Neural Network

The rapid expansion of spiking neural networks (SNNs) has led to a proliferation of training algorithms that differ widely in biological inspiration, computational structure, and hardware suitability. Despite this progress, the field lacks a unified, fine-grained taxonomy that systematically organizes these approaches and clarifies their conceptual relationships. This survey provides a comprehensive taxonomy of SNN training algorithms, spanning surrogate-gradient backpropagation, local and three-factor learning rules, biologically inspired plasticity mechanisms, ANN-to-SNN conversion pipelines, and non-standard optimization strategies. We analyze each class in terms of its computational principles, learning signals, and locality properties. To support reproducible research, we release NeuroTrain, an open-source snnTorch-based framework that implements a representative set of these algorithms within a unified, modular, and extendable framework, enabling consistent benchmarking across datasets, architectures, and training regimes. By consolidating fragmented literature and providing a reusable benchmarking framework, this survey identifies common patterns, highlights open challenges, and outlines promising directions for future work on scalable, efficient SNN training.

The success of deep learning in high-dimensional settings is often attributed to the presence of low-dimensional structure in real-world data. While standard theoretical models typically assume that this structure lies in the target function, projecting unstructured inputs onto a low-dimensional subspace, data such as images, text or genomic sequences exhibit strong spatial correlations within the input space itself. In this paper, we propose a tractable model to study how these correlations affect the sample complexity of learning with gradient descent on shallow neural networks. Specifically, we consider targets that depend on a small number of latent Boolean variables, and input features grouped into clusters and correlated with the latent variables. Under an identifiability assumption, we show that for a layerwise gradient-descent variant, the sample complexity scales with the number of hidden variables and, when the signal-to-noise ratio is sufficiently high, is independent of the input dimension, up to logarithmic terms. We empirically test our theoretical findings on both synthetic and real data.

Generating adversarial examples at scale is a core primitive for robustness evaluation, adversarial training, and red-teaming, yet even "fast" attacks such as FGSM remain throughput-limited by the cost of a backward pass. We introduce a family of attacks that eliminates the backward pass by predicting the input gradient from forward-pass hidden states via a lightweight linear regression. The approach is motivated by a kernel view of neural networks and is exact in the Neural Tangent Kernel regime, while remaining effective for practical finite-width models. Empirically, our methods recover much of FGSM's attack performance while using only a small fraction of the time, corresponding to a $532\%$ increase in throughput. These results suggest gradient prediction as a simple and general route to significantly faster adversarial generation under realistic wall-clock constraints.

Forecasting within signal processing pipelines is crucial for mitigating delays, particularly in predicting the dynamic movements of objects such as NBA players. This task poses significant challenges due to the inherently interactive and unpredictable nature of sports, where abrupt changes in velocity and direction are prevalent. Traditional approaches, including (S)ARIMA(X), Kalman filters (KF), and Particle filters (PF), often struggle to model the non-linear dynamics present in such scenarios. Machine learning (ML) methods, such as long short-term memory (LSTM) networks, graph neural networks (GNNs), and Transformers, offer greater flexibility and accuracy but frequently fail to explicitly capture the interplay between temporal dependencies and contextual interactions, which are critical in chaotic sports environments. In this paper, we evaluate these models and assess their strengths and weaknesses. Experimental results reveal key performance trade-offs across input history length, generalizability, and the ability to incorporate contextual information. ML-based methods demonstrated substantial improvements over linear models across forecast horizons of up to 2s. Among the tested architectures, our hybrid LSTM augmented with contextual information achieved the lowest final displacement error (FDE) of 1.51m, outperforming temporal convolutional neural network (TCNN), graph attention network (GAT), and Transformers, while also requiring less data and training time compared to GAT and Transformers. Our findings indicate that no single architecture excels across all metrics, emphasizing the need for task-specific considerations in trajectory prediction for fast-paced, dynamic environments such as NBA gameplay.

Spiking Neural Networks (SNNs) have emerged with promising energy-efficient property, yet a substantial performance gap persists compared to Artificial Neural Networks (ANNs). This gap stems from at least two key limitations: first, conventional spiking neurons offer limited information representation capacity, underutilizing the rich dynamics of membrane potentials; second, fixed surrogate gradient (SG) functions across time steps leads to imprecise gradient propagation, impeding effective direct training. To address these two challenges, we propose a new direct training algorithm with three core innovations: first, a circulate-firing spiking neuron model that enhances information representation capacity by leveraging membrane potentials more effectively; second, a time-step-wise learnable surrogate gradient function, enabling accurate gradient estimation during backpropagation; third, a positive-negative balanced loss function to achieve equilibrium between positive and negative membrane potentials and further boost SNN performance. Extensive experiments demonstrate that our methods achieve competitive performance across multiple datasets. Our methods can generalize seamlessly to advanced architectures of Transformer, consistently outperforming existing methods. Our work highlights the effectiveness of further harnessing intrinsic membrane dynamics of SNNs for performance improvement, and thus open a new avenue for advancing high-performance spiking neural architectures.

Overparameterized neural networks often contain many removable neurons, yet what makes a neuron redundant remains poorly understood. Existing pruning criteria commonly rely on local quantities such as weight magnitude, activation strength, or gradient sensitivity, but these measures provide limited insight into the structural role of a neuron in the transformation performed by a layer. Here we show that neuronal redundancy can be characterized by weak participation in the spectral structural distortion induced by layer-wise representation transformations. For each hidden layer of a trained network, we record pre-activation and post-activation hidden states, model neurons as graph nodes, and construct input-side and output-side graphs that describe neuron-level relational structure before and after the layer transformation. We then define a spectral structural importance score that measures the contribution of each neuron to the dominant graph-spectral distortion between these two relational structures. Low-participation neurons are treated as structurally redundant and removed through an iterative pruning process in which scores are recomputed after each structural change. No parameter updates are performed during intermediate pruning rounds; after the target parameter reduction is reached, a single recovery fine-tuning stage is applied to the compact model. Direct ablation analysis and experiments across conventional neural networks, encoder-only Transformers, and decoder-only language models show that this graph-spectral criterion identifies removable neurons and Transformer units while preserving task performance after compression. These results suggest that neural redundancy is not merely a consequence of small weights or weak activations, but can be understood through weak participation in the spectral distortion of layer-wise relational structure.

The multi-path Traveling Salesman Problem with stochastic travel costs arises in hybrid vehicle routing applications designed for Smart City and City Logistics, where multiple paths exist between each pair of locations. Travel times along these paths are typically affected by real-time traffic conditions and therefore modeled as stochastic. The objective of the problem is to determine a Hamiltonian tour that minimizes the expected total travel cost under uncertainty. In this work, we adopt a two-stage stochastic programming formulation. In the first stage, a predefined route specifying the sequence of locations to be visited is determined, while taking into consideration a second-stage recourse problem that selects the optimal path from the feasible set of alternative paths for each pair of locations, once real-time traffic conditions are realized. To reduce the computational burden imposed by the large number of scenarios required to capture travel time uncertainty, the innovation of this work is the integration of neural network-based surrogate models to approximate the expected value of the second-stage recourse problem. Different architectures and training strategies for the neural networks are proposed and analyzed, with performance evaluated in terms of computation time, solution quality, and generalization capability. Preliminary findings demonstrate the enhanced scalability and practical applicability of the approach for complex vehicle routing problems under uncertainty.

Implicit solvent models are widely used to decrease the number of solvent degrees of freedom and enable the calculation of solvation energetics without water molecules. However, its accuracy often falls short compared to explicit models. Recent advancements in neural potentials have shown promise in drug discovery, but transferability remains a persistent challenge. Here, we introduce the Protein Hydration Neural Network (PHNN), an implicit solvent model that extends analytical continuum solvation by learning transferable corrections to model parameters instead of applying post hoc adjustments to final energies. The model is explicitly designed to maximize data efficiency by leveraging physical priors embedded in the data. We demonstrate that PHNN improves accuracy relative to traditional analytical methods and maintains predictive accuracy on out-of-domain protein systems.

We propose a simple mechanism by which scaling laws emerge from feature learning in multi-layer networks. We study a high-dimensional hierarchical target that is a globally high-degree function, but that can be represented by a combination of latent compositional features whose weights decrease as a power law. We show that a layer-wise spectral algorithm adapted to this compositional structure achieves improved scaling relative to shallow, non-adaptive methods, and recovers the latent directions sequentially: strong features become detectable at small sample sizes, while weaker features require more data. We prove sharp feature-wise recovery thresholds and show that aggregating these transitions yields an explicit power-law decay of the prediction error. Technically, the analysis relies on random matrix methods and a resolvent-based perturbation argument, which gives matching upper and lower bounds for individual eigenvector recovery beyond what standard gap-based perturbation bounds provide. Numerical experiments confirm the predicted sequential recovery, finite-size smoothing of the thresholds, and separation from non-hierarchical kernel baselines. Together, these results show how smooth scaling laws can emerge from a cascade of sharp feature-learning transitions.

Layer normalization (LN) is a fundamental component in modern deep learning, but its per-sample centering and scaling introduce non-negligible inference overhead. RMSNorm improves efficiency by removing the centering operation, yet this may discard benefits associated with centering. This paper propose a framework to determine whether an LN in an arbitrary DNN can be replaced by RMSNorm without changing the model function. The key idea is to fold LN's centering operation into upstream general linear layers by enforcing zero-mean outputs through the column-centered constraint (CCC) and column-based weight centering (CBWC). We extend the analysis to arbitrary DNNs, define such LNs as foldable LNs, and develop a graph-based detection algorithm. Our analysis shows that many LNs in widely used architectures are foldable, enabling exact inference-time conversion and end-to-end acceleration of 2% to 12% without changing model predictions. Experiments across multiple task families further show that, when exact equivalence is partially broken in practical training settings, our method remains competitive with vanilla LN while improving efficiency.

Activation functions are central to deep networks, influencing non-linearity, feature learning, convergence, and robustness. This paper proposes the Adaptive Arctangent Gated Activation (ArcGate) function, a flexible formulation that generates a broad spectrum of activation shapes via a three-stage non-linear transformation. Unlike conventional fixed-shape activations such as ReLU, GELU, or SiLU, ArcGate uses seven learnable parameters per layer, allowing the neural network to autonomously optimize its non-linearity to the specific requirements of the feature hierarchy and data distribution. We evaluate ArcGate using ResNet-50 and Vision Transformer (ViT-B/16) architectures on three widely used remote sensing benchmarks: PatternNet, UC Merced Land Use, and the 13-band EuroSAT MSI multispectral dataset. Experimental results show that ArcGate consistently outperforms standard baselines, achieving a peak overall accuracy of 99.67% on PatternNet. Most notably, ArcGate exhibits superior structural resilience in noisy environments, maintaining a 26.65% performance lead over ReLU under moderate Gaussian noise (standard deviation 0.1). Analysis of the learned parameters reveals a depth-dependent functional evolution, where the model increases gating strength in deeper layers to enhance signal propagation. These findings suggest that ArcGate is a robust and adaptive general node activation function for high-resolution earth observation tasks.

Building black-box models for dynamical systems from data is a challenging problem in machine learning, especially when asymptotic stability guarantees are required. In this paper, we introduce a novel stability-ensuring and backpropagation-compatible projection scheme based on the Schur decomposition for the state matrix of linear discrete-time state-space layers, as well as an alternative pre-factorized formulation of the methodology. The proposed methods dynamically project the quasi-triangular factor of the state matrix's real Schur decomposition onto its nearest stable peer, ensuring stable dynamics with minimal overparameterization. Experiments on synthetic linear systems demonstrate that the method achieves accuracy and convergence rates comparable to those of state-of-the-art stable-system identification techniques, despite a marginal increase in computational complexity. Furthermore, the lower weight count facilitates convergence during training without sacrificing accuracy in stacked neural-network architectures with static nonlinearities targeting real-world datasets. These results suggest that the Schur-based projection provides a numerically robust framework for identifying complex dynamics on par with the State of the Art while satisfying strict asymptotic-stability requirements.

Full-waveform inversion (FWI) estimates unknown parameters in the wave equation from limited boundary measurements. Recent advances in neural reparameterized FWI (NeurFWI) demonstrate that representing the parameters using a neural network can reduce the reliance on the high-quality initial model and wavefield data, at the cost of slow high-resolution convergence. However, its underlying theoretical mechanism remains unclear. In this study, we establish the neural sensitivity kernel (NSK) and the wave tangent kernel (WTK) to analyze their convergence behavior from both model and data domains. These theoretical frameworks show that the neural tangent kernel (NTK) induced by neural representation adaptively modulates the original sensitivity and wave tangent kernels. This modulation leads to several key outcomes, i.e., the spectral filtering effect, the gradient wavenumber modulation, and the wave frequency bias, connecting the convergence behavior of NeurFWI with the eigen-structures of NSK and WTK. Building on these insights, we propose several enhanced NeurFWI methods with tailored eigen-structures in NSK and WTK to improve inversion performances and efficiency. We numerically validate these theoretical claims and the proposed methods in seismic exploration, and firstly extend their application to medical imaging.

Formal verification of transformers has become increasingly important due to their widespread deployment in safety-critical applications. Compared to classic neural networks, the inferences of transformers involve highly complex computations, such as dot products in self-attention layers, rendering their verification extremely difficult. Existing approaches explored over-approximation methods by constructing convex constraints to bound the output ranges of transformers, which can achieve high efficiency. However, they may sacrifice verification precision, and consequently introduce significant approximation error that leads to frequent occurrences of false alarms. In this paper, we propose a transformer verification approach that can achieve improved precision. At the core of our approach is a novel usage of ReLU, by which we represent a precise but non-linear bound for dot products such that we can further exploit the rich body of literature for convex relaxation of ReLU to derive precise bounds. We extend two classic approaches to the context of transformers, a rule-based one and an optimization-based one, resulting in two new frameworks for efficient and precise verification. We evaluate our approaches on different model architectures and robustness properties derived from two datasets about sentiment analysis, and compare with the state-of-the-art baseline approach. Compared to the baseline, our approach can achieve significant precision improvement for most of the verification tasks with acceptable compromise of efficiency, which demonstrates the effectiveness of our approach.

How do artificial neural networks bind concepts to form complex semantic structures? Here, we propose a simple neural code, whereby the existence and the type of relations between entities are represented by the distance and the direction between their embeddings, respectively. We test this hypothesis in a variety of Large Language Models (LLMs), each input with natural-language descriptions of minimalist tasks from five different domains: arithmetic, visual scenes, family trees, metro maps and social interactions. Results show that the true semantic structures can be linearly recovered with a Polar Probe targeting a subspace of LLMs' layer activations. Second, this code emerges mostly in middle layers and improves with LLM performance. Third, these Polar Probes successfully generalize to new entities and relation types, but degrades with the size of the semantic structure. Finally, the quality of the polar representation correlates with the LLM's ability to answer questions about the semantic structure. Together, these findings suggest that LLMs learn to build complex semantic structures by binding representations with a simple geometrical principle.

Quantum machine learning (QML) aims to accelerate machine learning tasks by exploiting quantum computation. Previous work studied a QML algorithm for selecting sparse subnetworks from large shallow neural networks. Instead of directly solving an optimization problem over a large-scale network, this algorithm constructs a sparse subnetwork by sampling hidden nodes from an optimized probability distribution defined using the ridgelet transform. The quantum algorithm performs this sampling in time $O(D)$ in the data dimension $D$, whereas a naive classical implementation relies on handling exponentially many candidate nodes and hence takes $\exp[O(D)]$ time. In this work, we construct and analyze a quantum-inspired fully classical algorithm for the same sampling task. We show that our algorithm runs in time $O(\operatorname{poly}(D))$, thereby removing the exponential dependence on $D$ from the previous classical approach. Numerical simulations show that the proposed sampler achieves empirical risk comparable to exact sampling from the optimized distribution and substantially lower than sampling from the non-optimized uniform distribution, while also exhibiting exponentially improved runtime scaling compared with the conventional classical implementation. These successful dequantization results show that sparse subnetwork selection via optimized sampling can be achieved classically with polynomial data-dimension scaling on conventional computers without quantum hardware, providing an alternative to the existing quantum algorithm.

Active learning for machine-learning interatomic potentials (MLIPs) must address several challenges to be practical: scaling to large candidate pools, leveraging energy-force supervision, and maintaining robustness when candidate pools are biased relative to the target distribution. In this work, we jointly address these challenges. We first introduce a linearly scaling acquisition framework based on chunked feature-space posterior-variance shortlisting. By avoiding materialisation of the candidate and train set kernels, this approach enables screening of ~200k structures within hours and applies broadly to acquisition strategies that score candidates based on molecular similarity metrics. We then extend the Neural Tangent Kernel (NTK) to a force-aware setting via mixed parameter-coordinate derivatives, yielding a force NTK and a joint energy-force NTK that provide natural similarity metrics for vector-field prediction. We demonstrate the effectiveness of the joint energy-force NTK on the OC20 dataset, where force-aware acquisition is crucial: it achieves the lowest energy and force MAE and RMSE across all metrics and distribution splits. Across T1x, PMechDB, and RGD benchmarks, our force NTK methods remain competitive with established baselines while being significantly more efficient than committee-based approaches. Under a controlled candidate-pool shift case study on T1x, acquisition based on pretrained MLIP embeddings and NTKs remains robust, whereas committee-based methods exhibit higher variance. Overall, these results show that a single pretrained MLIP can enable scalable, force-aware, and distribution-robust active learning for foundation-model fine-tuning.

Hypergraphs provide a natural framework to model higher-order interactions in scientific, social, and biological systems. Hypergraph neural networks (HGNNs) aim to learn from such data, yet it remains unclear which higher-order structures these models can represent. We show that hypergraph expressivity is governed by which small patterns an architecture can detect and count. We formalize this via homomorphism densities, which measure how often a structural motif appears in a hypergraph. Combining classical homomorphism-count completeness with invariant approximation, we show that homomorphism densities generate all continuous hypergraph invariants and organize them into a strict hierarchy indexed by hypertree width. This yields a Width Wall: a fundamental architectural limit beyond which no hidden dimension, training procedure or fixed-depth HGNN can represent invariants requiring wider patterns. Our framework provides a unified characterization of 15 HGNN architectures, precisely identifies information lost by clique expansion, and motivates density-aware models that extend expressivity beyond bounded-width message passing. We experimentally validate this finding on an APPLICATION NODE CLASSIFICATION SUITE of real-world hypergraphs, where the Width Wall predicts when graph-reduction baselines fail and when density features help.

Biological neural circuits contain specialized substructures that support distinct computational functions, yet many bio-inspired neural networks borrow biological motifs without identifying their circuit-level origins. In this study, we investigate whether zebrafish tectal microcircuits can be attributed along two computational axes: energy-efficient information processing and robustness-preserving stabilization. We reconstruct a directed zebrafish-inspired retinotectal microcircuit graph and verify retinotectal signal propagation through dynamic simulation. A leaky integrate-and-fire spiking neural network is then used as a nonlinear perturbation testbed, where predefined subcircuits are selectively ablated and evaluated using the Energy Sensitivity Index and the Robustness Sensitivity Index.The results reveal a functional dissociation between two tectal subcircuits.The \textit{ns_TIN} subcircuit shows a low spike footprint but a measurable influence on prediction error, suggesting a role as a spike-efficient internal information gate.In contrast, the \textit{superficial_TIN} subcircuit produces the highest robustness sensitivity, suggesting a feedback-like role in maintaining system-level stability.We further transfer these attributed functions into ResNet18-based artificial neural networks and evaluate them on CIFAR-10 under inference-budget reduction and Gaussian noise corruption. The \textit{ns_TIN}-inspired module improves performance preservation under reduced computation, whereas the \textit{superficial_TIN}-inspired module improves robustness under input noise. These findings provide a subcircuit-level route for linking biological circuit organization with bio-inspired neural architecture design.

Graph neural networks (GNNs) have emerged as a fundamental tool for learning from graph-structured data, achieving strong performance across a wide range of applications. However, understanding their generalization capabilities remains challenging due to the complex structural dependencies inherent in such data. Existing generalization analyses largely follow the classical machine learning paradigm, focusing primarily on model complexity while overlooking the fundamental role of graph structure. Therefore, in this work, we systematically investigate this role by asking: does the graph structure actually influence generalization, and if so, by how much? To answer the first question and validate our intuition, we theoretically prove that incorporating more edges into the prediction process transforms the input representations to be overly accommodating to the output model, thereby inducing overfitting. To address the second question, we formulate a structural complexity measure based on the number of effective edges and derive a Rademacher complexity-based generalization bound. In doing so, we demonstrate that GNN generalization depends explicitly on structural complexity, alongside traditional parameter-dependent factors. Motivated by these theoretical findings, we propose a structural entropy regularization method. This approach controls structural complexity by regulating effective edges to balance underfitting and overfitting, ultimately improving the generalization performance of GNNs.

This work studies lung tumor growth prediction from sparse and irregular longitudinal computed tomography (CT) observations with measurement variability. A Bayesian physics-informed neural network is developed by combining Gompertz growth dynamics with low-dimensional Bayesian inference in the log-volume domain. The framework employs a two-stage inference strategy combining maximum a posteriori (MAP) estimation and Hamiltonian Monte Carlo (HMC) sampling to estimate posterior predictive distributions and uncertainty intervals. The method was evaluated on longitudinal data from the National Lung Screening Trial (30 patients). Results show that the model captures heterogeneous tumor growth patterns while maintaining reasonable prediction accuracy under limited observations. Compared with deterministic modeling approaches, the proposed approach additionally provides calibrated uncertainty estimates. The inferred posterior parameter correlations were consistent with expected biological growth behavior. The proposed framework achieved a cohort-level log-space RMSE of approximately 0.20 together with well-calibrated 95% credible interval coverage across 30 patients. These findings suggest that Bayesian physics-informed modeling may be useful for uncertainty-aware tumor growth assessment when only limited longitudinal follow-up scans are available.

Biological neural networks (BNNs) have been established as a powerful and adaptive substrate that offer the potential for incredibly energy and data efficient information processing with distinct learning mechanisms. Yet a core challenge to utilizing BNN for neurocomputation is determining the optimal encoding and decoding mechanisms between the traditional silicon computing interface and the living biology. Here, we propose an Embodied Neurocomputation framework as a systems-level approach to this multi-variable optimization encoding/decoding problem. We operationalize this approach through the first large-scale parameter optimization of encoding configurations for a BNN agent performing closed-loop navigation along an odor-style gradient in a simulated grid-world. Despite the relative simplicity of the task, the biological interactions gave rise to a massive multi-combinatorial search space for optimal parameters. By considering how the components of the system are interconnected and parameterized, we evaluated approximately 1,300 parameter combinations, over 4,000 hours of real-time agent-environment interactions, to identify 12 configurations that consistently demonstrated learning across multiple episodes. These configurations achieved significantly higher task performances than optimized silicon-based DQN agents under the same interaction budget. These findings represent an initial step toward robust and scalable goal-oriented learning using BNNs. Our framework establishes a foundation for applying task-driven neurocomputing and supports the development of field-wide benchmarks. In the long term, this work supports the development of hybrid bio-silicon architectures capable of efficient, adaptive and real-time computation, including the potential for robotic control applications.

Physics-Informed Neural Networks (PINNs) and their variational counterparts (VPINNs) are neural networks that incorporate physical laws, making them useful for scientific problems. Existing generalization analyses for PINNs and VPINNs remain limited, often requiring restrictive assumptions such as stability conditions or linear ellipticity. In this paper, we derive generalization bounds for neural networks that involve differentiation with respect to input variables, covering PINNs and VPINNs under a unified framework. We apply Taylor expansion to represent nonlinear differential operators as linear operators on a high-dimensional space, enabling the use of Koopman-based analysis and showing that high-rank networks can generalize well even in settings involving differential operators. We also show that the nonlinearity of the differential operator exponentially enlarges the bound, highlighting its significant impact on generalization.

Aim/Introduction: Distance-encoding biomorphic-informational neural network (DEBI-NN) is a recently proposed architecture in which connection weights are defined by the distances between neurons positioned in a Euclidian space. This approach drastically reduces the number of trainable parameters compared to classical neural networks in which weights are directly trained. The training process for DEBI-NN is based on a genetic algorithm (GA), rather than gradient descent (GD) which remains the prevailing optimization algorithm in deep learning. We aim to design and implement a GD learner for DEBI-NN and assess its performance compared to GA. Materials and Methods: We designed a spatial backpropagation scheme tailored to DEBI-NN and carried out a comparison between GD and GA for classification tasks, using a synthetic non-linear "two-moons" dataset, two clinical medical imaging radiomic datasets and a fetal cardiotocography dataset with a sample sizes ranging from n=85 to n=2126. Each optimizer was tuned through targeted hyperparameter searches adapted to each dataset. Results: Across all experiments, GA consistently produced superior decision boundaries and classification performance (Synthetic: 100% vs 83%; DLBCL: 83% vs 78%; HECKTOR: 80% vs 67%; Fetal: 81% vs 66%), whereas GD exhibited instability and failed to fully capture the non-linear patterns inherent to DEBI-NN's spatial encoding. The entangled gradients resulting from neuron interdependencies limit the effectiveness of classical backpropagation. Conclusion: These findings highlight fundamental limitations of gradient-based methods in architectures with highly interdependent spatial parameters and confirm the suitability of evolutionary strategies for training DEBI-NN.

Recent cryptographic results establish that neural networks can be backdoored such that no efficient algorithm can distinguish them from a clean model. These guarantees, however, have been confined to stylised architectures of limited practical relevance, leaving open whether comparable undetectability extends to modern, end-to-end trained networks. We construct such an attack mechanism for state-of-the-art architectures, closely aligned to the cryptographic notion of undetectability, by identifying backdoor channels as learned latent directions, and show that the question of undetectability reduces to a hypothesis test between two unknown distributions over model parameters, which we conjecture to be intractable in practice. The consequence of this reframing is significant: if exploitable channels within a network's latent space are statistically indistinguishable from naturally learned directions, an attacker need not introduce foreign structure but can instead exploit the geometry the network already possesses. Demonstrating the approach on ResNet and Vision Transformer architectures trained on standard image classification datasets, the attack achieves both consistently high success rates with negligible clean accuracy degradation, and resists a comprehensive suite of post-training defences, none of which neutralise the backdoor without rendering the model unusable. Our results establish that cryptographic backdoors need not be artefacts requiring exotic architectures or artificial constructions, but identifiable as latent properties inherent to the geometry of learned representations.

Graph neural networks (GNNs) deployed as cloud services can be stolen through model-extraction attacks, which train a surrogate from query responses to reproduce the target's behavior, and a growing line of ownership defenses tries to prevent or trace such theft. This paper asks two questions: how hard is it to steal a GNN, and can we stop it? Prior work cannot answer either, because experiments use inconsistent datasets, threat models, and metrics. We introduce GraphIP-Bench, a unified benchmark that evaluates both sides under a single black-box protocol. GraphIP-Bench integrates twelve extraction attacks, twelve defenses spanning watermarking, output perturbation, and query-pattern detection, ten public graphs covering homophilic, heterophilic, and large-scale regimes, three GNN backbones, and three graph-learning tasks. It reports fidelity, task utility, ownership verification, and computational cost on shared splits, queries, and budgets. We further add a joint attack-and-defense track that runs every attack on every defended target and measures watermark verification on the resulting surrogate, exposing how much protection a defense retains after extraction. The empirical picture is clear: stealing a GNN is easy at medium query budgets and most defenses do not change this; several watermarks verify reliably on the protected model but lose most of their verification signal on the extracted surrogate, exposing a gap that single-model evaluations miss; and heterophilic graphs are systematically harder to steal, while a cross-architecture mismatch between target and surrogate reduces but does not prevent extraction. We release GraphIP-Bench with reproducible scripts and configurations, and integrate the attacks and defenses into the PyGIP library. Code: https://github.com/LabRAI/GraphIP-Bench. Library: https://labrai.github.io/PyGIP/index.html.

There is recently a serious issue that Deep Neural Networks (DNNs) training uses more and more unauthorized data. A clean-label generalization attack, one type of data poisoning attacks, has been suggested to address this issue. The Neural Tangent Generalization Attack (NTGA) is considered as the first well-known clean-label generalization attack under the black-box settings, which provided an unprecedented step in data protection approaches. In this paper, we conduct a comprehensive analysis on the state-of-the-art of NTGA; to the best of our knowledge, this is the first thorough analysis regarding NTGA. First, we provide a classification of attacks against DNNs with their explanations and relations to NTGA. Then, this paper presents a taxonomy of black-box attacks and demonstrate that the NTGA is the first clean-label generalization attack under the black-box setting. We further analyze the existing studies of NTGA and give a comprehensive comparisons of their findings by conducting our own experiments to verify these findings. Moreover, our extensive experiments show that NTGA is vulnerable to adversarial training and image transformations, and applying linear separability to NTGA-generated images makes them more susceptible to such vulnerablities. We present the pros and cons of NTGA and suggest ways to improve NTGA robustness based on our analysis. Our further experiments indicate that several recently proposed clean-label generalization attacks outperform NTGA on data protection. Finally, we unveil the necessity of further research with future research insights on NTGA.

Hybrid machine learning combines physical knowledge with data-driven models to enhance interpretability and performance. In this context, Port-Hamiltonian Systems (PHS), which generalize Hamiltonian mechanics to describe open, non-autonomous dynamical systems, have been successfully integrated with neural networks under the name Port-Hamiltonian Neural Networks (PHNNs). While the ability of PHNNs to identify Hamiltonian ordinary differential equation (ODE) systems has already been demonstrated, their application to learning Hamiltonian partial differential equation (PDE) systems remains largely unexplored. This limitation restricts their use in musical acoustics, where instruments are typically modeled as distributed parameter systems governed by PDEs. In this work, we demonstrate how to learn the nonlinear string dynamics from data in a physically-consistent framework through a PHNN extension to PDEs. By constructing structured neural network architectures based on PHS, we can recover both the Hamiltonian governing the string and the dissipation affecting it. This approach outperforms baseline, non-physics-informed methods in terms of both accuracy and interpretability. Numerical experiments using synthetic data demonstrate the ability of the proposed PHNN model to identify and emulate the nonlinear dynamics of the system.

Rich feature learning in tasks that unfold over time often requires the model to pass through bifurcations, constituting qualitative changes in the underlying model dynamics. We develop a local theory of gradient descent near these transitions through the empirical state-space neural tangent kernel (sNTK). Our central finding is that bifurcations both dominate and simplify learning dynamics: near bifurcations, we can reduce sNTK to a rank-one operator corresponding to learning in a classical normal form system, providing an analytically tractable description of the local learning geometry, even for high-dimensional recurrent systems. Concretely, we give a procedure for decomposing sNTK into bifurcation-relevant and residual channels, showing that near commonly codimension-1 bifurcations the relevant channel is a rank-one operator that is highly amplified. This amplification causes the bifurcation channel to dominate the full sNTK. Thus, bifurcations locally warp the learning landscape, funneling gradient descent into a few critical dynamical directions and making the nearby kernel and loss geometry predictable from classical normal forms. We illustrate this in a student-teacher recurrent neural network: the first learned bifurcation coincides with a sharp collapse in sNTK effective rank and the emergence of a dominant parameter direction whose restricted sNTK closely matches the landscape predicted by the scalar pitchfork normal form. Finally, we show that low-rank natural gradient methods resolve the resulting learning instability near bifurcations with very little overhead over SGD.

Training Neural Networks (NNs) without overfitting is difficult; detecting that overfitting is difficult as well. We present a novel Random Matrix Theory method that detects the onset of overfitting in deep learning models without access to train or test data. For each model layer, we randomize each weight matrix element-wise, $\mathbf{W} \to \mathbf{W}^{\mathrm{rand}}$, fit the randomized empirical spectral distribution with a Marchenko-Pastur distribution, and identify large outliers that violate self-averaging. We call these outliers Correlation Traps. During the onset of overfitting, which we call the "anti-grokking" phase in long-horizon grokking, Correlation Traps form and grow in number and scale as test accuracy decreases while train accuracy remains high. Traps may be benign or may harm generalization; we provide an empirical approach to distinguish between them by passing random data through the trained model and evaluating the JS divergence of output logits. Our findings show that anti-grokking is an additional grokking phase with high train accuracy and decreasing test accuracy, structurally distinct from pre-grokking through its Correlation Traps. More broadly, we find that some foundation-scale LLMs exhibit the same Correlation Traps, indicating potentially harmful overfitting.

Variational Quantum Algorithms (VQAs) are a leading approach to exploiting near-term quantum hardware, leveraging parameterized quantum circuits and classical optimization to achieve advantage. Despite their promise, the practical deployment of VQAs is challenged by the difficulty of designing quantum circuit architectures that balance expressivity, trainability, and hardware constraints. Existing evolutionary-based quantum neural architecture search methods address these challenges but suffer from high computational costs due to repeated training of candidate circuits. In this work, we identify a setting in which the Gram matrix of the Quantum Neural Tangent Kernel converges. Building on this observation, we design a zero-shot surrogate model to estimate candidate performance without full training, significantly accelerating the architecture search process. Using this surrogate, we propose MZeQAS, a Monte Carlo Tree Search (MCTS)-based Zero-Shot Quantum Neural Architecture Search framework for VQAs. By integrating proxy-based performance estimation with MCTS exploration, MZeQAS efficiently discovers high-performing architectures. Experimental results demonstrate that MZeQAS outperforms existing approaches in terms of both search efficiency and solution quality, providing a scalable and effective framework for advancing VQA deployment on noisy intermediate-scale quantum devices.

Randomized neural networks (RdNNs) enable efficient, backpropagation-free training by freezing randomly initialized input-to-hidden weights, which permits a closed-form solution for the output layer. However, conventional random initialization is blind to inter-feature dependence, ignoring correlations, asymmetries, and tail dependence in the data, which degrades conditioning and predictive performance. To the best of our knowledge, this limitation remains unaddressed in the RdNN literature. To close this gap, we propose CAWI (Copula-Aligned Weight Initialization), a framework that draws input-to-hidden weights from a data-fitted copula that matches empirical dependence, ensuring the frozen projections respect inter-feature dependence without sacrificing the closed-form solution. CAWI (i) maps each feature to the unit interval using empirical CDFs, (ii) fits a multivariate copula that captures rank-based dependence among features, and (iii) samples each weight column w_j from the fitted copula and applies a fixed inverse marginal transform to set scale. The objective, solver, and "freeze-once" paradigm remain unchanged; only the sampling law for W becomes dependence-aware. For dependence modeling, we consider two copula families: elliptical (Gaussian, t) and Archimedean (Clayton, Frank, Gumbel). This enables CAWI to handle diverse dependence, including tail dependence. We evaluate CAWI across 83 diverse classification benchmarks (binary and multiclass) and two biomedical datasets, BreaKHis and the Schizophrenia dataset, using standard shallow and deep RdNN architectures. CAWI consistently delivers significant improvements in predictive performance over conventional random initialization. Code is available at: https://github.com/mtanveer1/CAWI

This note shows that no self-attention layer post-processed by a rational function can sign-represent the parity function unless the product of the number of heads and the degree of the post-processing function grows linearly with the input length. Combining this lower bound with rational approximation of ReLU networks yields a margin-dependent extension for self-attention layers post-processed by ReLU networks.

Uncertainty quantification has become an important factor in understanding the data representations produced by Graph Neural Networks (GNNs). Despite their predictive capabilities being ever useful across industrial workspaces, the inherent uncertainty induced by the nature of the data is a huge mitigating factor to GNN performance. While aleatoric uncertainty is the result of noisy and incomplete stochastic data such as missing edges or over-smoothing, epistemic uncertainty arises from lack of knowledge about a system or model (e.g., a graph's topology or node feature representation), which can be reduced by gathering more data and information. In this paper, we propose an original new framework in which node-level epistemic uncertainty is modelled in a belief function (finite random set) formalism. The resulting Random-Set Graph Neural Networks have a belief-function head predicting a random set over the list of classes, from which both a precise probability prediction and a measure of epistemic uncertainty can be obtained. Extensive experiments on 9 different graph learning datasets, including real-world autonomous driving benchmarks as such Nuscene and ROAD, demonstrate RS-GNN's superior uncertainty quantification capabilities

Predictive Coding (PC) is an influential account of cortical learning. Much of recent work has focused on comparing PC to Backpropagation (BP) to find whether PC offers any advantages. Small scale experiments show that PC enables learning that is more sample efficient and effective in many contexts, though a thorough theoretical understanding of the phenomena remains elusive. To address this, we quantify the efficiency of learning in BP and PC through a metric called ``target alignment'', which measures how closely the change in the output of the network is aligned to the output prediction error. We then derive and empirically validate analytical expressions for target alignment in Deep Linear Networks. We show that learning in PC is more efficient than BP, which is especially pronounced in deep, narrow and pre-trained networks. We also derive exact conditions for guaranteed optimal target alignment in PC and validate our findings through experiments. We study full training trajectories of linear and non-linear models, and find the predicted benefits of PC persist in practice even when some assumptions are violated. Overall, this work provides a mechanistic understanding of the higher learning efficiency observed for PC over BP in previous works, and can guide how PC should be parametrised to learn most effectively.

Full-vehicle crash simulations are computationally expensive, limiting their use in iterative design exploration. This work investigates learned hybrid surrogate models (MeshTransolver, MeshGeoTransolver, and MeshGeoFLARE) for predicting time-resolved structural deformation fields in an industrial lateral pole-impact benchmark. We evaluate whether neural surrogates can reproduce full-field crash kinematics with sufficient accuracy, spatial regularity, and structural plausibility for engineering interpretation. The proposed architectures combine local mesh message passing, geometry-aware global attention, and sparse contact-aware correction for autoregressive crash rollout. We compare mesh-based graph neural networks, attention-based geometric models, and hybrid architectures under a common training and hyperparameter configuration. The hybrid models capture both short-range structural interactions and long-range deformation patterns, while a sparse contact-aware variant assesses the effect of dynamic proximity interactions during rollout. On a 25-sample full-vehicle test set, the best hybrid model achieves a temporal mean root-mean-square error of 3.20 mm. While geometry-aware attention baselines are quantitatively competitive, qualitative side-view inspection shows they can introduce local spatial noise and deformation irregularities that complicate structural interpretation. In contrast, hybrid mesh-attention models provide the best balance between scalar accuracy, survival-space consistency, and physically interpretable displacement fields. These results suggest that crash surrogate assessment should combine global error metrics with downstream safety-relevant quantities and qualitative field inspection. The proposed methodology enables fast full-field predictions while preserving essential structural information for industrial crash-engineering analysis.

Activation functions are what make deep networks expressive: without them, the model collapses to a linear map. Yet we still evaluate training mostly from the outside, through loss, accuracy, return, or final calibration, while the internal structural evolution of the network remains largely unobserved. In this paper, we argue that the Overfitting--Underfitting Indicator (OUI) should be understood as a first practical observable of that internal structure. Across our recent results, OUI consistently appears as an early, label-free, activation-based signal that reveals whether a network is entering a poor or promising training regime before convergence. In supervised learning, it anticipates weight decay regimes; in reinforcement learning, it discriminates learning-rate regimes early in PPO actor--critic; and in online control, it can drive layer-wise weight decay adaptation. Read together with recent evidence that activation patterns tend to stabilize earlier than parameters, these results suggest a broader research direction: an activation-centric theory of training dynamics. OUI is becoming an empirical foothold toward this theory.

Activation functions play a central role in neural networks by shaping internal representations. Recently, learning binary activation representations has attracted significant attention due to their advantages in computational and memory efficiency, as well as interpretability. However, training neural networks with Heaviside activations remains challenging, as their non-differentiability obstructs standard gradient-based optimization. In this paper, we propose Heavy Tailed Activation Function (HTAF), a smooth approximation to the Heaviside function that enables stable training with gradient-based optimization. We construct HTAF as a sigmoid hyperbolic tangent composite function and theoretically show that it maintains a large gradient mass around zero inputs while exhibiting slower gradient decay in the tail regions. We show that Spiking Neural Networks, Binary Neural Networks and Deep Heaviside neural Networks can be trained stably using HTAF with gradient-based optimization. Finally, we introduce Implicit Concept Bottleneck Models (ICBMs), an interpretable image model that leverages HTAF to induce discrete feature representations. Extensive experiments across various architectures and image datasets demonstrate that ICBM enables stable discretization while achieving prediction performance comparable to or better than standard models.

A surprising phenomenon in the training of neural networks is the ability of gradient descent to find global minimizers of the training loss despite its non-convexity. Following earlier works, we investigate this behavior for wide shallow networks. Existing results essentially cover the case of ReLU activations and the case of sigmoid activations with scalar output weights. We study a large class of models that includes multi-head attention layers and two-layer sigmoid networks with vector output weights. Building upon [Chizat and Bach, 2018], we prove that all non-global minimizers of the training loss are unstable under gradient descent dynamics. Thus, when the initial distribution of the parameters has full support (which includes the popular Gaussian case), and in the many hidden neurons or attention heads limit, continuous-time gradient descent can only converge to global minimizers. Establishing the instability of non-global minimizers corresponds to the construction of an ``escaping active set'' -- we complete the proof of [Chizat and Bach, 2018] to construct this set for models with bounded nonlinearities and scalar output weights. We also extend this construction to new cases for models with vector output weights. Finally, we show the well-posedness and the stability with respect to discretization of the mean field training dynamic for sub-Gaussian initializations.

Proper weight initialization prior to training has historically been one of the key factors that helped kick off the deep learning revolution. Initialization is even more crucial in "reservoir computing", where the weights of a readout layer are learned linearly while the reservoir weights are fixed and largely determine the richness, stability and memory of the resulting dynamics. In the infinite-width limit it has been shown that meaningful initializations are those sitting at an effective critical point of the randomly initialized model. The phase transition is controlled by the weight variance $g^2$ and separates an ordered phase from a chaotic one where information progressively degrades. Here we derive a simple criterion to estimate the critical $g_c$ for a broad class of recurrent architectures and we show that it closely tracks the gain at which a gated-RNN reservoir achieves peak performance on a chaotic forecasting task. Finally, we argue that our criterion can serve as a design principle for future initialization schemes.

Reachability analysis of neural networks, which seeks to compute or bound the set of outputs attainable over a given input domain, is central to certifying safety and robustness in learning-enabled physical systems. Since exact reachable set computation is generally intractable, existing methods typically rely on tractable overapproximations. Examining the state of the art for smooth, twice-differentiable networks, we observe that existing approaches exploit at most second-order information and do not systematically leverage higher-order information. In this work, we introduce \textsc{HiTaB}, a novel verification framework that exploits second-order smoothness through both the Hessian, $\nabla^2 f$, and its Lipschitz constant, $L_{\nabla^2 f}$. We further develop a unified hierarchy of zeroth-, first-, and second-order bounds, together with precise conditions under which higher-order approximations yield provable improvements. Our main technical contribution is a compositional procedure for efficiently bounding $L_{\nabla^2 f}$ in deep neural networks via layerwise propagation of curvature bounds. We extend the framework to both $\ell_2$- and $\ell_\infty$-constrained input sets and show how it can be integrated into branch-and-bound verification pipelines. To our knowledge, this is the first practical reachability analysis framework for smooth neural networks that systematically exploits Lipschitz continuity of curvature, leading to tighter and more informative safety certificates.

Analog neural networks are gaining attention due to their efficiency in terms of power consumption and processing speed. However, since analog neural networks are implemented as physical circuits, they are highly sensitive to manufacturing process variations, which can cause large deviations from the nominal model. We present a polynomial-based model that resembles the performance of the neuron circuit under process variations. Then, we formally verify the behavior of the circuit-level model using reachability analysis with polynomial zonotopes, thus, avoiding conventional, time-consuming Monte Carlo simulations. We evaluate our proposed verification approach on three different datasets, verifying both fully-connected and convolutional analog neural networks. Our experimental results confirm the effectiveness of our verification approach by reducing the verification time from days to seconds while enclosing 99% of the variation samples.

Neural networks have proved an effective means of learning control policies for autonomous systems, but these learned policies are difficult to understand due to the black-box nature of neural networks. This lack of interpretability makes safety assurance for such autonomous systems challenging. The fields of eXplainable Artificial Intelligence (XAI) and eXplainable Reinforcement Learning (XRL) aim to interpret the decision making processes of neural networks and autonomous agents, respectively. In particular, work on causal explanations aims to provide "why" and "why not" explanations for why a model made a given decision. However, most of the work on explainability to date utilises a distilled version of the original model. While this distilled policy is interpretable, it necessarily degrades in performance significantly when compared to the original model, and is not guaranteed to be an accurate reflection of the decision making processes in the original model and as such cannot be used to guarantee its safety. Recent work on understanding the geometry of ReLU neural networks shows that a ReLU network corresponds to a piecewise linear function divided into regions defined by an n-dimensional convex polytope. Through this lens, a neural network can be understood as dividing the input space into distinct regions which apply a single linear function for each output neuron. We show that this geometric representation can be used to generate causal explanations for the network's behaviour similar to previous work, but which extracts rules directly from the geometry of Neural Networks with the ReLU activation function, and is therefore an accurate reflection of the network's behaviour.

We study the information-theoretic limits of learning a one-hidden-layer teacher network with hierarchical features from noisy queries, in the context of knowledge transfer to a smaller student model. We work in the high-dimensional regime where the teacher width $k$ scales linearly with the input dimension $d$ -- a setting that captures large-but-finite-width networks and has only recently become analytically tractable. Using a heuristic leave-one-out decoupling argument, validated numerically throughout, we derive asymptotically sharp characterizations of the Bayes-optimal generalization error and individual feature overlaps via a system of closed fixed-point equations. These equations reveal that feature learnability is governed by a sequence of sharp phase transitions: as data grows, teacher features become recoverable sequentially, each through a discontinuous jump in overlap. This sequential acquisition underlies a precise notion of \textit{effective width} $k_c$ -- the number of learnable features at a given data budget $n$ -- which unifies two distinct scaling regimes: a feature-learning regime in which the Bayes-optimal generalization error $\varepsilon^{\rm BO}$ scales as $n^{1/(2β)-1}$, and a refinement regime in which it scales as $n^{-1}$, where $β>1/2$ is the exponent of the power-law feature hierarchy. Both laws collapse to the single relation $\varepsilon^{\rm BO}=Θ(k_c d/n)$. We further show empirically that a student trained with \textsc{Adam} near the effective width $k_c$ achieves these optimal scaling laws (up to a small algorithmic gap), and provide an information-theoretic account of the associated scaling in model size.

The counting power of Message Passing Neural Networks (MPNN) has been the subject of many recent papers, showing that they can express logic that involves counting up to a threshold or more generally satisfy a linear arithmetic constraint. In this paper, we study the counting capabilities of MPNN beyond linear arithmetic, primarily utilising local and global mean aggregations. In particular, our goal is to tease out conditions required to express extensions of graded modal logic with polynomial counting constraints. We show that global polynomial counting constraints in node-labelled graphs can be checked using mean MPNN under mild assumptions. Checking local constraints is also possible, if we consider formulas with no nested modalities and additionally either (i) permit sum/max aggregations, or (ii) only restrict to regular graphs. We also show how formulas with nested modalities can be captured by mean MPNN over graphs with tree-like structures and similar assumptions.

Dense Associative Memory (DenseAM) is a promising family of AI architectures that is represented by a neural network performing temporal dynamics on an energy landscape. While hyperparameter transfer methods are well-studied for feed-forward networks, these methods have not been developed for settings in which weights are shared across layers and within the layer, which is common in DenseAMs. Additionally, DenseAMs utilize rapidly peaking activation functions that are rarely used in feed-forward architectures. The confluence of these aspects makes DenseAM a challenging framework for using existing methods for hyperparameter transfer. Our work initiates the development of hyperparameter transfer methods for this class of models. We derive explicit prescriptions for how the hyperparameters tuned on small models can be transferred to models trained at scale. We demonstrate excellent agreement between these theoretical findings and empirical results.

Physics-informed neural networks (PINNs) train a single neural approximation by minimizing multiple physics- and data-derived losses, but the gradients of these losses often interfere and can stall optimization. Existing remedies typically treat this pathology either through scalar loss balancing or full-parameter-space gradient surgery, leaving it unclear which intervention is most appropriate. We show that PINN gradient conflict is not a uniform failure mode with one universal remedy. Instead, we identify distinct PINN gradient-conflict regimes, each associated with a different intervention class. Persistent directional conflict may require separate loss-indexed parameter subspaces, magnitude imbalance often favors scalar reweighting, and low or transient conflict may require no extra mitigation. To select between scalar reweighting and a lightweight architectural intervention, we propose a diagnostic-first framework. It profiles a 1000-step unmodified PINN run and, when intervention is warranted, uses one low-rank adapter per loss to create explicit loss-indexed parameter subspaces attached to a shared PINN trunk, providing each loss with a direct gradient pathway. Across more than 60 PDE configurations, including forward, inverse, multi-physics, parameter-varying, and high-dimensional problems up to 50D, persistent directional conflict dominates standard forward $K=3$ benchmarks and a natural $K=4$ thermoelastic system, where adapters combined with reweighting yield significant improvements. In contrast, $K=3$ inverse problems and natural $K=5$ and $K=6$ multi-physics systems are largely magnitude-dominated and often favor reweighting alone, while full-parameter-space gradient surgery can fail on heterogeneous parameter spaces.

Brain-Computer Interfaces (BCIs) based on P300 event-related potentials offer promising applications in health, education, and assistive technologies. However, challenges related to inter- and intra-subject variability and the explainability of Deep Learning (DL) models limit their practical deployment. In this work, we present the Post-Recurrent Module (PRM), an additional layer designed to improve both performance and transparency, incorporated into a Recurrent Neural Network (RNN) architecture for classifying P300 signals from EEG data. Our approach enables a dual analysis of spatio-temporal signals through both global and local explainability techniques, allowing us not only to identify the most relevant brain regions and critical time intervals involved in classification, but also to interpret model decisions in terms of spatio-temporal EEG patterns consistent with well-stablished neurophysiological descriptions of the P300. Experimental results show a 9% improvement in performance over state of the art, while also revealing the importance of inter- and intra-subject variability, in alignment with established neuroscience literature. By making model decisions transparent and efficient, we present a framework for explainable EEG-based models. This framework is not limited to more efficient P300 detection, but can be generalized to a wide range of EEG-based tasks. Its ability to identify key spatial and temporal features makes it suitable for applications such as motor imagery, steady-state visual evoked potentials, and even cognitive workload assessment.

Mode connectivity has been widely studied, yet the role of the optimizer remains underexplored. We revisit it through optimizer-induced implicit regularization, asking how connectivity behaves when restricted to solutions constrained by a given optimizer. For two-layer ReLU networks, we show that solutions from a single optimizer -- AdamW, Muon, or others in the Lion-$\mathcal{K}$ family -- form a connected set at sufficiently large width, a result not implied by prior work. We then characterize how optimizer-induced regions interact: at large width two different regions can be disjoint or overlap depending on regularization, while in our small-width example AdamW and Muon converge to disconnected zero-loss components separated by a provable loss barrier. Empirically, in GPT-2 pretraining, we observe same-optimizer paths preserve each model's spectrum while cross-optimizer paths traverse a smooth transition. Our results reveal optimizer-dependent structure beyond classical mode connectivity literature.

Physics-informed neural networks (PINNs) are a promising approach for solving partial differential equations (PDEs). Their training, however, is often difficult because multiple loss terms induced by PDE residuals and boundary or initial conditions must be optimized simultaneously. To address this difficulty, existing approaches often construct update directions by explicitly enforcing particular desirable properties, such as scale robustness and simultaneous descent. While effective in many cases, such property-by-property designs can make it unclear which conditions are essential, what geometric principle determines the selected update direction, and how different methods are structurally related. In this work, we formulate update-direction selection for PINN training as a Chebyshev-center problem in the dual cone. The proposed formulation selects a normalized direction that maximizes the minimum distance to the cone facets. The resulting formulation admits an efficient dual problem in a much lower-dimensional space and yields a convergence guarantee in the nonconvex setting. It also recovers the key desirable properties targeted by existing approaches without imposing them separately; rather, they follow from the single geometric criterion underlying the formulation. This makes the selected direction interpretable through a single geometric rule and provides a unified basis for systematically comparing related direction-selection methods. Experiments on several PINN benchmarks further demonstrate strong empirical performance of the proposed method.

With the rapid development of deep generative models, forged facial images are massively exploited for illegal activities. Although existing synthetic face detection methods have achieved significant progress, they suffer from the inherent limitation of overconfidence due to their reliance on the Softmax activation function. Thus, these methods often lead to unreliable predictions when encountering unknown Out-of-Distribution (OOD) images, and cannot ascertain the model's uncertainty in its prediction. Meanwhile, most existing methods require massive high-quality annotated data, which greatly limits their practicability across diverse scenarios. To address these limitations, we propose EMSFD (Evidence-based decision Modeling for Synthetic Face Detection with uncertainty-driven active learning), an approach designed to enhance detection reliability and generalizability. Specifically, EMSFD models class evidence using the Dirichlet distribution and explicitly incorporates model uncertainty into the prediction process. Furthermore, during training, the estimated uncertainty is exploited to prioritize more informative samples from the unlabeled pool for annotation, thereby reducing labeling cost and improving model generalization. Extensive experimental evaluations demonstrate that our method enhances the interpretability of synthetic face detection. Meanwhile, our method yields a 15% increase in accuracy compared to existing state-of-the-art (SOTA) baselines, which demonstrates the superior detection performance and generalizability of our approach. Our code is available at: https://github.com/hzx111621/EMSFD.

Electrocardiogram (ECG) interpretation is essential for diagnosing a wide range of cardiac abnormalities. While deep learning has shown strong potential for automating ECG classification, many existing models rely on large, computationally intensive architectures that hinder practical deployment. In this paper, we present an empirical study of convolutional neural network (CNN) architectures, exploring tradeoffs between diagnostic accuracy and computational efficiency. We benchmark two established baselines: AttiaNet, a compact model composed of sequential temporal and spatial blocks, and DeepResidualCNN, the winning architecture of the 2021 PhysioNet/Computing in Cardiology Challenge. Building on these, we propose three lightweight models: (i) ParallelCNN, which employs dual temporal and spatial branches for parallel pattern extraction; (ii) ParallelCNNew, a variant with symmetric weight initialization for balanced feature learning; and (iii) SimpleNet, a streamlined architecture that jointly processes temporal and spatial dimensions. Our experiments span three publicly available 12-lead ECG datasets from Germany, China, and the United States, covering binary, multiclass, and multilabel classification tasks across diverse patient populations. We further evaluate the impact of integrating low-cost demographic metadata (age and sex) to improve performance with minimal overhead. To ensure fair comparison, we introduce a unified Efficiency Score that integrates model size, inference speed, memory usage, and AUC performance. By balancing diagnostic performance and efficiency, our models offer a scalable and viable foundation for next-generation AI systems in cardiovascular care.

Sentiment analysis has been of long-standing interest in psychotherapy research. Recently, the Transformer deep learning architecture has produced text-based sentiment analysis models that are highly accurate and context-aware. These models have been explored as proxies for emotion measurement instruments in psychotherapy, but not investigated as stand-alone psychometric tools. Using proposed utterance-level and session-level sentiment features derived from a fine-grained sentiment model on a large corpus of psychotherapy sessions (N = 751), we investigate the distribution of session aggregated sentiment scores. Further, we characterize the relationship of these features to individual components and the overall score of the OQ-45 instrument and find that this sentiment feature is most strongly correlated to components related to emotional valence in directionally intuitive ways. Finally, we report that there are statistically significant differences between the sentiment distributions for patients flagged as at risk of deterioration or dropping out of care via either the OQ Rational or Empirical outcome models. These correlations to a fully-validated psychometric instrument demonstrate that these proposed sentiment features are, at least, adjunctive measures of client distress and deterioration.

LLM-guided evolutionary methods such as AlphaEvolve have proven effective in domains like math, systems research, and algorithmic discovery, but their reliance on frontier models makes each run expensive. We argue this is largely an artifact of how existing frameworks allocate search: archives that fail to preserve solution diversity force compensation through stronger mutation models; blind model use spends frontier dollars on local edits a smaller model could handle; and full-set evaluation wastes rollouts on redundant examples. We introduce LEVI, a harness-first evolutionary framework built on the bet that stronger search architectures can substitute for or even outperform larger LLMs in evolutionary search. LEVI improves on three core components of evolutionary search: a solution database that establishes diversity from the beginning, and then maintains it throughout the run; a smarter mutation router that plays into the strengths of large and small LLMs; and a rank-preserving proxy benchmark for rollout-heavy settings. Across systems-research benchmarks LEVI attains the highest score on a budget 3.3-6.7x smaller than the published frontier-model runs of existing frameworks like ShinkaEvolve, GEPA, and AdaEvolve; on one problem, LEVI matches the existing best at a 35x lower cost. On prompt optimization, LEVI matches or exceeds GEPA at less than half of its rollout budget on four different benchmarks. LEVI is available as an open-source framework at https://github.com/ttanv/levi.

Spatio-temporal graph neural networks (STGNNs) are widely used for short-term forecasting in dynamic physical systems such as traffic and weather. However, the prevailing evaluation practice uses real world benchmark data sets in a single domain with a single fixed holdout splits, making it difficult to compare architectures across different dynamical regimes. We introduce ChaosNetBench (CNB), a synthetic benchmark dataset and evaluation framework for studying STGNN performance under controlled multidimensional chaotic dynamics. CNB is built on a lattice of coupled standard maps with independently tunable local chaos ($K$), coupling strength ($\varepsilon$), and system size ($N$), providing known topology and known dynamics across 96 system instances and 9{,}600 trajectories. We introduce chaos indicators, evaluation metrics and a protocol to analyze and compare the capacity of STGNN architectures to deal with different levels of local and global chaos. We illustrate the usage of the framework by analyzing 13 architectures (5 STGNNs and 8 non-graph baselines). The results reveal a regime dependent transition in which non-graph baselines (TCN, N-BEATS, iTransformer) remain competitive when there is low local chaos, while STGNNs (e.g., Graph WaveNet, D2STGNN, STAEformer) are generally more resilient to higher levels of local and global chaos. CNB provides a practical, reusable testbed for systematically comparing and analyzing the capacity of STGNN architectures to handle different levels of local and global chaos.

We present S2P-Net (Spectral-Spatial Polar Network), a compact deep learning architecture that achieves mathematically guaranteed rotation invariance without data augmentation. In this Paper, we also made a comparison to other neural network architectures (CNN`s). Have a look at the results and feel free to contact me for any questions. This is my first paper:) Made by Hackbert

With the rapid growth of mobile robotics and embedded intelligence, there is an increasing demand for efficient on-device data processing on edge platforms. A promising research direction is the use of neuromorphic sensors inspired by human sensory systems, which generate sparse, event-based data encoding changes in the environment. In this work, we present the first end-to-end FPGA implementation of a keyword spotting system that integrates a Neuromorphic Auditory Sensor (NAS) and a graph neural network (GNN) on a single FPGA device, enabling real-time processing of raw audio data. The proposed architecture eliminates conventional signal preprocessing and operates directly on event-based audio streams. Leveraging a compute-near-memory network architecture, the system achieves efficient inference with low latency and low power consumption. Experimental results demonstrate an accuracy of 87.43% after quantization on the Google Speech Commands v2 dataset processed through the neuromorphic sensor, with end-to-end latency below 35 us and average power consumption of 1.12 W. The processed datasets, software models, and hardware modules are available at https://github.com/vision-agh/NAS-GNN-KWS.

Modern object detectors are static, fixed-depth networks optimized for a single operating point, requiring separate models for different deployment scenarios. We present an any-depth detection framework that enables a single network to span a continuous range of accuracy--efficiency trade-offs by controlling depth at inference time without retraining. Each backbone and neck stage is divided into an essential path, which always executes, and a skippable refinement path; this decomposition preserves the full multi-scale feature hierarchy at every depth configuration, unlike conventional early exiting that discards entire stages. To train such a network, jointly optimizing many sub-networks of varying depth introduces conflicting gradient signals. We address this via self-distillation between only the two extremes, with prediction-level and feature-level alignment losses that enforce stage-wise modularity, ensuring the outputs of each stage remain compatible regardless of the paths taken. Instantiated on RT-DETR and YOLOv12, our full-depth configurations match or surpass their respective SOTA baselines with negligible parameter overhead, while the most efficient configurations achieve up to $1.82\times$ speedup at a cost of only 2.0 AP, all from a single set of weights.

Sparse autoencoders (SAEs) have been used widely to decompose and interpret neural network activations, especially those of transformer language models. One key issue with SAEs is their inability to directly model multidimensional features. Instead, SAEs may tile such features by a set of independent directions that must be grouped together after the SAE training phase, impeding discoverability and interpretation of learned feature representations. We begin to address this issue by introducing the Sparse MIXture of Autoencoders (SMIXAE) architecture. Empirically, we provide evidence that SMIXAE models have success both in directly learning previously identified manifold structures, as well as finding novel structures, within the open source Gemma 2 2B and 9B models. Finally, we discuss several limitations and point towards areas for future work.

The training of Binary Neural Networks (BNNs) is fundamentally based on gradient approximation for non-differentiable binarization operations (e.g., sign function). However, prevailing methods including the Straight-Through Estimator (STE) and its improved variants, rely on hand-crafted designs that suffer from gradient mismatch problem and information loss induced by fixed-range gradient clipping. To address this, we propose SURrogate GradiEnt Adaptation (SURGE), a novel learnable gradient compensation framework with theoretical grounding. SURGE mitigates gradient mismatch through auxiliary backpropagation. Specifically, we design a Dual-Path Gradient Compensator (DPGC) that constructs a parallel full-precision auxiliary branch for each binarized layer, decoupling gradient flow via output decomposition during backpropagation. DPGC enables bias-reduced gradient estimation by leveraging the full-precision branch to estimate components beyond STE's first-order approximation. To further enhance training stability, we introduce an Adaptive Gradient Scaler (AGS) based on an optimal scale factor to dynamically balance inter-branch gradient contributions via norm-based scaling. Experiments on image classification, object detection, and language understanding tasks demonstrate that SURGE performs best over state-of-the-art methods.