Neural Network

Evolutionary methods have long been useful for analysis and explanation in genetics, biology, ecology, and related fields. In this work, we extend these methods to neural networks, specifically large language models (LLMs), to better analyze and explain relationships among models. We show how relating weights to genotypes and output text to phenotypes can improve our understanding of model lineage, important datasets, the roles of different model layers, and visualization of model relationships. We demonstrate this in a controlled experiment, where our estimated evolutionary trees reliably recover the topology of the ground-truth training tree. We further identify the most important weight layers according to weight differences and show through phenotypic experiments that one training dataset appears to contribute more useful information than the others. Finally, we generate an unsupervised evolutionary tree of black-box foundation models. Throughout, we provide visualizations that support a clearer understanding of evolutionary relationships among LLMs.

We provide a mathematical interpretation of convolutional (or message passing) neural networks by using presheaves and copresheaves of the set of continuous functions over a topological space. Based on this interpretation, we formulate a theoretical heuristic which elaborates a number of empirical limitations of these neural networks by using obstructions on such sets of continuous functions over a topological space to be sheaves or copresheaves.

Technological advancements in cryptocurrency markets have increased accessibility for investors, but concurrently exposed them to the risks of market manipulations. Existing fraud detection mechanisms typically rely on machine learning methods that treat each financial asset (i.e., token) and its related transactions independently. However, market manipulation strategies are rarely isolated events, but are rather characterized by coordination, repetition, and frequent transfers among related assets. This suggests that relational structure constitutes an integral component of the signal and can be effectively represented through graphical means. In this paper, we propose three graph construction methods that rely on aggregated hourly market data. The proposed graphs are processed by a unified spatio-temporal Graph Neural Network (GNN) architecture that combines attention-based spatial aggregation with temporal Transformer encoding. We evaluate our methodology on a real-world dataset comprised of pump-and-dump schemes in cryptocurrency markets, spanning a period of over three years. Our comparative results showcase that our graph-based models achieve significant improvements over standard machine learning baselines in detecting anomalous events. Our work highlights that learned market connectivity provides substantial gains for detecting coordinated market manipulation schemes.

Electroencephalography (EEG) is highly susceptible to artifact contamination, such as electrooculographic (EOG) and electromyographic (EMG) interference, which severely degrades signal quality and hinders reliable interpretation in applications including neurological diagnosis, brain-computer interfaces (BCIs), etc. Effective EEG denoising remains challenging because different artifact sources exhibit diverse and temporally varying distributions, together with distinct spectral characteristics across frequency bands. To address these issues, we propose BandRouteNet, an adaptive frequency-aware neural network for EEG denoising that jointly exploits band-specific processing and full-band contextual modeling. The proposed model performs band-wise denoising to explicitly capture frequency-dependent artifact patterns. Within this framework, we introduce a routing mechanism that adaptively determines where and to what extent denoising should be applied across temporal locations within each frequency band. In parallel, a full-band conditioner directly processes the original noisy EEG to extract global temporal context, producing both conditional parameters for modulating the band-wise pathway and a coarse-grained signal-level refinement to supplement the final reconstruction. Extensive experiments on the EEGDenoiseNet benchmark dataset demonstrate that BandRouteNet outperforms other methods under EOG, EMG, and mixed-artifact conditions in terms of Relative Root Mean Square Error (RRMSE) and Signal-to-Noise Ratio Improvement (SNR$_{\text{imp}}$) under unified experimental settings, while remaining highly parameter-efficient with only 0.2M trainable parameters. These results highlight its strong potential for high-performance EEG artifact removal in resource-constrained applications.

We investigate the explanability properties of the recently proposed linear-min-max neural networks. At initialization, they can be interpreted as k-medoids with the infinity norm as a distance. Then, they are trained using subgradient descent to better fit the data. The model has been shown to be a universal approximator. Yet, we can trace the decision process because a single most activated neuron is responsible for the value of the output. Using this property, we designed a pixel fragility measure that determines whether changes to a single pixel may be responsible to a change in the classification output. Experiments on the PneumoniaMnist dataset show that this explanation for the output of the neural network compares favorably to SHAP and Integrated Gradient.

What do recurrent neural networks, polynomial ODEs, and discrete polynomial maps each bring to computation, and what do they lack? All three operate over the continuum--real-valued states evolved by real-valued dynamics--even when the target functions are discrete. We study them through primitive recursion. We prove that primitive recursion admits equivalent characterizations in all three frameworks: bounded iteration of a fixed recurrent ReLU network, robust computation by a fixed polynomial ODE, and iteration of a fixed polynomial map with an externally supplied step-size parameter. In each, the time bound is itself primitive recursive, composition emerges from the dynamics rather than as a closure rule, and inputs are raw integer vectors. Every primitive recursive function is first compiled into bounded iteration of a single threshold-affine normal form, then interpreted as a ReLU computation and as a polynomial ODE. The equivalences expose a structural asymmetry: no fixed polynomial map can round uniformly to the nearest integer or realize exact phase selection--operations polynomial ODEs perform robustly via continuous-time flow. Each formalism compensates for a limitation the others lack: the ReLU gate provides exact branching, continuous time provides autonomous rounding and control, and the step-size parameter recovers both at the cost of discretization precision. This opens dynamical characterizations of subrecursive hierarchies and complexity classes by restricting time bounds, polynomial degrees, or discretization resources within one framework. More broadly, these models do not compute by composing subroutines: they shape the trajectory of a dynamical system through clocks, phase selectors, and error correction built into the dynamics. This differs structurally from symbolic programming, and our theorem gives a precise framework to study the difference.

In this work, we extend the class of previously introduced non-Euclidean neural quantum states (NQS) which consists only of Poincare hyperbolic GRU, to new variants including Poincare RNN as well as Lorentz RNN and Lorentz GRU. In addition to constructing the new non-Euclidean hyperbolic NQS ansatzes, we generalize the results of our earlier work regarding the definitive outperformances delivered by hyperbolic Poincare GRU NQS when benchmarked against their Euclidean counterparts in the Variational Monte Carlo (VMC) experiments involving the Heisenberg $J_1J_2$ and $J_1J_2J_3$ models. Here, using larger systems consisting of 100 spins, we find that all four hyperbolic RNN/GRU NQS variants always outperform their respective Euclidean counterpart with the same architecture. In our experiments, among the four hyperbolic NQS, Lorentz RNN stands out in particular because despite having almost three times fewer parameters, it is capable of surpassing the more complex Poincare GRU and Lorentz GRU to emerge as the best overall hyperbolic NQS ansatz on many instances involving different $J_2$ and ($J_2, J_3$) couplings. Given the findings from this work showing that the four newly constructed hyperbolic RNN/GRU NQS ansatzes are able to outperform the well-established Euclidean RNN/GRU NQS in Heisenberg spin models, we establish the utility and efficiency of the hyperbolic Poincare RNN/GRU and Lorentz RNN/GRU NQS for future variational studies of quantum many-body systems, especially those exhibiting a hierarchical structure in the form of the different degrees of nearest-neighbor interactions.

Monocular depth estimation (MDE) has witnessed remarkable progress driven by Convolutional Neural Networks and transformer-based architectures. However, these approaches typically treat the problem as a generic image-to-image regression on Euclidean grids, thereby overlooking the intrinsic algebraic and geometric structures induced by perspective projection. To address this limitation, we propose LAGRNet, a novel framework that fundamentally grounds MDE in algebraic geometry by explicitly embedding learnable group, ring, and sheaf structures into the deep learning pipeline. Modeling feature maps as sections of a sheaf over an approximated image manifold, our method first establishes a Group-defined Feature Manifold (GFM) parameterized by a learned algebraic group action to enforce projective equivariance and robustness against view changes. To facilitate algebraically consistent cross-scale interactions, we subsequently introduce a Ring Convolution Layer (RCL) that formulates feature fusion as a graded ring homomorphism. Furthermore, to ensure global topological consistency, a Sheaf-based Module (SM) aggregates local depth cues via Čech nerve on the image topology. Extensive zero-shot evaluations across the KITTI, NYU-Depth V2, and ETH3D benchmarks demonstrate that LAGRNet significantly outperforms state-of-the-art methods in both accuracy and generalization capabilities.

The need to burn 100% H2 in high efficient gas turbines featuring low NOx combustion in premix mode require the complete redesign of the combustion system to ensure stable operation without any flashback. Since all engine frames featuring a power range from 4 MW up to 600 MW are affected, a huge design effort is expected. To reduce this effort, especially to transfer knowledge between the different engine classes, generative design methods using latest AI technology will provide promising potential. In this work, this challenge is approached utilizing the current advances in generative artificial intelligence. We train an Invertible Neural Network (INN) on an expandable database of geometrically parameterized combustor designs with simulated performance labels. Utilizing the INN in its inverse direction, multiple design proposals are generated which fulfill specified performance labels.

Training large-scale deep neural networks effectively and stably is essential for applying deep learning across various fields. However, conventional methods, which rely on training a single large network, often encounter challenges such as gradient vanishing, overfitting and unstable learning. To overcome these limitations, we introduce Self-Abstraction Learning (SAL), a hierarchical framework. In SAL, networks are arranged by structural complexity, where the simplest topmost network is trained first and its hidden and output layers serve as guidance for the successively more complex networks below. This top-down sequential guidance effectively mitigates optimization issues, enabling stable training of deep architectures. Various experiments across MLP, CNN, and RNN architectures demonstrate that SAL consistently outperforms conventional methods, ensuring robust generalization even in data-scarce and complex network regimes.

The Laplacian operator transforms the image into its Laplacian field, which usually is sparse and satisfies a stable distribution. On the other hand, an image can be uniquely reconstructed from its Laplacian field via solving a Poisson equation with a proper boundary condition. Such uniqueness is mathematically guaranteed. Thanks to these properties, we propose to use the sparse Laplacian field to present the image. We first show that the Laplacian field is sparse and satisfies a stable distribution on hundreds images. Then, we show that the image can be accurately reconstruct from its Laplacian field. For the reconstruction task, we propose a shared-kernel wavelet neural network, which solves the Poisson equation and has three advantages. First, it has less than {\bf 0.0002M} parameters, which is compact enough for most of devices. Second, it has linear computation complexity, leading to a real-time reconstruction. Third, it achieves higher accuracy than previous methods. Several numerical experiments are conducted to show the effectiveness and efficiency of the sparse Laplacian field and the proposed Poisson solver. The proposed method can be applied in a large range of applications such as image compression, low light enhancement, object tracking, etc.

Randomized neural networks (RaNNs) are attractive for partial differential equations (PDEs) because they replace expensive end-to-end training with a linear least-squares solve over randomized hidden features. Their practical performance, however, depends strongly on the sampling distribution of the hidden-layer parameters, which is usually chosen heuristically and problem by problem. This distribution sensitivity is a central bottleneck in randomized neural PDE solvers. In this work, we propose Adaptive-Distribution Randomized Neural Networks (AD-RaNN), a framework that promotes randomized feature generation from a fixed heuristic choice to a low-dimensional adaptive optimization problem. Instead of training all hidden weights and biases, AD-RaNN parameterizes the hidden-feature sampling distribution by a low-dimensional vector p and optimizes only p, thereby preserving the least-squares structure of RaNNs while reducing manual distribution tuning. The method uses a two-stage strategy: ridge-regularized reduced training for stable distribution-parameter optimization, followed by an unregularized least-squares refit for final solution recovery. We develop two adaptive mechanisms, PDE-Driven Adaptive Distribution (PDAD) and Data-Driven Adaptive Distribution (DDAD), and deploy them in space-time solvers, discrete-time solvers, and operator-learning models. We also incorporate an adaptive layer-growth enhancement for localized structures. For the reduced optimization problem, we establish well-posedness of the reduced objectives, consistency of ridge-regularized minimizers, an efficient gradient formula, and a practical lower-bound estimate for the ridge parameter. Numerical experiments on benchmark problems show that AD-RaNN provides an effective distribution-level adaptation mechanism, reduces reliance on hand-crafted hidden-feature distributions, and achieves strong empirical accuracy.

Spiking Neural Networks (SNNs) have garnered increasing attention as one of bio-inspired models due to their great potential in neuromorphic computing and sparse computation. Many practical algorithms and techniques have been developed; however, theoretical understandings of the generalization, that is, the extent to which SNNs perform well on unseen data, are far from clear. Recent advances disclosed an excitation-dependent and architecture-related generalization bound such that the Rademacher complexity of SNNs with stochastic firing can be upper bounded by an exponential function relative to the excitation probability and the architecture depth. In this paper, we theoretically investigate the generalization bounds of SNNs with several integration-and-fire schemes via Rademacher complexity. We recognize that the empirical Rademacher complexity of SNNs is close to the SNN configurations, which is exponential to the network depth and the maximum time duration of received spike sequences, superlinear and subquadratic to the network width, polynomial to the parameter norm, inverse-linear to the number of training samples, and independent of the computations within spiking neurons, achieving a more precise rate than conventional studies. Our theoretical results may support the scope of SNN theories and shed some insight into the development of SNNs.

High-entropy alloys (HEAs) have attracted growing attention for their exceptional mechanical and thermal properties arising from complex atomic configurations. In this paper, we propose crystal fractional graph neural network for predicting the energy of high-entropy alloys by explicitly integrating both local atomic environments and global compositional information. The model consists of three components: a crystal graph neural network, which employs graph attention network layers to learn local interactions among 16 on-site atoms within the crystal lattice; fractional neural network, a fully connected network that embeds the global fraction of constituent elements; and feature fusion neural network, which fuses the outputs of the two submodels to predict the total crystal energy. We train the model on a dataset of 1,049 crystal structures and validate it on 198 quaternary structures, optimizing all hyperparameters via Optuna. Our results show that our model achieves an RMSE comparable to first-principles calculations and maintains high accuracy even for low-energy configurations. However, the model exhibits limitations in handling large crystal cells, which we aim to address in future work to extend its applicability to more complex systems.

Due to the unprecedented success of deep learning, it has become an integral component in several multimedia computing applications in todays world. Unfortunately, deep learning systems are not perfect and can fail, sometimes abruptly, without prior warning or explanation. While reducing the error rate of deep neural networks has been the primary focus of the multimedia community, the problem of predicting when a deep learning system is going to fail has received significantly less research attention. In this paper, we propose a simple yet effective framework, MetaErr, to address this under-explored problem in deep learning research. We train a meta-model whose goal is to predict whether a base deep neural network will succeed or fail in predicting a particular data sample, by observing the base models performance on a given learning task. The meta-model is completely agnostic of the architecture and training parameters of the base model. Such an error prediction system can be immensely useful in a variety of smart multimedia applications. Our empirical studies corroborate the promise and potential of our framework against competing baselines. We further demonstrate the usefulness of our framework to improve the performance of pseudo-labeling-based semi-supervised learning, and show that MetaErr outperforms several strong baselines on three benchmark computer vision datasets.

In this work, we developed and tested 3 techniques for vector quantization (VQ) based model weight compression. To mitigate codebook collapse and enable end-to-end training, we adopted cosine similarity-based assignment. Building on ideas from attention-based formulations in Differentiable K-Means (DKM), we further improved this approach by using cosine similarity for assignment combined with top-1 sampling and a straight-through estimator, thereby eliminating the need for weighted-average reconstruction. Finally, we investigated the use of differentiable neural architecture search (NAS) to adaptively select layer-wise quantization configurations, further optimizing the compression process. Although our method does not consistently outperform existing approaches across all quantization levels, it provides useful insights into the design trade-offs and behaviors of VQ-based model compression methods.

Natural gas is undoubtedly an essential component of the global energy system. Accurate short-term forecasting of natural gas price is challenging due to pronounced volatility driven by seasonal demand patterns, geopolitical developments, and shifting macroeconomic conditions. The nonlinear dynamics and frequent regime changes can limit the effectiveness of traditional time-series models. In this study, we explore the use of Liquid Neural Networks (LNNs) for short-horizon forecasting of the Henry Hub spot price, a primary benchmark for pricing. LNNs are designed to adapt continuously to evolving temporal patterns through dynamic internal state updates, making them well suited for nonstationary price behavior. By improving forecast accuracy in volatile market conditions, this work aims to reduce uncertainty and enhance decision support across energy trading and power market applications.

In this paper, we propose a Physics-Informed Neural Network framework for time-dependent simulations of pollution propagation originating from moving emission sources. We formulate a robust variational framework for the time-dependent advection-diffusion problem and establish the boundedness and inf-sup stability of the corresponding discrete weak formulation. Based on this mathematical foundation, we construct a robust loss function that is directly related to the true approximation error, defined as the difference between the neural network approximation and the (unknown) exact solution. Additionally, a collocation-based strategy is introduced to speed up neural network training. As a case study, we investigate pollution propagation caused by snowmobile traffic in Longyearbyen, Spitsbergen, supported by detailed in-field measurements collected using dedicated sensors. The proposed framework is applied to analyze the effects of thermal inversion on pollutant accumulation. Our results demonstrate that thermal inversion traps dense and humid air masses near the ground, significantly enhancing particulate matter (PM) concentration and worsening local air quality.

Most Neural Networks (NNs) for classification are trained using Cross-Entropy as a loss function. This approach requires the model to have an explicit classification layer. However, there exist alternative approaches, such as Contrastive Learning (CL). Instead of explicitly operating a classification, CL has the NN produce an embedding space where projections of similar data are pulled together, while projections of dissimilar data are pushed apart. In the case of Supervised CL (SCL), labels are adopted as similarity criteria, thus creating an embedding space where the projected data points are well-clustered. SCL provides crucial advantages over CE with regard to adversarial robustness and out-of-distribution detection, thus making it a more natural choice in safety-critical scenarios. In the present paper, we empirically show that NNs for image classification trained with SCL present higher-quality feature attribution explanations than CL with regard to faithfulness, complexity, and continuity. These results reinforce previous findings about CL-based approaches when targeting more trustworthy and transparent NNs and can guide practitioners in the selection of training objectives targeting not only accuracy, but also transparency of the models.

Neural activation coverage (NAC) is a recently-proposed technique for out-of-distribution detection and generalization. We build upon this promising foundation and extend the method to work as an uncertainty estimation technique for already-trained artificial neural networks in the domain of regression. Our experiments confirm NAC uncertainty scores to be more meaningful than other techniques, e.g. Monte-Carlo Dropout.

This work presents ROSA, a microring-based optical neural network architecture that improves robustness and energy efficiency using an optical shift-and-add (OSA) module and a layer-wise hybrid mapping strategy. It introduces a noise-aware voltage-to-weight model considering DAC and thermal variations, and a workload-aware framework to co-optimize MRR array size and layer-wise dataflow. Optimized arrays reduce the aggregated relative energy-delay product (EDP) by 64% and 26% compared with DEAP-CNNs and a general compact array, respectively. OSA further contributes 29% EDP reduction. The proposed hybrid mapping strategy improves CIFAR-10 accuracy by 8.3% over weight-stationary mapping while achieving an average 54.7% lower EDP than DEAP-CNNs.

An artificial world of barriers and plains scattered with food is used to test the feasibility of using genetic algorithms to optimize hebbian neural networks to perform on problems without apriori knowledge of the problem domain. A formal L-System based genetic alphabet for neural networks, titled Lsys, and a neural network genetic modeling tool titled Wp1hgn are introduced. Lsys and Matrix neural network topology genetic encoding methods are compared across 24 experimental runs. Lsys encoding achieved a mean maximum food count of 3802 +- 197 at generation 1000 across 8 runs with varied parameters, compared to 1388 +- 610 for Matrix encoding, a 2.74x performance advantage with an 8.5-fold improvement in consistency as measured by coefficient of variation (5.2% vs 44.0%). All 8 Lsys populations successfully learned to navigate the environment, while 4 of 8 Matrix populations failed to achieve competitive performance at any point during 1000 generations. When transferred to a novel maze environment, Lsys populations demonstrated immediate robust generalization, achieving a mean maximum food count of 2455 +- 176 compared to 422 +- 212 for Matrix populations, a 5.82x advantage that exceeded the training world performance gap. A MatrixLSG control condition, in which initial populations were generated using Lsys genotypes and then evolved using Matrix operators, demonstrated that the performance advantage of Lsys encoding derives primarily from the genetic algorithm operating on the compressed symbolic Lsys alphabet throughout evolution rather than from initial population structure. Lsys encoding is shown to provide faster convergence, higher peak performance, dramatically greater reliability, and superior generalization to novel environments compared to Matrix encoding across all experimental conditions tested.

The problem of probabilistic verification of a neural network investigates the probability of satisfying the safe constraints in the output space when the input is given by a probability distribution. It is significant to answer this problem when the input is affected by disturbances often modeled by probabilistic variables. In the paper, we propose a novel neural network probabilistic verification framework which computes a guaranteed range for the safe probability by efficiently finding safe and unsafe probabilistic hulls. Our approach consists of three main innovations: (1) a state space subdivision strategy using regression trees to produce probabilistic hulls, (2) a boundary-aware sampling method which identifies the safety boundary in the input space using samples that are later used for building regression trees, and (3) iterative refinement with probabilistic prioritization for computing a guaranteed range for the safe probability. The accuracy and efficiency of our approach are evaluated on various benchmarks including ACAS Xu and a rocket lander controller. The result shows an obvious advantage over the state of the art.

Local gauge symmetry underlies fundamental interactions and strongly correlated quantum matter, yet existing machine-learning approaches lack a general, principled framework for learning under site-dependent symmetries, particularly for intrinsically nonlocal observables. Here we introduce a gauge-equivariant graph neural network that embeds non-Abelian symmetry directly into message passing via matrix-valued, gauge-covariant features and symmetry-compatible updates, extending equivariant learning from global to fully local symmetries. In this formulation, message passing implements gauge-covariant transport across the lattice, allowing nonlocal correlations and loop-like structures to emerge naturally from local operations. We validate the approach across pure gauge, gauge-matter, and dynamical regimes, establishing gauge-equivariant message passing as a general paradigm for learning in systems governed by local symmetry.

With the growing synergy between deep learning and quantum computing, Quantum Neural Networks (QNNs) have emerged as a promising paradigm by leveraging quantum parallelism and entanglement. However, testing QNNs remains underexplored due to their complex quantum dynamics and limited interpretability. Developing a mutation testing technique for QNNs is promising while requires addressing stochastic factors, including the inherent randomness of mutation operators and quantum measurements. To tackle these challenges, we propose QuanForge, a mutation testing framework specifically designed for QNNs. We first introduce statistical mutation killing to provide a more reliable criterion. QuanForge incorporates nine post-training mutation operators at both gate and parameter levels, capable of simulating various potential errors in quantum circuits. Finally, a mutant generation algorithm is formalized that systematically produces effective mutants, thereby enabling a robust and reliable mutation analysis. Through extensive experiments on benchmark datasets and QNN architectures, we show that QuanForge can effectively distinguish different test suites and localize vulnerable circuit regions, providing insights for data enhancement and structural assessment of QNNs. We also analyze the generation capabilities of different operators and evaluate performance under simulated noisy conditions to assess the practical feasibility of QuanForge for future quantum devices.

We establish a mathematical correspondence between state space models, a state-of-the-art architecture for capturing long-range dependencies in data, and an exactly solvable nonlinear oscillator network. As a specific example of this general correspondence, we analyze the diagonal linear time-invariant implementation of the Structured State Space Sequence model (S4). The correspondence embeds S4D, a specific implementation of S4, into a ring network topology, in which recent inputs are encoded, as waves of activity traveling over the one-dimensional spatial layout of the network. We then derive an exact operator expression for the full forward pass of S4D, yielding an analytical characterization of its complete input-output map. This expression reveals that the nonlinear decoder in the system induces interactions between these information-carrying waves that enable classifying real-world sequences. These results generalize across modern SSM architectures, and show that they admit an exact mathematical description with a clear physical interpretation. These insights enable a new level of interpretability for these systems in terms of nonlinear oscillator networks.

Fault location in distribution grids is critical for reliability and minimizing outage durations. Yet, it remains challenging due to partial observability, given sparse measurement infrastructure. Recent works show promising results by combining Recurrent Neural Networks (RNNs) and Graph Neural Networks (GNNs) for spatio-temporal learning. Still, many modern GNN architectures remain untested for this grid application, while existing GNN solutions have not explored GNN topology definitions beyond simply adopting the full grid topology to construct the GNN graph. We address these gaps by (i) systematically comparing a newly proposed graph-forming strategy (measured-only) to the traditional full-topology approach, and (ii) introducing STGNN (Spatio-temporal GNN) models based on GraphSAGE and an improved Graph Attention (GATv2), for distribution grid fault location; (iii) benchmarking them against state-of-the-art STGNN and RNN baselines on the IEEE 123-bus feeder. In our experiments, all evaluated STGNN variants achieve high performance and consistently outperform a pure RNN baseline, with improvements up to 11 percentage points F1. Among STGNN models, the newly explored RGATv2 and RGSAGE achieve only marginally higher F1 scores. Still, STGNNs demonstrate superior stability, with tight confidence intervals (within +/- 1.4%) compared to the RNN baseline (up to +/- 7.5%) across different experiment runs. Finally, our proposed reduced GNN topology (measured-only) shows clear benefits in both (i) model training time (6-fold reduction) and (ii) model performance (up to 11 points F1). This suggests that measured-only graphs offer a more practical, efficient, and robust framework for partially observable distribution grids.

Graph neural networks face two fundamental challenges rooted in the linear structure of Euclidean vector spaces: (1) Current architectures represent geometry through vectors (directions, gradients), yet many tasks require matrix-valued representations that capture relationships between directions-such as how atomic orientations covary in a molecule. These second-order representations are naturally captured by points on the symmetric positive definite matrices (SPD) manifold; (2) Standard message passing applies shared transformations across edges. Sheaf neural networks address this via edge-specific transformations, but existing formulations remain confined to vector spaces and therefore cannot propagate matrix-valued features. We address both challenges by developing the first sheaf neural network operates natively on the SPD manifold. Our key insight is that the SPD manifold admits a Lie group structure, enabling well-posed analogs of sheaf operators without projecting to Euclidean space. Theoretically, we prove that SPD-valued sheaves are strictly more expressive than Euclidean sheaves: they admit consistent configurations (global sections) that vector-valued sheaves cannot represent, directly translating to richer learned representations. Empirically, our sheaf convolution transforms effectively rank-1 directional inputs into full-rank matrices encoding local geometric structure. Our dual-stream architecture achieves SOTA on 6/7 MoleculeNet benchmarks, with the sheaf framework providing consistent depth robustness.

We establish central and non-central limit theorems for sequences of functionals of the Gaussian output of an infinitely-wide random neural network on the d-dimensional sphere . We show that the asymptotic behaviour of these functionals as the depth of the network increases depends crucially on the fixed points of the covariance function, resulting in three distinct limiting regimes: convergence to the same functional of a limiting Gaussian field, convergence to a Gaussian distribution, convergence to a distribution in the Qth Wiener chaos. Our proofs exploit tools that are now classical (Hermite expansions, Diagram Formula, Stein-Malliavin techniques), but also ideas which have never been used in similar contexts: in particular, the asymptotic behaviour is determined by the fixed-point structure of the iterative operator associated with the covariance, whose nature and stability governs the different limiting regimes.

Enforcing constraint satisfaction in neural network outputs is critical for safety, reliability, and physical fidelity in many control and decision-making applications. While soft-constrained methods penalize constraint violations during training, they do not guarantee constraint adherence during inference. Other approaches guarantee constraint satisfaction via a projection layer, but often rely on the existence of a tractable projection onto the feasible set, limiting their utility in more general problem settings. Many real-world problems of interest are nonlinear and lack the special structure admitting a tractable projection, motivating the development of methods that can enforce general nonlinear constraints. To this end, we introduce HardNet++, a constraint-satisfaction method that enforces linear and nonlinear equality and inequality constraints. Our approach iteratively adjusts the network output via damped local linearizations of the constraints. Each iteration is differentiable, admitting an end-to-end training framework, where the constraint satisfaction layer is active during training. We show that under certain regularity conditions, this procedure enforces nonlinear constraint satisfaction to arbitrary tolerance. Finally, we demonstrate tight constraint adherence without loss of optimality in a learning-for-optimization context, where we apply this method to a nonlinear model predictive control problem.

Recent work in the machine learning literature has demonstrated that deep learning can train neural networks made of discrete logic gate functions to perform simple image classification tasks at very high speeds on CPU, GPU and FPGA platforms. By virtue of being formed by discrete logic gates, these Differentiable Logic Gate Networks (DLGNs) lend themselves naturally to implementation in custom silicon - in this work we present a method to map DLGNs in a one-to-one fashion to a digital CMOS standard cell library by converting the trained model to a gate-level netlist. We also propose a novel loss function whereby the DLGN can optimize the area, and indirectly power consumption, of the resulting circuit by minimizing the expected area per neuron based on the area of the standard cells in the target standard cell library. Finally, we also show for the first time an implementation of a DLGN as a silicon circuit in simulation, performing layout of a DLGN in the SkyWater 130nm process as a custom hard macro using a Cadence standard cell library and performing post-layout power analysis. We find that our custom macro can perform classification on MNIST with 97% accuracy 41.8 million times a second at a power consumption of 83.88 mW.

Graph neural networks (GNNs) are the standard for learning on graphs, yet they have limited expressive power, often expressed in terms of the Weisfeiler-Leman (WL) hierarchy or within the framework of first-order logic. In this context, topological neural networks (TNNs) have recently emerged as a promising alternative for graph representation learning. By incorporating higher-order relational structures into message-passing schemes, TNNs offer higher representational power than traditional GNNs. However, a fundamental question remains open: what is the logical expressiveness of TNNs? Answering this allows us to characterize precisely which binary classifiers TNNs can represent. In this paper, we address this question by analyzing isomorphism tests derived from the underlying mechanisms of general TNNs. We introduce and investigate the power of higher-order variants of WL-based tests for combinatorial complexes, called $k$-CCWL test. In addition, we introduce the topological counting logic (TC$_k$), an extension of standard counting logic featuring a novel pairwise counting quantifier $\exists^{N}(x_i,x_j)\, \varphi(x_i,x_j),$ which explicitly quantifies pairs $(x_i, x_j)$ satisfying property $\varphi$. We rigorously prove the exact equivalence: $\text{k-CCWL} \equiv \text{TC}_{k{+}2} \equiv \text{Topological }(k{+}2)\text{-pebble game}.$ These results establish a logical expressiveness theory for TNNs.

With the accumulation of resources in the era of big data and the rise of pre-trained models in deep learning, optimizing neural networks for various tasks often involves different strategies for fine-tuning pre-trained models versus training from scratch. However, existing optimizers primarily focus on reducing the loss function by updating model parameters, without fully addressing the unique demands of these two major paradigms. In this paper, we propose DualOpt, a novel approach that decouples optimization techniques specifically tailored for these distinct training scenarios. For training from scratch, we introduce real-time layer-wise weight decay, designed to enhance both convergence and generalization by aligning with the characteristics of weight updates and network architecture. For more importantly fine-tuning, we integrate weight rollback with the optimizer, incorporating a rollback term into each weight update step. This ensures consistency in the weight distribution between upstream and downstream models, effectively mitigating knowledge forgetting and improving fine-tuning performance. Additionally, we extend the layer-wise weight decay to dynamically adjust the rollback levels across layers, adapting to the varying demands of different downstream tasks. Extensive experiments across diverse tasks, including image classification, object detection, semantic segmentation, and instance segmentation, demonstrate the broad applicability and state-of-the-art performance of DualOpt. Code is available at https://github.com/qklee-lz/OLOR-AAAI-2024.

This research investigates the performance and efficacy of machine learning models in stock prediction, comparing Artificial Neural Networks (ANNs), Quantum Qubit-based Neural Networks (QQBNs), and Quantum Qutrit-based Neural Networks (QQTNs). By outlining methodologies, architectures, and training procedures, the study highlights significant differences in training times and performance metrics across models. While all models demonstrate robust accuracies above 70%, the Quantum Qutrit-based Neural Network consistently outperforms with advantages in risk-adjusted returns, measured by the Sharpe ratio, greater consistency in prediction quality through the Information Coefficient, and enhanced robustness under varying market conditions. The QQTN not only surpasses its classical and qubit-based counterparts in multiple quantitative and qualitative metrics but also achieves comparable performance with significantly reduced training times. These results showcase the promising prospects of Quantum Qutrit-based Neural Networks in practical financial applications, where real-time processing is critical. By achieving superior accuracy, efficiency, and adaptability, the proposed models underscore the transformative potential of quantum-inspired approaches, paving the way for their integration into computationally intensive fields.

Many neural network (NN) verification systems represent the network's input-output relation as a constraint program. Sound and complete, representations involve integer constraints, for simulating the activations. Recent works convexly relax the integer constraints, improving performance, at the cost of soundness. Convex relaxations consider outputs that are unreachable by the original network. We study the worst case divergence between the original network and its convex relaxations; both qualitatively and quantitatively. The relaxations' space forms a lattice, where the top element corresponds to a full relaxation, with every neuron linearized. The bottom element corresponds to the original network. We provide analytical upper and lower bounds for the $\ell_\infty$-distance between the fully relaxed and original outputs. This distance grows exponentially, w.r.t. the network's depth, and linearly w.r.t. the input's radius. The misclassification probability exhibits a step-like behavior, w.r.t. input radius. Our results are supported by experiments on MNIST, Fashion MNIST and random networks.

Physics-informed neural networks (PINNs) provide a powerful framework for learning governing equations of dynamical systems from data. Biologically-informed neural networks (BINNs) are a variant of PINNs that preserve the known differential operator structure (e.g., reaction-diffusion) while learning constitutive terms via trainable neural subnetworks, enforced through soft residual penalties. Existing BINN studies are limited to $1\mathrm{D}{+}t$ reaction-diffusion systems and focus on forward prediction, using the governing partial differential equation as a regulariser rather than an explicit identification target. Here, we extend BINNs to $2\mathrm{D}{+}t$ systems within a PINN framework that combines data preprocessing, BINN-based equation learning, and symbolic regression post-processing for closed-form equation discovery. We demonstrate the framework's real-world applicability by learning the governing equations of lung cancer cell population dynamics from time-lapse microscopy data, recovering $2\mathrm{D}{+}t$ reaction-diffusion models from experimental observations. The proposed framework is readily applicable to other spatio-temporal systems, providing a practical and interpretable tool for fast analytic equation discovery from data.

Temporal Action Detection (TAD) requires precise localization of action boundaries within long, untrimmed video sequences. While current high-performing methods achieve strong accuracy, they are often characterized by excessive parameter counts, substantial computational overhead, and a reliance on specialized operators that hinder deployment across diverse hardware platforms. This paper presents LiquidTAD, a framework that distills the exponential relaxation prior of liquid neural dynamics into a parallel temporal operator, rather than reproducing full Liquid Neural Network (LNN) dynamics. By introducing a Parallel Liquid-inspired Relaxation mechanism, sequential ODE solving is avoided through a fully vectorized, non-recursive formulation built entirely upon standard neural operations, enabling hardware-agnostic deployment with linear complexity with respect to the temporal length. A complementary Hierarchical Decay-Rate Sharing Strategy further adapts this relaxation prior across feature pyramid levels, stabilizing optimization and implicitly compensating for temporal compression in deeper layers. Experimental evaluations on THUMOS-14 and ActivityNet-1.3 demonstrate that LiquidTAD achieves accuracy competitive with strong baselines while substantially lowering the model footprint. Specifically, on THUMOS-14, LiquidTAD achieves 69.46% average mAP with only 10.82M parameters and 27.17G FLOPs, reducing the parameter count by over 60% compared with ActionFormer.

The ability of humans for lifelong learning is an inspiration for deep learning methods and in particular for continual learning. In this work, we apply Hebbian learning, a biologically inspired learning process, to sound classification. We propose a kernel plasticity approach that selectively modulates network kernels during incremental learning, acting on selected kernels to learn new information and on others to retain previous knowledge. Using the ESC-50 dataset, the proposed method achieves 76.3% overall accuracy over five incremental steps, outperforming a baseline without kernel plasticity (68.7%) and demonstrating significantly greater stability across tasks.

Mixture-of-Experts (MoE) models provide a structured approach to combining specialized neural networks and offer greater interpretability than conventional ensembles. While MoEs have been successfully applied to image classification and semantic segmentation, their use in object detection remains limited due to challenges in merging dense and structured predictions. In this work, we investigate model-level mixtures of object detectors and analyze their suitability for improving performance and interpretability in object detection. We propose an MoE architecture that combines YOLO-based detectors trained on semantically disjoint data subsets, with a learned gating network that dynamically weights expert contributions. We study different strategies for fusing detection outputs and for training the gating mechanism, including balancing losses to prevent expert collapse. Experiments on the BDD100K dataset demonstrate that the proposed MoE consistently outperforms standard ensemble approaches and provides insights into expert specialization across domains, highlighting model-level MoEs as a viable alternative to traditional ensembling for object detection. Our code is available at https://github.com/KASTEL-MobilityLab/mixtures-of-experts/.

In large-scale distributed scenarios, increasingly complex tasks demand more intelligent collaboration across networks, requiring the joint extraction of structural representations from data samples. However, conventional task-specific approaches often result in nonstructural embeddings, leading to collapsed variability among data samples within the same class, particularly in classification tasks. To address this issue and fully leverage the intrinsic structure of data for downstream applications, we propose a novel distributed learning framework that ensures both diverse and discriminative representations. For independent and identically distributed (i.i.d.) data, we reformulate and decouple the global optimization function by introducing constraints on representation variance. The update rules are then derived and simplified using a primal-dual approach. For non-i.i.d. data distributions, we tackle the problem by clustering and virtually replicating nodes, allowing model updates within each cluster using block coordinate descent. In both cases, the resulting optimal solutions are theoretically proven to maintain discriminative and diverse properties, with a guaranteed convergence for i.i.d. conditions. Additionally, semantic information from representations is shared among nodes, reducing the need for common neural network architectures. Finally, extensive simulations on MNIST, CIFAR-10 and CIFAR-100 confirm the effectiveness of the proposed algorithms in capturing global structural representations.

This paper presents a virtual boundary integral neural network (VBINN) for exterior acoustic problems in three dimensions. The method introduces a virtual boundary inside the scatterer or vibrating body and represents the associated source density with a neural network. Coupled with the acoustic fundamental solution, this representation satisfies the Sommerfeld radiation condition by construction and enables direct evaluation of the acoustic pressure and its normal derivative at arbitrary field points. Because the integration surface is separated from the physical boundary, the formulation avoids the singular and near singular kernel evaluations associated with coincident source and collocation points in conventional boundary integral learning methods. To reduce sensitivity to boundary placement, the geometric parameters of the virtual boundary are optimized jointly with the source density during training. Numerical examples for acoustic scattering, multiple body interaction, and underwater acoustic propagation show close agreement with analytical solutions and COMSOL results, and the Burton Miller extension further improves stability near characteristic frequencies. These results demonstrate the potential of VBINN for exterior acoustic analysis in three dimensions.

Privacy-preserving machine learning (PPML) has become increasingly important in applications where sensitive data must remain confidential. Homomorphic Encryption (HE) enables computation directly on encrypted data, allowing neural network inference without revealing raw inputs. While prior works have largely focused on inference over a single encrypted image, batch processing of encrypted inputs lags behind, despite being critical for high-throughput inference scenarios and training-oriented workloads. In this work, we address this gap by developing optimized algorithms for batched HE-friendly neural networks. We also introduced a pipeline architecture designed to maximize resource efficiency for different batch size execution. We implemented these algorithms and evaluated our work using HE-friendly ResNet-20 and ResNet-34 models on encrypted CIFAR-10 and CIFAR-100 datasets, respectively. For ResNet-20, our approach achieves an amortized inference time of 8.86 seconds per image when processing a batch of 512 encrypted images, with a peak memory usage of 98.96 GB. These results represent a 1.78x runtime improvement and a 3.74x reduction in memory usage compared to the state-of-the-art design. For the deeper ResNet-34 model, we achieve an amortized inference time of 28.14 on a batch of 256 encrypted images using 246.78GB of RAM

Quantum error mitigation (QEM) provides a practical route for estimating reliable observables on noisy intermediate-scale quantum (NISQ) devices. Traditional QEM strategies, including zero-noise extrapolation (ZNE) and Clifford data regression (CDR), rely on noise scaling or global regression, and their performance is constrained by the exponential growth of the system degrees of freedom. We construct a graph-enhanced mitigation (GEM) framework, which incorporates physical information into the model representation. In this work, quantum circuits are encoded as attributed graphs. Hardware-level physical information is mapped to node and edge features: local noise parameters such as calibration parameters $T_1$, $T_2$, and readout errors are encoded at nodes, while coupling-related information such as two-qubit gate errors is encoded as edge features. Graph neural networks are used to model how errors propagate along the physical coupling structure and build up into non-local correlations. This allows the model to capture local interactions and part of the resulting non-local correlations across qubits. A dual-branch affine correction is applied to maintain consistency with physical constraints. Experiments on 10-qubit and 16-qubit random circuits executed on superconducting quantum processors show that GEM provides a level of accuracy comparable to CDR at small scales, while yielding lower mean absolute error and improved stability in zero-shot transfer to larger systems. Results of the traditional QEM strategy indicate that global regression methods remain effective in low-dimensional settings but become less reliable as system degrees of freedom grow. In contrast, GEM makes use of local physical structures to show better scalability and generalization, while preserving the overall error propagation patterns. This work provides a practical scalable approach to QEM for NISQ devices.

Classical representation systems such as Fourier series, wavelets, and fixed dictionaries provide analytically tractable basis expansions, but they are not intrinsically adapted to the empirical structure of modern high-dimensional data. Neural networks overcome this limitation by learning features from data, yet they do so through layered nonlinear parameterizations that often sacrifice interpretability, explicit control over basis structure, and mathematical transparency. In this manuscript we develop a non-neural alternative that learns basis functions directly from data through variational optimization. The proposed framework, termed Data Driven Variational Basis Learning (DVBL), treats basis atoms as primary optimization variables and learns them jointly with sample-specific coefficients and, when appropriate, a latent linear evolution operator. This yields a data-adaptive basis expansion that remains explicit, interpretable, and amenable to rigorous analysis. We formulate the model, establish existence of minimizers, prove blockwise descent properties for an alternating minimization algorithm, give conditions for coefficient recovery and basis identifiability, and show how manifold and dynamical regularization can be integrated without invoking neural architectures. We also discuss the conceptual novelty of the framework relative to classical dictionary learning, spectral methods, Koopman operator methods, and deep representation learning.

Human activity recognition (HAR) refers to the process of identifying human actions and activities using data collected from sensors. Neural networks, such as convolutional neural networks (CNNs), long short-term memory (LSTM) networks, convolutional LSTM, and their hybrid combinations, have demonstrated exceptional performance in various research domains. Developing a multilevel individual or hybrid model for HAR involves strategically integrating multiple networks to capitalize on their complementary strengths. The structural arrangement of these components is a critical factor influencing the overall performance. This study explores a novel framework of a two-level network architecture with dual-stage feature fusion: late fusion, which combines the outputs from the first network level, and intermediate fusion, which integrates the features from both the first and second levels. We evaluated $15$ different network architectures of CNNs, LSTMs, and convolutional LSTMs, incorporating late fusion with and without intermediate fusion, to identify the optimal configuration. Experimental evaluation on two public benchmark datasets demonstrates that architectures incorporating both late and intermediate fusion achieve higher accuracy than those relying on late fusion alone. Moreover, the optimal configuration outperforms baseline models, thereby validating its effectiveness for HAR.

Spiking neural networks (SNNs) are rapidly gaining momentum as an alternative to conventional artificial neural networks in resource constrained edge systems. In this work, we continue a recent research line on recurrent SNNs where axonal delays are learned at runtime along with the other network parameters. The first proposed approach, dubbed DelRec, demonstrated the benefit of recurrent delay learning in SNNs. Here, we extend it by advocating the use of convolutional recurrent connections in conjunction with the DelRec delay learning mechanism. According to our tests on an audio classification task, this leads to a streamlined architecture with smaller memory footprint (around 99% savings in terms of number of recurrent parameters) and a much faster (52x) inference time, while retaining DelRec's accuracy. Our code is available at: https://github.com/luciozebendo/delrec_snn/tree/conv_delays

Spatiotemporal modeling has evolved beyond simple time series analysis to become fundamental in structural time series analysis. While current research extensively employs graph neural networks (GNNs) for spatial feature extraction with notable success, these networks are limited to capturing only pairwise relationships, despite real-world networks containing richer topological relationships. Additionally, GNN-based models face computational challenges that scale with graph complexity, limiting their applicability to large networks. To address these limitations, we present Modern Structure-Aware Simplicial SpatioTemporal neural network (ModernSASST), the first approach to leverage simplicial complex structures for spatiotemporal modeling. Our method employs spatiotemporal random walks on high-dimensional simplicial complexes and integrates parallelizable Temporal Convolutional Networks to capture high-order topological structures while maintaining computational efficiency. Our source code is publicly available on GitHub\footnote{Code is available at: https://github.com/ComplexNetTSP/ST_RUM.

AI-driven methods have demonstrated considerable success in tackling the central challenge of accurately solving the Schrödinger equation for complex many-body systems. Among neural network quantum state (NNQS) approaches, the NNQS-SCI (Selected Configuration Interaction) method stands out as a state-of-the-art technique, recognized for its high accuracy and scalability. However, its application to larger systems is severely constrained by a hybrid CPU-GPU architecture. Specifically, centralized CPU-based global de-duplication creates a severe scalability barrier due to communication bottlenecks, while host-resident coupled-configuration generation induces prohibitive computational overheads. We introduce QiankunNet-cuSCI, a fully GPU-accelerated SCI framework designed to overcome these bottlenecks. It first integrates a distributed, load-balanced global de-duplication algorithm to minimize redundancy and communication overhead at scale. To address compute limitations, it employs specialized, fine-grained CUDA kernels for exact coupled configuration generation. Finally, to break the single-GPU memory barrier exposed by this full acceleration, it incorporates a GPU memory-centric runtime featuring GPU-side pooling, streaming mini-batches, and overlapped offloading. This design enables much larger configuration spaces and shifts the bottleneck from host-side limitations back to on-device inference. Our evaluation demonstrates that our work fundamentally expands the scale of solvable problems. On an NVIDIA A100 cluster with 64 GPUs, our work achieves up to 2.32X end-to-end speedup over the highly-optimized NNQS-SCI baseline while preserving the same chemical accuracy. Furthermore, it demonstrates excellent distributed performance, maintaining over 90% parallel efficiency in strong scaling tests.

Always-on converter health monitoring demands sub-mW edge inference, a regime inaccessible to GPU-based physics-informed neural networks. This work separates spiking temporal processing from physics enforcement: a three-layer leaky integrate-and-fire SNN estimates passive component parameters while a differentiable ODE solver provides physics-consistent training by decoupling the ODE physics loss from the unrolled spiking loop. On an EMI-corrupted synchronous buck converter benchmark, the SNN reduces lumped resistance error from $25.8\%$ to $10.2\%$ versus a feedforward baseline, within the $\pm 10\%$ manufacturing tolerance of passive components, at a projected ${\sim}270\times$ energy reduction on neuromorphic hardware. Persistent membrane states further enable degradation tracking and event-driven fault detection via a $+5.5$ percentage-point spike-rate jump at abrupt faults. With $93\%$ spike sparsity, the architecture is suited for always-on deployment on Intel Loihi 2 or BrainChip Akida.

We propose a self-supervised physics-informed neural network (PINN) framework that adaptively balances physics-based and data-driven supervision for scientific machine learning under data scarcity. Unlike prior PINNs that rely on fixed or heuristic weighting of physics residuals and data loss, our approach introduces a learnable blending neuron that dynamically adjusts the relative contribution of each term based on their uncertainties. This mechanism enables stable training and improved generalization without manual tuning. To further enhance efficiency, we integrate a transfer learning strategy that reuses representations from related domains and adapts them to new physical systems with limited data. We validate the framework for the prediction of heat transfer in liquid-metal miniature heat sinks using only 87 CFD datapoints, where the adaptive PINN achieves an error <8%, outperforming shallow neural networks, kernel methods, and physics-only baselines. Our framework provides a general recipe for embedding physics adaptively into neural networks, offering a robust and reproducible approach for data-scarce problems across various scientific domains, including fluid dynamics and material modeling.

Predicting the relative value of any given chess piece in a position remains an open challenge, as a piece's contribution depends on its spatial relationships with every other piece on the board. We demonstrate that incorporating the state of the full chess board via latent position representations derived using a CNN-based autoencoder significantly improves accuracy for MLP-based piece value prediction architectures. Using a dataset of over 12 million piece-value pairs gathered from Grandmaster-level games, with ground-truth labels generated by Stockfish 17, our enhanced piece value predictor significantly outperforms context-independent MLP-based systems, reducing validation mean absolute error by 16% and predicting relative piece value within approximately 0.65 pawns. More generally, our findings suggest that encoding the full problem state as context provides useful inductive bias for predicting the contribution of any individual component.

This paper establishes a nonlinear separation principle based on contraction theory and derives sharp stability conditions for recurrent neural networks (RNNs). First, we introduce a nonlinear separation principle that guarantees global exponential stability for the interconnection of a contracting state-feedback controller and a contracting observer, alongside parametric extensions for robustness and equilibrium tracking. Second, we derive sharp linear matrix inequality (LMI) conditions that guarantee the contractivity of both firing rate and Hopfield neural network architectures. We establish structural relationships among these certificates-demonstrating that continuous-time models with monotone non-decreasing activations maximize the admissible weight space-and extend these stability guarantees to interconnected systems and Graph RNNs. Third, we combine our separation principle and LMI framework to solve the output reference tracking problem for RNN-modeled plants. We provide LMI synthesis methods for feedback controllers and observers, and rigorously design a low-gain integral controller to eliminate steady-state error. Finally, we derive an exact, unconstrained algebraic parameterization of our contraction LMIs to design highly expressive implicit neural networks, achieving competitive accuracy and parameter efficiency on standard image classification benchmarks.

Mobility in urban and interurban areas, mainly by cars, is a day-to-day activity of many people. However, some of its main drawbacks are traffic jams and accidents. Newly made vehicles have pre-installed driving evaluation systems, which can prevent accidents. However, most cars on our roads do not have driver assessment systems. In this paper, we propose an approach for recognising driving styles and enabling drivers to reach safer and more efficient driving. The system consists of two physical sensors connected to a device node with a display and a speaker. An artificial neural network (ANN) is included in the node, which analyses the data from the sensors, and then recognises the driving style. When an abnormal driving pattern is detected, the speaker will play a warning message. The prototype was assembled and tested using an interurban road, in particular on a conventional road with three driving styles. The gathered data were used to train and validate the ANN. Results, in terms of accuracy, indicate that better accuracy is obtained when the velocity, position (latitude and longitude), time, and turning speed for the 3-axis are used, offering an average accuracy of 83%. If the classification is performed considering just two driving styles, normal and aggressive, then the accuracy reaches 92%. When the geo-information and time data are included, the main novelty of this paper, the classification accuracy is improved by 13%.

Higher-order learning is fundamentally rooted in exploiting compositional features. It clearly hinges on enriching the representation by more elaborate interactions of the data which, in turn, tends to increase the model complexity of conventional large-scale deep learning models. In this paper, a kernelized Volterra Neural Network (kVNN) is proposed. The key to the achieved efficiency lies in using a learnable multi-kernel representation, where different interaction orders are modeled by distinct polynomial-kernel components with compact, learnable centers, yielding an order-adaptive parameterization. Features are learned by the composition of layers, each of which consists of parallel branches of different polynomial orders, enabling kVNN filters to directly replace standard convolutional kernels within existing architectures. The theoretical results are substantiated by experiments on two representative tasks: video action recognition and image denoising. The results demonstrate favorable performance-efficiency trade-offs: kVNN consistently yields reduced model (parameters) and computational (GFLOPs) complexity with competitive and often improved performance. These results are maintained even when trained from scratch without large-scale pretraining. In summary, we substantiate that structured kernelized higher-order layers offer a practical path to balancing expressivity and computational cost in modern deep networks.

Graph Neural Networks (GNNs) conventionally rely on standard Laplacian or adjacency matrices for structural message passing. In this work, we substitute the traditional Laplacian with a Doubly Stochastic graph Matrix (DSM), derived from the inverse of the modified Laplacian, to naturally encode continuous multi-hop proximity and strict local centrality. To overcome the intractable $O(n^3)$ complexity of exact matrix inversion, we first utilize a truncated Neumann series to scalably approximate the DSM, which serves as the foundation for our proposed DsmNet. Furthermore, because algebraic truncation inherently causes probability mass leakage, we introduce DsmNet-compensate. This variant features a mathematically rigorous Residual Mass Compensation mechanism that analytically re-injects the truncated tail mass into self-loops, strictly restoring row-stochasticity and structural dominance. Extensive theoretical and empirical analyses demonstrate that our decoupled architectures operate efficiently in $O(K|E|)$ time and effectively mitigate over-smoothing by bounding Dirichlet energy decay, providing robust empirical validation on homophilic benchmarks. Finally, we establish the theoretical boundaries of the DSM on heterophilic topologies and demonstrate its versatility as a continuous structural encoding for Graph Transformers.

We explore the possibility of solving Partial Differential Equations (PDEs) using discrete weak formulations. We propose a programming environment for defining a discrete computational domain, introducing discrete functions defined over a set of points, constructing discrete inner products, and introducing discrete weak formulations employing Kronecker delta test functions. Building on this setup, we propose a discrete neural network representation, training the solution function defined over a discrete set of points and employing discrete finite difference derivatives in the automatic differentiation procedures. As a challenging computational model example, we focus on Stokes equations in two-dimensions, defined over a discrete set of points. We train the solution using the discrete weak residual and the Adamax algorithm with discrete automatic differentiation of the discrete gradients. Despite introducing the python environment, we also provide a rigorous mathematical formulation based on discrete weak formulations, proving the well-posedness and robustness of the loss function. The solution of the discrete weak formulations is based on neural network training employing a robust loss function that is related to the true error. In this way, we have a robust control of the numerical error during the training of the neural networks. Besides the Stokes formulation, we also explain the functionality of the proposed library using the Laplace problem formulation.

Physics-Informed Neural Networks (PINNs) often suffer from slow convergence, training instability, and reduced accuracy on challenging partial differential equations due to the anisotropic and rapidly varying geometry of their loss landscapes. We propose a lightweight curvature-aware optimization framework that augments existing first-order optimizers with an adaptive predictive correction based on secant information. Consecutive gradient differences are used as a cheap proxy for local geometric change, together with a step-normalized secant curvature indicator to control the correction strength. The framework is plug-and-play, computationally efficient, and broadly compatible with existing optimizers, without explicitly forming second-order matrices. Experiments on diverse PDE benchmarks show consistent improvements in convergence speed, training stability, and solution accuracy over standard optimizers and strong baselines, including on the high-dimensional heat equation, Gray--Scott system, Belousov--Zhabotinsky system, and 2D Kuramoto--Sivashinsky system.

Weight pruning is a common technique for compressing large neural networks. We focus on the challenging post-training one-shot setting, where a pre-trained model is compressed without any retraining. Existing one-shot pruning methods typically optimize a single objective, such as a layer-wise reconstruction loss or a second-order Taylor approximation of the training loss. We highlight that neither objective alone is consistently the most effective across architectures and sparsity levels. Motivated by this insight, we propose MOONSHOT, a general and flexible framework that extends any single-objective pruning method into a multi-objective formulation by jointly optimizing both the layer-wise reconstruction error and second-order Taylor approximation of the training loss. MOONSHOT acts as a wrapper around existing pruning algorithms. To enable this integration while maintaining scalability to billion-parameter models, we propose modeling decisions and introduce an efficient procedure for computing the inverse Hessian, preserving the efficiency of state-of-the-art one-shot pruners. When combined with state-of-the-art pruning methods on Llama-3.2 and Llama-2 models, MOONSHOT reduces C4 perplexity by up to 32.6% at 2:4 sparsity and improves zero-shot mean accuracy across seven classification benchmarks by up to 4.9 points. On Vision Transformers, it improves accuracy on ImageNet-1k by over 5 points at 70% sparsity, and on ResNet-50, it yields a 4-point gain at 90% sparsity.

The use of synthetic data in machine learning applications and research offers many benefits, including performance improvements through data augmentation and privacy preservation of original samples. This work proposes an efficient synthetic data generation method based on a fully connected neural network that transforms a high-dimensional random Gaussian distribution to approximate a target real-world dataset. The proposed solution combines data preprocessing designed for tabular data with distribution modeling and PCA dimensionality reduction to further enhance data privacy. The work also defines two dedicated randomized loss functions based on Wasserstein distance combined with feature Covariance and a randomized pairwise error reduction loss function. The experiments conducted on 25 diverse tabular real-world datasets confirm that the proposed solution obtains similarity and privacy scores relative to the state-of-the-art generative methods and achieves reference MMD scores orders of magnitude faster than modern deep learning solutions. The experiments involved analyzing distributional similarity, privacy protection, and the utility of synthetic data in classification tasks.

Fine-tuning is the dominant paradigm for adapting large machine learning models, yet current deployment pipelines provide no way to verify how a released model was updated. In particular, a model provider or auditor cannot check whether a fine-tuned model adheres to a claimed update procedure without access to its parameters. We introduce \emph{fine-tuning integrity} (FTI), a cryptographic objective for verifying that a deployed model differs from a trusted base model only within a declared class of admissible updates. We construct \emph{succinct model difference proofs} (SMDPs), zero-knowledge protocols that certify structured parameter drift without revealing model weights. Our framework supports three fundamental update classes: norm-bounded, low-rank, and sparse drift, covering common fine-tuning methods such as regularized training, LoRA, and prefix tuning. In all cases, proof size and verification cost depend on the structure of the update rather than the number of parameters. We prove soundness, zero-knowledge, and succinctness for each construction, and establish a matching $Ω(n)$ lower bound showing that structural assumptions are necessary for succinct verification. A prototype evaluation on synthetic benchmarks and GPT-2 fine-tuning demonstrates that proofs remain compact and verification is efficient at realistic scales.