planted direction, yielding fast local convergence. To rigorously show that GD avoids non-strict saddles, we develop trajectory-level control arguments for the end-to-end dynamics. In addition, we establish novel uniform concentration results that hold along the entire trajectory, and are essential for obtaining order-wise optimal sample complexity. We corroborate our theory with extensive experiments across a range of configurations.

A common heuristic used to explain the generalization of first-order gradient methods on non-convex neural networks is that "flat interpolators generalize well" (Hochreiter and Schmidhuber, 1994; Keskar et al., 2017), where flatness can be measured by the trace of the Hessian of the empirical loss. However, Dinh et al. 2017) showed that, using symmetry of the network that can change flatness while keeping the population and empirical losses unchanged, any interpolator can be made sharper or flatter. This result makes the earlier heuristic statement vacuous. In this paper, we show that for learning an unknown multi-index model with $2$-layer non-convex homogeneous neural networks, there is a connection between flatness and generalization, despite the existence of symmetries. This connection pertains to the "flattest" interpolators, i.e., the interpolators that have orderwise minimum flatness among all interpolators. First, we show that there exists a natural class of non-generalizing interpolators whose flatness cannot be made closer to the flattest possible, even using symmetries. Second, we show that for data generated by a sum of single-index models, if the approximation error and label noise are low, any flattest interpolator achieves small population loss, i.e., the flattest interpolators always generalize. This establishes a direct link between flatness and generalization which applies to a large class of activations and realistic data distributions.

We find the asymptotic ratio between the storage capacities when enforcing real pre-activations in a complex hypothesis class as opposed to complex ones in the same class. We use weights drawn from the complex Gaussian, which converge asymptotically in norm to the square root of dimension almost surely. Our methods depend on Gardner volume-type comparisons at critical capacity. Our proof relies on an application of the Harish-Chandra-Itzykson-Zuber (HCIZ) formula, nonstandard in literature. With the HCIZ formula, we may obtain a more robust approximation for the final asymptotic ratio. This strategy is applicable to our work specifically since we integrate over the unitary and orthogonal compact manifolds, facilitated via the Weyl integration formula and the Haar measure.

We investigate the geometric structure of stationary plateaus that arise in the loss landscape of two-layer neural networks with smooth activation functions. We focus on the phenomenon of "neuron splitting" where duplicating a hidden neuron yields an affine set of stationary points in a wider network. We provide a comprehensive classification of all stationary points on these plateaus, determining under what conditions they constitute local minima or saddle points. Our characterization hinges on a per-neuron curvature object we term the "inner Hessian" matrix. Our analysis reveals that the definiteness of the inner Hessian and the choice of splitting coefficients jointly dictate the local geometry of the plateau. We show that "splitting" a local minimum can yield either a mixture of local minima and saddles or an all-saddle plateau, with a concrete sure-saddle region identified under mild assumptions. In contrast, splitting a saddle point always produces a plateau of saddle points. Our results unify and extend prior landscape analyses, elucidating when and how model expansion preserves or alters the nature of stationary points. These findings offer new geometric insights into the effects of width expansion and reparameterization in neural networks.

As neural networks are increasingly deployed in safety-critical domains, testing is essential to evaluate and improve their reliability. Existing testing methods, whether black-box or white-box, primarily use global mutation or coverage-guided strategies, both of which struggle to efficiently uncover diverse model failures while remaining proximate to the original data distribution and semantics. We propose BayesWarp, a testing framework that addresses this limitation by mutating decision-critical input regions identified via interpretable saliency techniques and adaptively guiding the testing process using an uncertainty-aware Bayesian Optimization strategy, enabling the discovery of diverse failures while preserving distributional and semantic proximity to the original data. Evaluation on MNIST, CIFAR-10, and ImageNet across six neural network models shows that BayesWarp improves failure discovery, failure diversity, test case quality, and critical neuron coverage under a fixed mutation budget. These results demonstrate that BayesWarp improves testing effectiveness. Moreover, fine-tuning with the generated failure cases leads to improvements in model performance.

Deep Neural Networks (DNNs) are increasingly being deployed in security-critical and safety-sensitive applications, which makes rigorous testing essential to identify and mitigate model weaknesses. Existing DNN testing approaches explore either the input space or a learned latent space. While latent-space generation can better maintain plausibility than direct input-space mutation, current methods still face a trade-off among exploration controllability, failure diversity, and seed-relative semantic drift. To overcome these limitations, we propose Latte, a black-box testing framework that generates semantically proximate, diverse, and fault-revealing test cases by leveraging the latent space. Specifically, Latte encodes each input seed with a pre-trained VQ-VAE and performs a seed-centered, one-step latent mutation along directions defined by anchors sampled from alternative classes, followed by quantization and decoding back to the input space. This explores local neighborhoods around each seed within the learned latent manifold, resulting in a larger number and broader diversity of oracle-triggering prediction discrepancies under the same budget. We evaluated Latte on 5 datasets and 10 DNN models in single-model and multi-model testing scenarios. Across the evaluated datasets and models, Latte improves fault exposure and behavioral diversity under matched testing budgets. Under the single-model setting, it also maintains low seed-relative semantic drift with respect to the source seeds.

Deep neural networks (DNNs) are used in a variety of real-world applications including, for example, image classification and speech recognition. The inference accuracy of DNN implemented on hardware in integrated circuits (ICs) degrades under phenomena such as transistor aging. Aging slows down the switching speed of transistors, resulting in system-level timing violations due to unsustainable clocks. To maintain reliability for the entire projected lifetime, designers add guardbands to prevent timing violations; however, adding large timing guardbands causes losses in performance (speed or throughput). This chapter provides a detailed discussion of the effects of long-term and short-term transistor aging on DNN inference accuracy. Furthermore, to mitigate aging effects on DNN's accuracy and keep them at bay, a methodology for aging-aware retraining is presented in order to generate a resilient DNN even when aggressive (i.e., smaller than required) guardbands are used. This improves the inference accuracy of the DNNs even in the presence of aging-induced degradation. These effects are discussed in this chapter along with mitigation strategies on a hardware implementation of a DNN for image classification on an off-the-shelf image dataset. The application of short-term aging as an excitation mechanism for the detection of hardware Trojans in integrated circuits is also briefly discussed.

We investigate whether neuron populations within neural networks evolve predictably with scale, extending scaling laws beyond macroscopic observables such as loss. To probe this question, we study Rosetta Neurons, a previously characterized class of neurons whose activation patterns are similar across independently trained models (Dravid et al., 2023). In separate analyses of language models up to 30B parameters and vision models up to 5B parameters, we observe that the population of Rosetta Neurons follows a sublinear power law in model size, growing in absolute number but occupying a shrinking fraction of the total neuron count. We further observe a Neuron Polarization Effect: Rosetta Neurons become more selective and increasingly monosemantic with scale, separating from a growing non-Rosetta population that remains less selective. An analytical model balancing feature utility against limited neuron capacity explains the sublinear power-law scaling and this polarization effect. Finally, we find that Rosetta Neurons become more domain-specialized with scale and illustrate their selectivity through a targeted data-filtering case study for continued pretraining. Our results point to a scaling law for interpretable, shared neuron-level structure, linking model size to systematic changes in neuron universality, selectivity, and specialization.

Determining the neutrino mass ordering remains a central open problem in particle physics. While next-generation long-baseline experiments are expected to resolve this question, current data provide limited sensitivity because the spectral differences between normal and inverted ordering are subtle and entangled with parameter degeneracies. We investigate a machine-learning strategy for mass-ordering determination using a feed-forward neural-network classifier trained on synthetic long-baseline datasets generated with three-flavour oscillation probabilities, matter effects, and statistical fluctuations. We evaluate the classifier against standard $χ^2$ and $\log\mathcal{L}$ approaches using common discrimination metrics, including receiver-operating-characteristic curves, to quantify sensitivity and to illustrate how operating points can be selected to prioritise purity or efficiency. We find that the neural network achieves performance comparable to conventional fits for the scenarios studied, providing a flexible, independent cross-check of established analyses. The framework can be extended to incorporate systematic uncertainties and to explore joint inference of oscillation parameters, and it may also serve as a pedagogical tool for introducing machine-learning methods in neutrino physics.

Training quantum neural networks (QNNs) on quantum hardware is currently bottlenecked by the cost of gradient estimation: standard parameter-shift methods require a number of circuit evaluations that grows quadratically with the number of trainable parameters, making hardware-based optimisation impractical beyond small system sizes. In this work, we introduce a training framework that reduces this cost to logarithmic in the number of qubits, making gradient-based QNN optimisation feasible on near-term hardware at increasing scales. Our framework combines three co-designed ingredients: (i) a structured, subspace-preserving Butterfly circuit architecture with $O(n \log n)$ parameters and logarithmic depth; (ii) a layer-wise training strategy that confines on-hardware optimisation to one small, well-structured layer at a time; and (iii) a parallelised parameter-shift rule that exploits the commuting structure within each Butterfly layer to extract all gradients in a constant number of circuit executions. Together these reduce the number of distinct circuit evaluations per optimisation step from $O(n^2)$ to $O(\log n)$. We validate the framework on clinical data imputation using the MIMIC-III electronic health record dataset, a demanding benchmark sensitive to optimisation instability and model variance. Hybrid classical-quantum models are trained directly on IonQ Forte Enterprise trapped-ion hardware at 16 qubits without performance degradation relative to ideal or noisy simulation and via tensor-network simulation at 32 qubits, with 32-qubit inference executed on hardware. The resulting models match or exceed strong classical neural baselines in downstream patient survival prediction while exhibiting reduced variance across runs, demonstrating that the proposed framework enables practical, scalable QNN training under realistic hardware constraints.

Neural networks suffer from shortcut learning, where learned features generalize well to the training set but not to in-distribution (ID) or out-of-distribution (OOD) test sets. Existing studies are all based on a few standard benchmarks, which are shape-driven. Numerous application domains, however, are texture-driven. In this work, we present shortcut learning analysis for texture-driven domains, and compare it with that of a standard benchmark. We show that texture-driven domains suffer from low-frequency shortcuts. They make the majority of their decisions based on a few low-frequency components (LFCs) with a skewed spectral behavior, despite that their classification information is in higher-frequency, fine-grained details. Pruning LFCs from training and test sets eliminates the shortcut and provides a more balanced spectral behavior, improving the ID accuracy by up to 8%. We show that low-frequency shortcuts make the models highly vulnerable to OOD corruptions, leading up to 70% accuracy drop compared to the ID accuracy. Pruning LFCs significantly improves robustness to low-frequency corruptions, by up to 40%, and introduces a trade-off for high-frequency corruptions; the balanced spectral behavior provides a better generalization performance, whereas the increased dependence on high-frequency features reduces it. OOD accuracy depends on the interaction between these two factors.

The graphical representation of the brain offers critical insights into diagnosing and prognosing neurodegenerative disease via relationships between regions of interest (ROIs). Despite recent emergence of various Graph Neural Networks (GNNs) to effectively capture the relational information, there remain inherent limitations in interpreting the brain networks. Specifically, convolutional approaches ineffectively aggregate information from distant neighborhoods, while attention-based methods exhibit deficiencies in capturing node-centric information, particularly in retaining critical characteristics from pivotal nodes. These shortcomings reveal challenges for identifying disease-specific variation from diverse features from different modalities. In this regard, we propose an integrated framework guiding diffusion process at each node by a downstream transformer where both short- and long-range properties of graphs are aggregated via diffusion-kernel and multi-head attention respectively. We demonstrate the superiority of our model by improving performance of pre-clinical Alzheimer's disease (AD) classification with various modalities. Also, our model adeptly identifies key ROIs that are closely associated with the preclinical stages of AD, marking a significant potential for early diagnosis and prevision of the disease.

Recent work shows that language models can transmit behavioural traits through hidden signals in generated data during training. We ask whether a different activation-mediated channel is viable: can one language model communicate a useful intermediate reasoning state to another at inference time through a post-hoc linear activation bridge, rather than through a textual or structured-token relay? We test this question in a controlled Pythia-160M to Pythia-410M multi-hop reasoning setting. A linear translation layer learns a strong normalized-space map between sender and receiver hidden states, with normalized cosine similarity near 0.97 across seeds. However, when the translated activations are injected into the receiver at inference time, they do not improve downstream answering. Low-strength additive injection remains near the no-injection baseline, with confidence intervals that cross zero. Replacement-style injection is consistently destructive, and rescaling translated vectors to the receiver hidden-state norm does not rescue performance. The result is therefore a scoped negative result: in this setting, offline representational alignment is not sufficient for useful causal communication inside the receiver.

Deep learning proxies for Alternating Current Optimal Power Flow (ACOPF) lack systematic methods for determining architectural size. This paper conducts a constructive thought experiment to answer a fundamental inquiry: how wide must a neural network be to almost accurately approximate the ACOPF manifold? We introduce a Loss-Guided Neural Densification (LG-ND) algorithm that incrementally discovers necessary capacity by expanding only when the current deep neural network topology fails to improve further. Empirical results across various IEEE systems show that LG-ND achieves performance parity with literature baselines using up to ten times fewer neurons per layer. Such architectural minimalism is critical for the formal verification required in safety-critical grid operations.

Understanding how structured internal structure emerges during neural network training is central to the study of deep learning. We investigate this phenomenon through the group composition task, where a two-layer neural network is trained to predict $g_1 \star g_2$ for elements of a finite group $G$. By lifting the projected gradient flow to the Fourier domain, we demonstrate that the training dynamics are governed by a Riemannian gradient ascent on a representation-theoretic energy functional. We prove that, under random initialization, this flow drives each neuron to converge almost surely toward a single irreducible representation, while the cross-layer Fourier coefficients achieve a rotational rank-one alignment. This framework provides a representation-theoretic account of feature learning and characterizes a novel low-rank compression phenomenon for matrix-valued group representations. Moreover, for Abelian groups, we provide a complete population-level description: random initialization promotes uniform diversification across nontrivial representations and induces Haar-uniform phases, jointly approximating the indicator via a majority-vote mechanism. We further prove that both phase alignment and representation competition emerge with exponential convergence rates.