Neural Network

Comparing internal representations is a central goal in neuroscience and machine learning, but standard linear alignment metrics (Representational Similarity Analysis, Centered Kernel Alignment, and linear regression) are frequently applied to neural activity coordinates rather than on the underlying features. We show this matters when neural systems operate in superposition, encoding more features than they have neurons via linear compression. Closed-form derivations prove that these metrics depend on the Gram matrices of each system's projection, not on the latent features themselves: alignment thus combines what a system represents with how it is encoded. For those interested in what features two systems share, this is a problem: Two networks can have identical feature content yet appear more dissimilar than networks exhibiting partial feature overlap. This apparent misalignment need not reflect lost information as compressed sensing guarantees sparse features remain recoverable from the compressed activity. We confirm this by training supervised TopK sparse autoencoders that realize solvable compressed sensing by construction, finding alignment on recovered latents restored even when raw-activation alignment remains deflated. We extend the result to unsupervised SAEs trained without ground-truth latents, and to pretrained vision and language model SAEs, where SAE-latent alignment exceeds raw-activation alignment, consistent with superposition in real systems.

A key capability of modern neural networks is their capacity to simultaneously learn underlying rules and memorize specific facts or exceptions. Yet, theoretical understanding of this dual capability remains limited. We introduce the Rules-and-Facts (RAF) model, a minimal solvable setting that enables precise characterization of this phenomenon by bridging two classical lines of work in the statistical physics of learning: the teacher-student framework for generalization and Gardner-style capacity analysis for memorization. In the RAF model, a fraction $1 - \varepsilon$ of training labels is generated by a structured teacher rule, while a fraction $\varepsilon$ consists of unstructured facts with random labels. We characterize when the learner can simultaneously recover the underlying rule - allowing generalization to new data - and memorize the unstructured examples. Our results quantify how overparameterization enables the simultaneous realization of these two objectives: sufficient excess capacity supports memorization, while regularization and the choice of kernel or nonlinearity control the allocation of capacity between rule learning and memorization. Experiments on a CIFAR10-based RAF task show that the qualitative trade-off persists for fixed kernels, whereas representations learned by deeper neural networks substantially mitigate it, preserving factual recall while improving generalization. The RAF model provides a theoretical foundation for understanding how modern neural networks can infer structure while storing rare or non-compressible information.

Discrete choice models are fundamental tools in management science, economics, and marketing for understanding and predicting decision-making. Logit-based models are dominant in applied work, largely due to their convenient closed-form expressions for choice probabilities. However, they impose restrictive assumptions on the stochastic utility component, constraining our ability to capture realistic substitution patterns. We propose an amortized inference approach that relies on a neural network emulator to approximate choice probabilities for general error distributions, including those with correlated errors. We develop a specialized neural network architecture designed to respect the invariance properties of discrete choice models. We provide group-theoretic foundations for the architecture, including a proof of universal approximation given a minimal set of invariant features. Once trained, the emulator enables rapid likelihood evaluation and gradient computation. We use Sobolev training, augmenting the likelihood loss with a gradient-matching penalty, so that the emulator learns both choice probabilities and their derivatives. We show that emulator-based maximum likelihood estimators are consistent and asymptotically normal under mild approximation conditions, and we provide sandwich standard errors that remain valid for a psuedo-true parameter even with imperfect likelihood approximation. Simulations show significant gains over the GHK simulator in accuracy and speed.

Spiking neural networks (SNNs) offer a biologically inspired computing paradigm with significant potential for energy-efficient neural processing. Among neural coding schemes of SNNs, Time-To-First-Spike (TTFS) coding, which encodes information through the precise timing of a neuron's first spike, provides exceptional activity sparsity and energy efficiency. However, existing TTFS models lack efficient training methods, suffering from high inference latency and limited performance, limiting their practicality on neuromorphic hardware. In this work, we propose latency coding, an extension of TTFS coding, and present a compatible framework that enables the efficient training of deep latency-coded SNNs by leveraging backpropagation through time (BPTT) algorithm. The framework includes: (1) a latency encoding (LE) module with feature extraction and straight-through estimators to address severe information loss in direct intensity-to-latency mapping; (2) relaxation of the strict single-spike constraint in intermediate layers to improve information propagation and gradient flow; and (3) a temporal adaptive decision (TAD) loss function that dynamically weights supervision signals based on the model's confidence, balancing the trade-off between speed and accuracy. Experimental results demonstrate that our method achieves competitive or superior accuracy compared with existing TTFS-coded SNNs with ultra-low inference latency and high energy efficiency. Latency-coded SNNs also demonstrate improved robustness against input perturbations. These findings highlight latency coding as a practical and hardware-friendly approach for fast and energy-efficient neuromorphic processing.

We study the theoretical behavior of denoising score matching--the learning task associated to diffusion models--when the data distribution is supported on a low-dimensional manifold and the score is parameterized using a random feature neural network. We derive asymptotically exact expressions for the test, train, and score errors in the high-dimensional limit. Our analysis reveals that, for linear manifolds the sample complexity required to learn the score function scales linearly with the intrinsic dimension of the manifold, rather than with the ambient dimension. Perhaps surprisingly, the benefits of low-dimensional structure starts to diminish once we have a non-linear manifold. These results indicate that diffusion models can benefit from structured data; however, the dependence on the specific type of structure is subtle and intricate.

The deployment of deep neural networks (DNNs) in safety-critical edge environments necessitates robustness against hardware-induced bit-flip errors. While empirical studies indicate that reducing numerical precision can improve fault tolerance, the theoretical basis of this phenomenon remains underexplored. In this work, we study resilience as a structural property of neural architectures rather than solely as a property of a dataset-specific trained solution. By deriving the expected squared error (MSE) under independent parameter bit flips across multiple numerical formats and layer primitives, we show that lower precision, higher sparsity, bounded activations, and shallow depth are consistently favored under this corruption model. We then argue that logic and lookup-based neural networks realize the joint limit of these design trends. Through ablation studies on the MLPerf Tiny benchmark suite, we show that the observed empirical trends are consistent with the theoretical predictions, and that LUT-based models remain highly stable in corruption regimes where standard floating-point models fail sharply. Furthermore, we identify a novel even-layer recovery effect unique to logic-based architectures and analyze the structural conditions under which it emerges. Overall, our results suggest that shifting from continuous arithmetic weights to discrete Boolean lookups can provide a favorable accuracy-resilience trade-off for hardware fault tolerance.

Longitudinal neuroimaging is essential for modeling disease progression in Alzheimer's disease (AD), yet irregular sampling and missing visits pose substantial challenges for learning reliable temporal representations. To address this challenge, we propose SDE-HGNN, a stochastic differential equation (SDE)-driven spatio-temporal hypergraph neural network for irregular longitudinal fMRI connectome modeling. The framework first employs an SDE-based reconstruction module to recover continuous latent trajectories from irregular observations. Based on these reconstructed representations, dynamic hypergraphs are constructed to capture higher-order interactions among brain regions over time. To further model temporal evolution, hypergraph convolution parameters evolve through SDE-controlled recurrent dynamics conditioned on inter-visit intervals, enabling disease-stage-adaptive connectivity modeling. We also incorporate a sparsity-based importance learning mechanism to identify salient brain regions and discriminative connectivity patterns. Extensive experiments on the OASIS-3 and ADNI cohorts demonstrate consistent improvements over state-of-the-art graph and hypergraph baselines in AD progression prediction. The source code is available at https://anonymous.4open.science/r/SDE-HGNN-017F.

With the advent of system-in-package (SiP) chiplet-based design and heterogeneous 2.5D/3D integration, thermal-induced warpage has become a critical reliability concern. While conventional numerical approaches can deliver highly accurate results, they often incur prohibitively high computational costs, limiting their scalability for complex chiplet-package systems. In this paper, we present WarPGNN, an efficient and accurate parametric thermal warpage analysis framework powered by Graph Neural Networks (GNNs). By operating directly on graphs constructed from the floorplans, WarPGNN enables fast warpage-aware floorplan exploration and exhibits strong transferability across diverse package configurations. Our method first encodes multi-die floorplans into reduced Transitive Closure Graphs (rTCGs), then a Graph Convolution Network (GCN)-based encoder extracts hierarchical structural features, followed by a U-Net inspired decoder that reconstructs warpage maps from graph feature embeddings. Furthermore, to address the long-tailed pattern of warpage data distribution, we developed a physics-informed loss and revised a message-passing encoder based on Graph Isomorphic Network (GIN) that further enhance learning performance for extreme cases and expressiveness of graph embeddings. Numerical results show that WarPGNN achieves more than 205.91x speedup compared with the 2-D efficient FEM-based method and over 119766.64x acceleration with 3-D FEM method COMSOL, respectively, while maintaining comparable accuracy at only 1.26% full-scale normalized RMSE and 2.21% warpage value error. Compared with recent DeepONet-based model, our method achieved comparable prediction accuracy and inference speedup with 3.4x lower training time. In addition, WarPGNN demonstrates remarkable transferability on unseen datasets with up to 3.69% normalized RMSE and similar runtime.

We present the Variational Phasor Circuit (VPC), a deterministic classical learning architecture on the continuous $S^1$ unit-circle manifold. Inspired by variational quantum circuits, VPC replaces dense weight matrices with trainable phase shifts, local unitary mixing, and structured interference in the ambient complex space, giving a unified method for binary and multi-class classification of spatially distributed signals. We evaluate VPC on real motor-imagery electroencephalography (EEG) from the PhysioNet Motor Movement/Imagery database (10 subjects, Common Spatial Pattern features, subject-wise cross-validation), where it attains a mean decoding accuracy of $0.60$ -- the highest among standard brain--computer-interface baselines (linear discriminant analysis, logistic regression, RBF-SVM, and a multilayer perceptron) -- using an order of magnitude fewer parameters and the lowest cross-subject variance. We also characterize capacity honestly: with phase-only shifts and unitary mixing, VPC realizes a linear decision function in a fixed cosine/sine feature lifting, well matched to the largely separable band-power structure of EEG but unable to represent parity-type functions, a ceiling that depth does not raise. These results position unit-circle phase interference as a parameter-efficient alternative to dense neural computation for signal classification, and motivate VPC both as a standalone classifier and a front-end for hybrid phasor-quantum systems.

Physics-informed neural networks (PINNs) have shown promise in addressing the ill-posed deconvolution problem in computed tomography perfusion (CTP) imaging for acute ischemic stroke assessment. However, existing PINN-based approaches remain deterministic and do not quantify uncertainty associated with violations of physics constraints, limiting reliability assessment. We propose Evidential Perfusion Physics-Informed Neural Networks (EPPINN), a framework that integrates evidential deep learning with physics-informed modeling to enable uncertainty-aware perfusion parameter estimation. EPPINN models arterial input, tissue concentration, and perfusion parameters using coordinate-based networks, and places a Normal--Inverse--Gamma distribution over the physics residual to characterize voxel-wise aleatoric and epistemic uncertainty in physics consistency without requiring Bayesian sampling or ensemble inference. The framework further incorporates physiologically constrained parameterization and stabilization strategies to promote robust per-case optimization. We evaluate EPPINN on digital phantom data, the ISLES 2018 benchmark, and a clinical cohort. On the evaluated datasets, EPPINN achieves lower normalized mean absolute error than classical deconvolution and PINN baselines, particularly under sparse temporal sampling and low signal-to-noise conditions, while providing conservative uncertainty estimates with high empirical coverage. On clinical data, EPPINN attains the highest voxel-level and case-level infarct-core detection sensitivity. These results suggest that evidential physics-informed learning can improve both accuracy and reliability of CTP analysis for time-critical stroke assessment. Source code is available at https://github.com/jhlee0619/EPPINN.

While Physics-Informed Neural Networks (PINNs) offer a mesh-free approach to solving fluid-flow PDEs, standard point-wise residual minimization suffers from convergence pathologies in topologically complex domains like Triply Periodic Minimal Surfaces (TPMS). The locality bias of point-wise constraints fails to propagate global information through tortuous channels, causing unstable gradients and conservation violations. To address this, we propose the Multi-scale Weak-form PINN (MUSA-PINN), which reformulates Navier-Stokes equation constraints as integral conservation laws over hierarchical spherical control volumes. We enforce continuity and momentum conservation via flux-balance residuals on control surfaces. Our method utilizes a three-scale subdomain strategy-comprising large volumes for long-range coupling, skeleton-aware meso-scale volumes aligned with transport pathways, and small volumes for local refinement-alongside a two-stage training schedule prioritizing continuity. Experiments on steady incompressible flow in TPMS geometries show MUSA-PINN outperforms state-of-the-art baselines, reducing relative errors by up to 93% and preserving mass conservation.

Physics-Informed Neural Networks (PINNs) incorporate physics into neural networks by embedding partial differential equations (PDEs) into their loss function. Despite their success in learning the underlying physics, PINN models remain difficult to train and interpret. In this work, a novel modeling approach is proposed, which relies on the use of Domain-aware Fourier Features (DaFFs) for the positional encoding of the input space. These features encapsulate all the domain-specific characteristics, such as the geometry and boundary conditions, and unlike Random Fourier Features (RFFs), eliminate the need for explicit boundary condition loss terms and loss balancing schemes, while simplifying the optimization process and reducing the computational cost associated with training. We further develop an LRP-based explainability framework tailored to PINNs, enabling the extraction of relevance attribution scores for the input space. It is demonstrated that PINN-DaFFs achieve orders-of-magnitude lower errors and allow faster convergence compared to vanilla PINNs and RFFs-based PINNs. Furthermore, LRP analysis reveals that the proposed leads to more physically consistent feature attributions, while PINN-RFFs and vanilla PINNs display more scattered and less physics-relevant patterns. These results demonstrate that DaFFs not only enhance PINNs' accuracy and efficiency but also improve interpretability, laying the ground for more robust and informative physics-informed learning.

This work formulates and solves optimization problems to generate input points that yield high errors between a neural network's predicted AC power flow solution and solutions to the AC power flow equations. We demonstrate this capability on an instance of the CANOS-PF graph neural network model, as implemented by the PF$Δ$ benchmark library, operating on a 14-bus test grid. Generated adversarial points yield errors as large as 3.7 per-unit in reactive power and 0.08 per-unit in voltage magnitude. When minimizing the perturbation from a training point necessary to satisfy adversarial constraints, we find that the constraints can be met with as little as an 0.04 per-unit perturbation in voltage magnitude on a single bus. This work motivates the development of rigorous verification and robust training methods for neural network surrogate models of AC power flow.

Partial differential equation (PDE) models frequently contain unknown functional terms that cannot be measured directly, limiting their predictive utility. While data-driven methods for estimating scalar PDE parameters are well established, the recovery of unknown functions remains comparatively underexplored. Here, we show that standard parameter estimation workflows can be extended to infer functional components of PDEs directly from data. Our approach embeds neural networks within the PDE framework, allowing unknown functions to be learned during training with high accuracy. Using nonlocal aggregation-diffusion equations as a case study, we infer interaction kernels and external potentials from steady-state observations. We systematically examine how reconstruction accuracy depends on factors such as the number and diversity of available solutions, sampling density, and measurement noise. The resulting framework retains the advantages of conventional PDE calibration approaches while extending them to functional inference: once trained, the PDE model can be used in the standard way to analyse system behaviour and generate predictions.

We study neural networks with trainable low-degree rational activation functions and show that they are more expressive and parameter-efficient than modern piecewise-linear and smooth activations such as ELU, LeakyReLU, LogSigmoid, PReLU, ReLU, SELU, CELU, Sigmoid, SiLU, Mish, Softplus, Tanh, Softmin, Softmax, and LogSoftmax. For an error target of $\varepsilon>0$, we establish approximation-theoretic separations: Any network built from standard fixed activations can be uniformly approximated on compact domains by a rational-activation network with only $\mathrm{poly}(\log\log(1/\varepsilon))$ overhead in size, while the converse provably requires $Ω(\log(1/\varepsilon))$ parameters in the worst case. This exponential gap persists at the level of full networks and extends to gated activations and transformer-style nonlinearities. In practice, rational activations integrate seamlessly into standard architectures and training pipelines, allowing rationals to match or outperform fixed activations under identical architectures and optimizers.

The characterization of exoplanetary atmospheres has been transformed by the James Webb Space Telescope (JWST), whose infrared sensitivity enables transmission spectroscopy at unprecedented precision. However, stellar heterogeneities (e.g., spots and faculae) remain a dominant source of contamination that can bias atmospheric retrievals if not properly corrected. We present a methodology for reducing stellar contamination and instrument-specific noise from exoplanet transmission spectra using neural networks, in particular the so-called Denoising AutoEncoders (DAEs). Our goals are to enable fast, accurate corrections that improve the reliability of atmospheric parameter retrievals and to promote the use of unsupervised algorithms for efficient data processing. We designed and trained DAE architectures using large synthetic datasets of terrestrial (TRAPPIST-1e analogues) and sub-Neptune (K2-18b analogues) planets. Atmospheric retrieval experiments were then performed on contaminated spectra in order to compare our deep-learning approach against standard correction methods in terms of accuracy and computational cost. Our autoencoders successfully reconstruct uncontaminated spectra, preserving essential molecular features even in low-S/N regimes. In retrieval tests, the denoising autoencoder pre-processing yields atmospheric parameter estimates broadly comparable to those obtained with simultaneous stellar-contamination fitting. Notably, our method maintains a much lower computational cost, approximately one order of magnitude smaller. These results demonstrate that DAEs outperform conventional correction methods in computational efficiency while maintaining high accuracy, paving the way for their integration into future atmospheric characterization pipelines for both rocky and sub-Neptune exoplanets.

Complex-valued neural networks (CVNNs) are rising in popularity for all kinds of applications. To safely use CVNNs in practice, analyzing their robustness against outliers is crucial. One well known technique to understand the behavior of deep neural networks is to investigate their behavior under adversarial attacks, which can be seen as worst case minimal perturbations. We design Phase Attacks, a kind of attack specifically targeting the phase information of complex-valued inputs. Additionally, we derive complex-valued versions of commonly used adversarial attacks. We show that in some scenarios CVNNs are more robust than RVNNs and that both are very susceptible to phase changes with the Phase Attacks decreasing the model performance more, than equally strong regular attacks, which can attack both phase and magnitude.

We introduce Neural Particle Automata (NPA), a Lagrangian generalization of Neural Cellular Automata (NCA) from static lattices to dynamic particle systems. Unlike classical Eulerian NCA where cells are pinned to pixels or voxels, NPA model each cell as a particle with a continuous position and internal state, both updated by a shared, learnable neural rule. This particle-based formulation yields clear individuation of cells, allows heterogeneous dynamics, and concentrates computation only on regions where activity is present. At the same time, particle systems pose challenges: neighborhoods are dynamic, and a naive implementation of local interactions scale quadratically with the number of particles. We address these challenges by replacing grid-based neighborhood perception with differentiable Smoothed Particle Hydrodynamics (SPH) operators backed by memory-efficient, CUDA-accelerated kernels, enabling scalable end-to-end training. Across tasks including morphogenesis, point-cloud classification, and particle-based texture synthesis, we show that NPA retain key NCA behaviors such as robustness and self-regeneration, while enabling new behaviors specific to particle systems. Together, these results position NPA as a compact neural model for learning self-organizing particle dynamics.

Neural networks trained by gradient-based methods often exhibit optimization-induced accuracy plateaus in scientific machine learning tasks. We present Linearized Subspace Refinement (LSR), an architecture-agnostic post-training framework that exploits the local linearized model at a fixed trained state. By solving a reduced direct least-squares problem in a Jacobian-defined low-dimensional space, LSR computes a subspace-optimal linearized correction and yields a refined predictor with markedly improved accuracy. Across function approximation, data-driven operator learning, physics-informed operator fine-tuning, and noisy inverse problems, LSR shows that standard nonlinear training can remain far above this subspace-attainable error level. Similar accuracy plateaus persist even for the convex quadratic problem from local linearization when solved with standard iterative optimizers, identifying numerical ill-conditioning as a primary bottleneck. LSR frequently delivers order-of-magnitude error reductions, while the subspace rank provides an explicit capacity-control mechanism that balances correction strength, numerical stability, and noise sensitivity. Together, LSR exposes conditioning-limited attainable accuracy in trained-state linearized models and provides direct access to it.

Graph neural networks are usually treated as auxiliaries for combinatorial optimization: they imitate algorithms, guide search, or supply scores to classical procedures. We show that this auxiliary role is not intrinsic. A GNN can itself be a heuristic. For the Euclidean Travelling Salesman Problem, we train a non-autoregressive GNN with no labels, rewards, sequential decoding, search, or local improvement. A differentiable Hamiltonian-cycle objective is the only supervision. The trained model produces a complete tour in one forward pass, while dropout and snapshots from a single training trajectory provide solution diversity without engineered moves. The heuristic is therefore learned, not programmed. It is also fast: batched inference remains in the millisecond regime on GPUs. Experiments on TSP100, TSP200, and TSP500 show that the model consistently improves over nearest-neighbor greedy baselines. These results identify unsupervised GNNs as a class of fast learned heuristics for combinatorial optimization.

The present study investigates the numerical solution of Black-Scholes partial differential equation (PDE) for option valuation with multiple underlying assets. We develop a physics-informed (PI) machine learning algorithm based on a radial basis function neural network (RBFNN) that concurrently optimizes the network architecture and predicts the target option price. The physics-informed radial basis function neural network (PIRBFNN) combines the strengths of the traditional radial basis function collocation method and the physics-informed neural network machine learning approach to effectively solve PDE problems in the financial context. By employing a PDE residual-based technique to adaptively refine the distribution of hidden neurons during the training process, the PIRBFNN facilitates accurate and efficient handling of multidimensional option pricing models featuring non-smooth payoff conditions. The validity of the proposed method is demonstrated through a set of experiments encompassing a single-asset European put option, a double-asset exchange option, and a four-asset basket call option.

We revisit the analogy between feed-forward deep neural networks (DNNs) and discrete dynamical systems derived from neural integral equations and their corresponding partial differential equation (PDE) forms. A comparative analysis between the numerical/exact solutions of the Burgers' and Eikonal equations, and the same obtained via PINNs is presented. We show that PINN learning provides a different computational pathway compared to standard numerical discretization in approximating essentially the same underlying dynamics of the system. Within this framework, DNNs can be interpreted as discrete dynamical systems whose layer-wise evolution approaches attractors, and multiple parameter configurations may yield comparable solutions, reflecting the degeneracy of the inverse mapping. In contrast to the structured operators associated with finite-difference (FD) procedures, PINNs learn dense parameter representations that are not directly associated with classical discretization stencils. This distributed representation generally involves a larger number of parameters, leading to reduced interpretability and increased computational cost. However, the additional flexibility of such representations may offer advantages in high-dimensional settings where classical grid-based methods become impractical.

We study Consensus-Based Optimization (CBO) for two-layer neural network training. We compare the performance of CBO against Adam on two test cases and demonstrate how a hybrid approach, combining CBO with Adam, provides faster convergence than CBO. Additionally, in the context of multi-task learning, we recast CBO into a formulation that offers less memory overhead. The CBO method allows for a mean-field model formulation, which we couple with the mean-field model of the neural network. To this end, we first reformulate CBO within the optimal transport framework. As the number of particles tends to infinity, we lift the corresponding dynamics to the Wasserstein-over-Wasserstein space and show that the variance decreases monotonically. We confirm numerically that both mean-field models converge.

Neural network subgrid stress models often have a priori performance that is far better than the a posteriori performance, leading to neural network models that look very promising a priori completely failing in a posteriori Large Eddy Simulations (LES). This performance gap can be decreased by combining two different methods, training data augmentation and reducing input complexity to the neural network. Augmenting the training data with two different filters before training the neural networks has no performance degradation a priori as compared to a neural network trained with one filter. A posteriori, neural networks trained with two different filters are far more robust across two different LES codes with different numerical schemes. In addition, by ablating away the higher order terms input into the neural network, the a priori versus a posteriori performance changes become less apparent. When combined, neural networks that use both training data augmentation and a less complex set of inputs have a posteriori performance far more reflective of their a priori evaluation.

In differentially private (DP) tabular data synthesis, the consensus is that statistical models are better than neural network (NN)-based methods. However, we argue that this conclusion is incomplete and overlooks the challenge of densely correlated datasets, where intricate dependencies can overwhelm statistical models. In such complex scenarios, neural networks are more suitable due to their capacity to fit complex distributions by learning directly from samples. Despite this potential, existing NN-based algorithms still suffer from significant limitations. We therefore propose MargNet, incorporating successful algorithmic designs of statistical models into neural networks. MargNet applies an adaptive marginal selection strategy and trains the neural networks to generate data that conforms to the selected marginals. On sparsely correlated datasets, our approach achieves utility close to the best statistical method while offering an average 7$\times$ speedup over it. More importantly, on densely correlated datasets, MargNet establishes a new state-of-the-art, reducing fidelity error by up to 26% compared to the previous best. We release our code on GitHub.\footnote{https://github.com/KaiChen9909/margnet}

Understanding the training dynamics of deep neural networks remains a major open problem, with physics-inspired approaches offering promising insights. Building on this perspective, we develop a thermodynamic framework to describe the stationary distributions of stochastic gradient descent (SGD) with weight decay for scale-invariant neural networks, a setting that both reflects practical architectures with normalization layers and permits theoretical analysis. We establish analogies between training hyperparameters (e.g., learning rate, weight decay) and thermodynamic variables such as temperature, pressure, and volume. Starting with a simplified isotropic noise model, we uncover a close correspondence between SGD dynamics and ideal gas behavior, validated through theory and simulation. Extending to training of neural networks, we show that key predictions of the framework, including the behavior of stationary entropy, align closely with experimental observations. This framework provides a principled foundation for interpreting training dynamics and may guide future work on hyperparameter tuning and the design of learning rate schedulers.

The analysis of speech production based on physical models of the vocal folds and vocal tract is essential for studies on vocal-fold behavior and linguistic research. This paper proposes a speech production analysis method using physics-informed neural networks (PINNs). The networks are trained directly on the governing equations of vocal-fold vibration and vocal-tract acoustics. Vocal-fold collisions introduce nondifferentiability and vanishing gradients, challenging phenomena for PINNs. We demonstrate, however, that introducing a differentiable approximation function enables the analysis of vocal-fold vibrations within the PINN framework. The period of self-excited vocal-fold vibration is generally unknown. We show that by treating the period as a learnable network parameter, a periodic solution can be obtained. Furthermore, by implementing the coupling between glottal flow and vocal-tract acoustics as a hard constraint, glottis-tract interaction is achieved without additional loss terms. We confirmed the method's validity through forward and inverse analyses, demonstrating that the glottal flow rate, vocal-fold vibratory state, and subglottal pressure can be simultaneously estimated from speech signals. Notably, the same network architecture can be applied to both forward and inverse analyses, highlighting the versatility of this approach. The proposed method inherits the advantages of PINNs, including mesh-free computation and the natural incorporation of nonlinearities, and thus holds promise for a wide range of applications.

The choice of activation function plays a critical role in neural networks, yet most architectures still rely on fixed, uniform activation functions across all neurons. We introduce SmartMixed, a novel two-phase training strategy that allows networks to learn optimal per-neuron activation functions while preserving computational efficiency at inference. In the first phase, neurons adaptively select from a pool of candidate activation functions (ReLU, Sigmoid, Tanh, Leaky_ReLU, ELU, SELU) using a differentiable hard mixture mechanism. In the second phase, each neuron's activation function is fixed according to the learned selection, resulting in a computationally efficient network that supports continued training with optimized vectorized operations. We evaluate SmartMixed on the MNIST dataset using feedforward neural networks of different architectures. Our analysis reveals that neurons in different layers exhibit distinct preferences for activation functions, providing insights into the functional diversity within neural architectures. We also demonstrated that SmartMixed effectively trains the network by allowing neurons to select their preferred activation functions, competing against models using a single fixed state-of-the-art activation function.

In this work, we propose a flow-matching Markov chain Monte Carlo (FM-MCMC) algorithm for estimating the orbital parameters of exoplanetary systems, especially for those only one exoplanet is involved. Compared to traditional methods that rely on random sampling within the Bayesian framework, our approach first leverages flow matching posterior estimation (FMPE) to efficiently constrain the prior range of physical parameters, and then employs MCMC to accurately infer the posterior distribution. For example, in the orbital parameter inference of beta Pictoris b, our model achieved a substantial speed-up while maintaining comparable accuracy-running 77.8 times faster than Parallel Tempered MCMC (PTMCMC) and 365.4 times faster than nested sampling. Moreover, our FM-MCMC method also attained the highest average log-likelihood among all approaches, demonstrating its superior sampling efficiency and accuracy. This highlights the scalability and efficiency of our approach, making it well-suited for processing the massive datasets expected from future exoplanet surveys. Beyond astrophysics, our methodology establishes a versatile paradigm for synergizing deep generative models with traditional sampling, which can be adopted to tackle complex inference problems in other fields, such as cosmology, biomedical imaging, and particle physics.

Deep learning has become a pivotal technology in fields such as computer vision, scientific computing, and dynamical systems, significantly advancing these disciplines. However, neural Networks persistently face challenges related to theoretical understanding, interpretability, and generalization. To address these issues, researchers are increasingly adopting a differential equations perspective to propose a unified theoretical framework and systematic design methodologies for neural networks. In this paper, we provide an extensive review of deep neural network architectures and dynamic modeling methods inspired by differential equations. We specifically examine deep neural network models and deterministic dynamical network constructs based on ordinary differential equations (ODEs), as well as regularization techniques and stochastic dynamical network models informed by stochastic differential equations (SDEs). We present numerical comparisons of these models to illustrate their characteristics and performance. Finally, we explore promising research directions in integrating differential equations with deep learning to offer new insights for developing intelligent computational methods that boast enhanced interpretability and generalization capabilities.

Accurately predicting the performance of active radio frequency (RF) circuits is essential for modern wireless systems but remains challenging due to highly nonlinear behavior and the high computational cost of traditional simulation tools. Existing machine learning (ML) surrogates often require large datasets to generalize across various topologies or are not accurate on held-out circuits. This work presents a lightweight, data-efficient, and topology-aware graph neural network (GNN) framework for predicting key performance metrics of active RF circuit classes, such as low-noise amplifiers (LNAs), mixers, voltage-controlled oscillators (VCOs), power amplifiers (PAs), and voltage amplifiers (VAs). The proposed framework employs RFIC domain-informed feature indexing to enable cross-topology adaptability by cheap encoding of functional device semantics (e.g., differential pair and varactor transistors) and efficient knowledge transfer. The surrogate model represents circuits using device-terminal graph abstractions to preserve fine-grained connectivity and transistor-level symmetry. The final model is generalized to a wide variety of classes by being trained in parallel. Experimental results demonstrate accurate modeling of multimodal and heavy-tailed RF performance distributions, achieving an average mean relative error (MRE) of 2.71% across nineteen topologies, an improvement of 3.3x and 20x faster in training over prior art, and the generalization to held-out topologies is improved by ~26.2x. Furthermore, this work shows ~36x training data efficiency compared to state-of-the-art, demonstrating its effectiveness for scalable and deployment-ready RF design automation.

Pruning is a core technique for compressing neural networks to improve computational efficiency. This process is typically approached in two ways: one-shot pruning, which involves a single pass of training and pruning, and iterative pruning, where pruning is performed over multiple cycles for potentially finer network refinement. Although iterative pruning has historically seen broader adoption, this preference is often assumed rather than rigorously tested. Our study presents one of the first systematic and comprehensive comparisons of these methods, providing rigorous definitions, benchmarking both across structured and unstructured settings, and applying different pruning criteria and modalities. We find that each method has specific advantages: one-shot pruning proves more effective at lower pruning ratios, while iterative pruning performs better at higher ratios. Building on these findings, we advocate for patience-based pruning and introduce a hybrid approach that can outperform traditional methods in certain scenarios, providing valuable insights for practitioners selecting a pruning strategy tailored to their goals and constraints. Source code is available at https://github.com/janumiko/pruning-benchmark.

Traditional neural networks have an impressive classification performance, but what they learn cannot be inspected, verified or extracted. Neural Logic Networks on the other hand have an interpretable structure that enables them to learn a logical mechanism relating the inputs and outputs with AND and OR operations. We generalize these networks with NOT operations and biases that take into account unobserved data and develop a rigorous logical and probabilistic modeling in terms of concept combinations to motivate their use. We also propose a novel factorized IF-THEN rule structure for the model as well as a modified learning algorithm. Our method improves the state-of-the-art in Boolean networks discovery and is able to learn relevant, interpretable rules in tabular classification, notably on examples from the medical and industrial fields where interpretability has tangible value.

Recurrent neural networks are canonical models of biological memory. In these models, memories are represented by distributed patterns of neural activity that are stored in the recurrent connections between neurons, such that they become attractors of the network's dynamics. During memory recall, network dynamics thus converge toward one of these memory patterns when started from a noisy or partial cue. Therefore, memory performance critically hinges on the dynamical stability of the stored patterns. However, previous theoretical approaches only studied dynamical stability under highly restrictive conditions that do not readily apply to biological neural circuits. Here, we develop a theory of the local stability of discrete fixed points in a broad class of networks with graded neural activities and in the presence of noise. Using methods from random matrix theory, we analyze the bulk and outliers of the eigenvalue spectra of the Jacobians that characterize network dynamics around fixed points. We show that either all fixed points are stable or all of them are unstable, depending on whether their number is below a ``critical load for stability'', which is distinct from the classical critical capacity that measures the maximal number of achievable fixed points regardless of their stability. We further analyze the dependence of this critical load for stability on experimentally measurable quantities characterizing the statistics of memory patterns and the activation functions of neurons. Our analysis highlights the computational benefits of sparse-like patterns and threshold-linear activation functions and offers testable predictions for neural circuits supporting memory.

In recent years, graph-based machine learning techniques, such as reinforcement learning and graph neural networks, have garnered significant attention. While some recent studies have started to explore the relationship between the graph structure of neural networks and their predictive performance, they often limit themselves to a narrow range of model networks, particularly lacking mesoscale structures such as communities. Our work advances this area by conducting a more comprehensive investigation, incorporating realistic network structures characterized by heterogeneous degree distributions and community structures, which are typical characteristics of many real networks. These community structures offer a nuanced perspective on network architecture. Our analysis employs model networks such as random and scale-free networks, alongside a comparison with a biological neural network and its subsets for more detailed analysis. We examine the impact of these structural attributes on the performance of image classification tasks. Our findings reveal that structural properties do affect performance to some extent. Specifically, within moderate-depth architectures, networks featuring coherent, densely interconnected communities demonstrate enhanced learning capabilities. Crucially, we find that this advantage is strictly depth-dependent: extending the architecture to eight layers reverses the effect entirely. This comparison with the biological neural network emphasizes the relevance of our findings to real-world structures, suggesting an intriguing connection worth further exploration. This study contributes meaningfully to network science and machine learning, providing insights that could inspire the design of more biologically informed neural networks.

This paper aims to understand the training solution, which is obtained by the back-propagation algorithm, of two-layer neural networks whose hidden layer is composed of the units with smooth activation functions, including the usual sigmoid type most commonly used before the advent of ReLUs. The mechanism contains four main principles: construction of Taylor series expansions, strict partial order of knots, smooth-spline implementation and smooth-continuity restriction. The universal approximation for arbitrary input dimensionality is proved and the explanation of training solutions is given. Through the principles proposed, the mystery of ``black box'' of the solution space is largely revealed. The new proofs employed also enrich approximation theory.

Deep neural networks (DNNs) are widely used for their ability to model complex patterns across domains such as computer vision, speech recognition, and robotics. However, larger models, while often more accurate, are computationally expensive and energy-intensive. Since such a cost is typically needed only for challenging inputs, dynamically selecting lighter models for simpler inputs can improve efficiency with minimal impact on accuracy. We introduce PERTINENCE, a runtime method that selects, from a set of pre-trained models, the lightest model likely to process each input correctly. An ML-based dispatcher performs this selection, and a genetic algorithm explores dispatcher training strategies to identify Pareto-optimal trade-offs between accuracy and computational cost. We evaluate PERTINENCE on CNNs trained on CIFAR-10 and CIFAR-100, ViTs trained on TinyImageNet, and a YOLO-based road occupancy estimation application using real-time intersection camera feeds. Results show that PERTINENCE matches or improves the accuracy of state-of-the-art pre-trained models while reducing operations by up to 36%, with equivalent or lower end-to-end inference time through tunable invocation intervals.

Neuromorphic and quantum computing have recently emerged as promising paradigms for advancing artificial intelligence, each offering complementary strengths. Neuromorphic systems built on spiking neurons excel at processing time series data efficiently through sparse, event-driven computation, consuming energy only upon input events. Quantum computing, on the other hand, operates on state spaces that grow exponentially in dimension with the number of qubits -- as a consequence of tensor-product composition -- with quantum states admitting superposition across basis states and entanglement between subsystems. Hybrid approaches combining these paradigms have begun to show potential, but existing quantum spiking models have important limitations. Notably, they implement classical memory mechanisms on single qubits, requiring repeated measurements to estimate firing probabilities, while relying on conventional backpropagation for training. In this paper, we propose a novel stochastic quantum spiking (SQS) neuron model that addresses these challenges. The SQS neuron uses multi-qubit quantum circuits to realize a spiking unit with internal quantum memory, enabling event-driven probabilistic spike generation in a single shot during inference. Furthermore, we study networks of SQS neurons, dubbed SQS neural networks (SQSNN), and demonstrate that they can be trained via a hardware-friendly local learning rule, eliminating the need for global classical backpropagation. The proposed SQSNN model is shown via experiments with both conventional and neuromorphic datasets to improve over previous quantum spiking neural networks, as well as over classical counterparts, when fixing the overall number of trainable parameters, highlighting its potential for event-driven applications such as neuromorphic integrated sensing and communications (N-ISAC).

We develop, analyze, and experimentally explore residual-based loss functions for machine learning of parameter-to-solution maps in the context of parameter-dependent families of partial differential equations (PDEs). Our primary concern is on rigorous accuracy certification to enhance the prediction capability of the resulting deep neural network reduced models. This is achieved by the use of variationally correct loss functions. Through one specific example of an elliptic PDE, details for establishing the variational correctness of a loss function from an ultraweak Discontinuous Petrov Galerkin (DPG) discretization are worked out. Despite the focus on the example, the proposed concepts apply to a much wider scope of problems, namely problems for which stable DPG formulations are available. The issue of high-contrast diffusion fields and ensuing difficulties with degrading ellipticity are discussed. Both numerical results and theoretical arguments illustrate that for high-contrast diffusion parameters the proposed DPG loss functions deliver much more robust performance than simpler least-squares losses.

Tensorizing a neural network involves reshaping some or all of its dense weight matrices into higher-order tensors and approximating them using low-rank tensor network decompositions. This technique has shown promise as a model compression strategy for large-scale neural networks. However, despite encouraging empirical results, tensorized neural networks (TNNs) remain underutilized in mainstream deep learning. In this position paper, we offer a perspective on both the potential and current limitations of TNNs. We argue that TNNs represent a powerful yet underexplored framework for deep learning--one that deserves greater attention from both engineering and theoretical communities. Beyond compression, we highlight the value of TNNs as a flexible class of architectures with distinctive scaling properties and increased interpretability. A central feature of TNNs is the presence of bond indices, which introduce new latent spaces not found in conventional networks. These internal representations may provide deeper insight into the evolution of features across layers, potentially advancing the goals of mechanistic interpretability. We conclude by outlining several key research directions aimed at overcoming the practical barriers to scaling and adopting TNNs in modern deep learning workflows.

Neuromorphic computing aims to improve the efficiency of artificial neural networks by taking inspiration from biological neurons and leveraging temporal sparsity, spatial sparsity, and compute near/in memory. Although these approaches have shown efficiency gains, training these spiking neural networks (SNN) remains difficult. The original attempts at converting trained conventional analog neural networks (ANN) to SNNs used the rate of binary spikes to represent neuron activations. This required many simulation time steps per inference, which degraded efficiency. Intel's Loihi 2 is a neuromorphic platform that supports graded spikes which can be used to represent changes in neuron activation. In this work, we use Loihi 2's graded spikes to develop a method for converting ANN networks to spiking networks, which exploits temporal and spatial sparsity. We evaluated the performance of this network on Loihi 2 and compared it to NVIDIA's Jetson Xavier edge AI platform. The results show that neuromorphic approaches achieve significant improvements in efficiency and latency (energy-delay product) over existing solutions.

Compositional generalization$\unicode{x2013}$the ability to systematically process novel combinations of known components$\unicode{x2013}$is a hallmark of human intelligence; however, its theoretical foundation in neural networks is not yet well understood. This paper establishes a necessary and sufficient condition for provable compositional generalization, precisely characterizing its boundary. Conceptually, the condition consists of two principles: (i) structural alignment, where a model's computational graph aligns with a task's true compositional hierarchy, and (ii) unambiguous minimized representations, where each component encodes adequate but not redundant information on the training data. The result is fully proved and machine-verified in Lean 4 and holds even in few-shot and one-shot regimes. The necessity direction establishes that provable compositional generalization cannot circumvent these requirements, while the sufficiency direction yields a unified inductive bias that jointly governs architectural design, training data properties, and regularization strategies. Building on this condition, we develop an example algorithmic approach, illustrate it through a controlled minimal example, and further demonstrate the condition on the SCAN jump task. All conclusions are derived mathematically without reliance on empirical validation. Our work provides a theoretical characterization of provable compositional generalization.

In the context of multivariate nonparametric regression with missing covariates, we propose Pattern Embedded Neural Networks (PENNs), which can be applied in conjunction with any existing imputation technique. In addition to a neural network trained on the imputed data, PENNs pass the vectors of observation indicators through a second neural network to provide a compact representation. The outputs are then combined in a third neural network to produce final predictions. Our main theoretical result exploits an assumption that the observation patterns can be partitioned into cells on which the Bayes regression function behaves similarly, and belongs to a compositional Hölder class. It provides a finite-sample excess risk bound that holds for an arbitrary missingness mechanism, and in combination with a complementary minimax lower bound, demonstrates that our PENN estimator attains in typical cases the minimax rate of convergence as if the cells of the partition were known in advance, up to a poly-logarithmic factor in the sample size. Numerical experiments on simulated, semi-synthetic and real data confirm that the PENN estimator consistently improves, often dramatically, on standard neural networks without pattern embedding. Code to reproduce our experiments, as well as a tutorial on how to apply our method, is publicly available.

Aggregating temporal signals from historic interactions is a key step in future link prediction on dynamic graphs. However, incorporating long histories is resource-intensive. Hence, temporal graph neural networks (TGNNs) often rely on historical neighbors sampling heuristics such as uniform sampling or recent neighbors selection. These heuristics are static and fail to adapt to the underlying graph structure. We introduce FLASH, a learnable and graph-adaptive neighborhood selection mechanism that generalizes existing heuristics. FLASH integrates seamlessly into TGNNs and is trained end-to-end using a self-supervised ranking loss. We provide theoretical evidence that commonly used heuristics hinder TGNNs performance, motivating our design. Extensive experiments across multiple benchmarks demonstrate consistent and significant performance improvements for TGNNs equipped with FLASH.

Network pruning is used to reduce inference latency and power consumption in large neural networks. However, most methods focus on empirical results at the expense of understanding the pruning process. We introduce Hyperflux, a novel $L_0$ method which models pruning as a continuously evolving system determined by flux, the gradient response to a weight's removal, and pressure, a global regularization driving weights toward pruning. By exploiting this model, Hyperflux's pruning behavior becomes understandable at both microscopic (weight regrowth/pruning) and macroscopic (sparsity convergence, etc.) levels. We also introduce a novel pressure scheduler that reliably targets desired sparsities. Hyperflux achieves competitive results with ResNet-50, VGG-19 and DeiT-T/S on CIFAR-10, CIFAR-100 and ImageNet datasets.

Traffic Engineering (TE) in large-scale networks like cloud Wide Area Networks (WANs) and Low Earth Orbit (LEO) satellite constellations is a critical challenge. Although learning-based approaches have been proposed to address the scalability of traditional TE algorithms, their practical application is often hindered by a lack of generalization, high training overhead, and a failure to respect link capacities. This paper proposes TELGEN, a novel TE algorithm that learns to solve TE problems efficiently in large-scale network scenarios, while achieving superior generalizability across diverse network conditions. TELGEN is based on the novel idea of transforming the problem of "predicting the optimal TE solution" into "predicting the optimal TE algorithm", which enables TELGEN to learn and efficiently approximate the end-to-end solving process of classical optimal TE algorithms. The learned algorithm is agnostic to the exact underlying network topology or traffic patterns, and is able to very efficiently solve TE problems given arbitrary inputs and generalize well to unseen topologies and demands. We train and evaluate TELGEN with random and real-world topologies, with networks of up to 5000 nodes and 3.6x10^6 links in testing. TELGEN shows less than 3% optimality gap while ensuring feasibility in all testing scenarios, even when the test network has 2-20x more nodes than the largest training network. It also saves up to 84% TE solving time than traditional interior-point method, and reduces up to 79.6% training time per epoch than the state-of-the-art learning-based algorithm.

The application of learning based methods to vehicle routing problems has emerged as a pivotal area of research in combinatorial optimization. These problems are characterized by vast solution spaces and intricate constraints, making traditional approaches such as exact mathematical models or heuristic methods prone to high computational overhead or reliant on the design of complex heuristic operators to achieve optimal or near optimal solutions. Meanwhile, although some recent learning-based methods can produce good performance for VRP with straightforward constraint scenarios, they often fail to effectively handle hard constraints that are common in practice. This study introduces a novel end-to-end framework that combines constraint-oriented hypergraphs with reinforcement learning to address vehicle routing problems. A central innovation of this work is the development of a constraint-oriented dynamic hyperedge reconstruction strategy within an encoder, which significantly enhances hypergraph representation learning. Additionally, the decoder leverages a double-pointer attention mechanism to iteratively generate solutions. The proposed model is trained by incorporating asynchronous parameter updates informed by hypergraph constraints and optimizing a dual loss function comprising constraint loss and policy gradient loss. The experiment results on benchmark datasets demonstrate that the proposed approach not only eliminates the need for sophisticated heuristic operators but also achieves substantial improvements in solution quality.

The architecture of a neural network and the choice of its activation function are both fundamental to its performance. Equally important is ensuring that these two elements are well matched, as their alignment is key to effective representation and learning. In this paper, we introduce the Fourier Multi-Component and Multi-Layer Neural Network (FMMNN), a model that combines sine-type activations with the multi-component and multi-layer structure of MMNNs. In an FMMNN, each component is represented as a trainable linear combination of fixed random sine-type basis functions, while multi-layer composition generates more complex and adaptive high-frequency features. We establish that FMMNNs retain exponential expressive power for function approximation even under a low-rank architectural structure. We also analyze the optimization landscape of FMMNNs and find it to be substantially more favorable than that of standard fully connected neural networks, especially for high-frequency targets. In addition, we propose a scaled random initialization method for the first-layer weights in FMMNNs, which accelerates training and improves final performance when sufficient samples are available. Extensive numerical experiments support our theoretical insights, showing that FMMNNs achieve strong accuracy and favorable convergence behavior on oscillatory function-approximation benchmarks.

The neurons of artificial neural networks were originally invented when much less was known about biological neurons than is known today. Our work explores a modification to the core neuron unit to make it more parallel to a biological neuron. The modification is made with the knowledge that biological dendrites are not simply passive activation funnels, but also compute complex non-linear functions as they transmit activation to the cell body. The paper explores a novel system of perforated'' backpropagation empowering the artificial neurons of deep neural networks to achieve better performance coding for the same features they coded for in the original architecture. After an initial network training phase, additional dendrite'' nodes are added to the network and separately trained with a different objective: to correlate their output with the remaining error of the original neurons. The trained dendrites are then frozen, and the original neurons are further trained, now taking into account the additional error signals provided by the dendrites. The cycle of training the original neurons and then adding and training dendrites can be repeated several times until satisfactory performance is achieved. Our algorithm was successfully added to modern state-of-the-art PyTorch networks across multiple domains, improving upon original accuracies and allowing for significant model compression without a loss in accuracy.

Semantic communications aim to enhance transmission efficiency by jointly optimizing source coding, channel coding, and modulation. While prior research has demonstrated promising performance in simulations, real-world implementations often face significant challenges, including noise variability and nonlinear distortions, leading to performance gaps. This article investigates these challenges in a multiple-input multiple-output (MIMO) and orthogonal frequency-division multiplexing (OFDM)-based semantic communication system, focusing on the practical impacts of power amplifier (PA) nonlinearity and peak-to-average power ratio (PAPR) variations. Our analysis identifies frequency selectivity of the actual channel as a critical factor in performance degradation and demonstrates that targeted mitigation strategies can enable semantic systems to approach theoretical performance. By addressing key limitations in existing designs, we provide actionable insights for advancing semantic communications in practical wireless environments. This work establishes a foundation for bridging the gap between theoretical models and real-world deployment, highlighting essential considerations for system design and optimization.

Advancements in artificial intelligence call for a deeper understanding of the fundamental mechanisms underlying deep learning. In this work, we propose a theoretical framework to analyze learning dynamics through the lens of dynamical systems theory. We redefine the notions of linearity and nonlinearity in neural networks by introducing two fundamental transformation units at the neuron level: order-preserving transformations and non-order-preserving transformations. Different transformation modes lead to distinct collective behaviors in weight vector organization, different modes of information extraction, and the emergence of qualitatively different learning phases. Transitions between these phases may occur during training, accounting for key phenomena such as grokking. To further characterize generalization and structural stability, we introduce the concept of attraction basins in both sample and weight spaces. The distribution of neurons with different transformation modes across layers, along with the structural characteristics of the two types of attraction basins, forms a set of core metrics for analyzing the performance of learning models. Hyperparameters such as depth, width, learning rate, and batch size act as control variables for fine-tuning these metrics. Our framework not only sheds light on the intrinsic advantages of deep learning, but also provides a novel perspective for optimizing network architectures and training strategies.

Recurrent neural networks are a successful neural architecture for many time-dependent problems, including time series analysis, forecasting, and modeling of dynamical systems. In the context of dynamical systems, training with backpropagation through time can lead to challenges arising from exploding or vanishing gradients. In this contribution, we introduce Koopman-informed recurrent neural networks, a computational approach to construct all weights and biases of a recurrent neural network without using gradient-based methods. The approach is based on a combination of random feature networks and Koopman operator theory for dynamical systems. The hidden parameters of a single recurrent block are sampled at random, while the outer weights are constructed using extended dynamic mode decomposition. This approach alleviates some problems with backpropagation commonly related to recurrent networks. The connection to Koopman operator theory also allows us to start using results in this area to analyze recurrent neural networks. In computational experiments on time series, forecasting for chaotic dynamical systems, control problems, and on real-world data, we observe that with comparable forecasting accuracy, the training time of the Koopman-informed recurrent neural networks is significantly improved when compared to models trained with commonly used gradient-based methods.

Enabling robots to autonomously discover high-level spatial concepts (e.g., rooms and walls) from primitive geometric observations (e.g., planar surfaces) within 3D Scene Graphs is essential for robust indoor navigation and mapping. These graphs provide a hierarchical metric-semantic representation in which such concepts are organized. To further enhance graph-SLAM performance, Factorized 3D Scene Graphs incorporate these concepts as optimization factors that constrain relative geometry and enforce global consistency. However, both stages of this process remain largely manual: concepts are typically derived using hand-crafted, concept-specific heuristics, while factors and their covariances are likewise manually designed. This reliance on manual specification limits generalization across diverse environments and scalability to new concept classes. This paper presents a novel learning-based method that infers spatial concepts online from observed vertical planes and introduces them as optimizable factors within a SLAM backend, eliminating the need to handcraft concept generation, factor design, and covariance specification. We evaluate our approach in simulated environments with complex layouts, improving room detection by 20.7% and trajectory estimation by 19.2%. Validated on real construction sites, room detection improves by 5.3% and map matching accuracy by 3.8%.

We consider nonlinear networks as perturbations of linear ones. Based on this approach, we present novel generalization bounds that become non-vacuous for networks that are close to being linear. The main advantage over the previous works which propose non-vacuous generalization bounds is that our bounds are a-priori: performing the actual training is not required for evaluating the bounds. To the best of our knowledge, they are the first non-vacuous generalization bounds for neural nets possessing this property.

Thanks to their extensive capacity, over-parameterized neural networks exhibit superior predictive capabilities and generalization. However, having a large parameter space is considered one of the main suspects of the neural networks' vulnerability to adversarial example -- input samples crafted ad-hoc to induce a desired misclassification. Relevant literature has claimed contradictory remarks in support of and against the robustness of over-parameterized networks. These contradictory findings might be due to the failure of the attack employed to evaluate the networks' robustness. Previous research has demonstrated that depending on the considered model, the algorithm employed to generate adversarial examples may not function properly, leading to overestimating the model's robustness. In this work, we empirically study the robustness of over-parameterized networks against adversarial examples. However, unlike the previous works, we also evaluate the considered attack's reliability to support the results' veracity. Our results show that over-parameterized networks are robust against adversarial attacks as opposed to their under-parameterized counterparts.

We propose a computational tropical geometry framework for the symbolic analysis of neural networks with tropical activations. The number of linear regions of a neural network has been actively studied as a measure of the expressivity of a given architecture. To study these, we work in the setting of tropical geometry---a combinatorial and polyhedral variant of algebraic geometry---where there are known connections between tropical rational maps and feedforward neural networks. We expand this connection by developing concrete computational tools for studying the linear regions of neural networks. We present an algorithm, together with a proof of correctness, which computes the linear regions of a neural network as explicit unions of polyhedra. We further relate the computation of the number of linear regions of a tropical expression to the number of monomials that appear in it, and show how tropical expressions can often be pruned to remove redundant monomials. We introduce the Hoffman constant of a neural network's tropical expression, a geometric quantity that controls the distance from any point in the input space to the farthest linear region. We provide the open source Julia library TropicalNN.jl, which is built on top of the OSCAR computer algebra system and implements the algorithms mentioned above to analyze neural networks symbolically using their tropical representations. We present a set of proof-of-concept computational examples to demonstrate how our tropical geometric theory can be applied to reveal insights on the expressivity of a network architecture.

Deep neural networks (DNNs) are highly vulnerable to adversarial attacks. Ideally, a robust model should perform well on both perturbed training data and unseen perturbed test data. While DNNs can fit perturbed training data, generalizing to perturbed test data remains a significant challenge. This motivates the study of generalization guarantees from a learning theory perspective. This paper focuses on adversarial Rademacher complexity (ARC), first introduced by Khim and Loh (2018) and Yin et al. (2019). Their work primarily addressed linear functions and highlighted the open question of how to bound ARC for neural networks. Since then, several attempts have been made, with the latest results applying ARC only to two-layer neural networks. The main challenge arises from the dynamic nature and unknown closed-form solution of adversarial examples. In this paper, we resolve this issue and provide the first bound on ARC for deep neural networks. Our bound is qualitatively comparable to Rademacher complexity bounds in similar settings. The key ingredient is a new concept we introduce, termed intermediate adversarial examples, along with a framework for calculating the covering number that is compatible with them. Finally, we present experiments to analyze poor robust generalization, demonstrating that the weight norm is a crucial factor influencing the robust generalization gap.

Along with fruitful applications of Deep Neural Networks (DNNs) to realistic problems, recently, some empirical studies of DNNs reported a universal phenomenon of Frequency Principle (F-Principle): a DNN tends to learn a target function from low to high frequencies during the training. The F-Principle has been very useful in providing both qualitative and quantitative understandings of DNNs. In this paper, we rigorously investigate the F-Principle for the training dynamics of a general DNN at three stages: initial stage, intermediate stage, and final stage. For each stage, a theorem is provided in terms of proper quantities characterizing the F-Principle. Our results are general in the sense that they work for multilayer networks with general activation functions, population densities of data, and a large class of loss functions. Our work lays a theoretical foundation of the F-Principle for a better understanding of the training process of DNNs.