Neural Network

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

Deep networks that rely on prototypes-interpretable representations that can be related to the model input-have gained significant attention for balancing high accuracy with inherent interpretability, which makes them suitable for critical domains such as healthcare. However, these models are limited by their reliance on training data, which hampers their robustness to distribution shifts. While test-time adaptation (TTA) improves the robustness of deep networks by updating parameters and statistics, the prototypes of interpretable models have not been explored for this purpose. We introduce ProtoTTA, a general framework for prototypical models that leverages intermediate prototype signals rather than relying solely on model outputs. ProtoTTA minimizes the entropy of the prototype-similarity distribution to encourage more confident and prototype-specific activations on shifted data. To maintain stability, we employ geometric filtering to restrict updates to samples with reliable prototype activations, regularized by prototype-importance weights and model-confidence scores. Experiments across four prototypical backbones on four diverse benchmarks spanning fine-grained vision, histopathology, and NLP demonstrate that ProtoTTA improves robustness over standard output entropy minimization while restoring correct semantic focus in prototype activations. We also introduce novel interpretability metrics and a vision-language model (VLM) evaluation framework to explain TTA dynamics, confirming ProtoTTA restores human-aligned semantic focus and correlates reliably with VLM-rated reasoning quality. Code is available at: https://github.com/DeepRCL/ProtoTTA.

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

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

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

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

Recently, sparse autoencoders (SAEs) have emerged as a promising technique for interpreting activations in foundation models by disentangling features into a sparse set of concepts. However, identifying the optimal level of sparsity for each neuron remains challenging in practice: excessive sparsity can lead to poor reconstruction, whereas insufficient sparsity may harm interpretability. While existing activation functions such as ReLU and TopK provide certain sparsity guarantees, they typically require additional sparsity regularization or cherry-picked hyperparameters. We show in this paper that dynamically sparse attention mechanisms using sparsemax can bridge this trade-off, due to their ability to determine the activation numbers in a data-dependent manner. Specifically, we first explore a new class of SAEs based on the cross-attention architecture with the latent features as queries and the learnable dictionary as the key and value matrices. To encourage sparse pattern learning, we employ a sparsemax-based attention strategy that automatically infers a sparse set of elements according to the complexity of each neuron, resulting in a more flexible and general activation function. Through comprehensive evaluation and visualization, we show that our approach successfully achieves lower reconstruction loss while producing high-quality concepts, particularly in top-n classification tasks.

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

Over the recent years, the field of robotics has been undergoing a transformative paradigm shift from fixed, single-task, domain-specific solutions towards adaptive, multi-function, general-purpose agents, capable of operating in complex, open-world, and dynamic environments. This tremendous advancement is primarily driven by the emergence of Foundation Models (FMs), i.e., large-scale neural-network architectures trained on massive, heterogeneous datasets that provide unprecedented capabilities in multi-modal understanding and reasoning, long-horizon planning, and cross-embodiment generalization. In this context, the current study provides a holistic, systematic, and in-depth review of the research landscape of FMs in robotics. In particular, the evolution of the field is initially delineated through five distinct research phases, spanning from the early incorporation of Natural Language Processing (NLP) and Computer Vision (CV) models to the current frontier of multi-sensory generalization and real-world deployment. Subsequently, a highly-granular taxonomic investigation of the literature is performed, examining the following key aspects: a) the employed FM types, including LLMs, VFMs, VLMs, and VLAs, b) the underlying neural-network architectures, c) the adopted learning paradigms, d) the different learning stages of knowledge incorporation, e) the major robotic tasks, and f) the main real-world application domains. For each aspect, comparative analysis and critical insights are provided. Moreover, a report on the publicly available datasets used for model training and evaluation across the considered robotic tasks is included. Furthermore, a hierarchical discussion on the current open challenges and promising future research directions in the field is incorporated.

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

Multiplicative gating is widely used in neural architectures and has recently been applied to attention layers to improve performance and training stability in large language models. Despite the success of gated attention, the mathematical implications of gated attention mechanisms remain poorly understood. We study attention through the geometry of its representations by modeling outputs as mean parameters of Gaussian distributions and analyzing the induced Fisher--Rao geometry. We show that ungated attention operator is restricted to intrinsically flat statistical manifolds due to its affine structure, while multiplicative gating enables non-flat geometries, including positively curved manifolds that are unattainable in the ungated setting. These results establish a geometric expressivity gap between ungated and gated attention. Empirically, we show that gated models exhibit higher representation curvature and improved performance on tasks requiring nonlinear decision boundaries whereas they provide no consistent advantage on tasks with linear decision boundaries. Furthermore, we identify a structured regime in which curvature accumulates under composition, yielding a systematic depth amplification effect.

Parameter space is not function space for neural network architectures. This fact, investigated as early as the 1990s under terms such as reverse engineering," or parameter identifiability", has led to the natural question of parameter space symmetries\textemdash the study of distinct parameters in neural architectures which realize the same function. Indeed, the quotient space obtained by identifying parameters giving rise to the same function, called the \textit{neuromanifold}, has been shown in some cases to have rich geometric properties, impacting optimization dynamics. Thus far, techniques towards complete classifications have required the analyticity of the activation function, notably excising the important case of ReLU. Here, in contrast, we exploit the non-differentiability of the ReLU activation to provide a complete classification of the symmetries in the shallow case.

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

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

Shape optimisation of thin-shell structures requires a flexible, differentiable geometric representation suitable for gradient-based optimisation. We propose a neural parametric geometry representation (NRep) for shells based on a neural network with periodic activation functions. The NRep is defined using a multi-layer perceptron (MLP), which maps the parametric coordinates of mid-surface vertices to their physical coordinates. A structural compliance optimisation problem is posed to optimise the shape of a thin-shell parameterised by the NRep subject to a volume constraint, with the network parameters as design variables. The resulting shape optimisation problem is solved using a gradient-based optimisation algorithm. Benchmark examples with classical solutions and comparisons with the free-form deformation method demonstrate that the proposed NRep is capable of representing shell geometries with local geometric features using a small set of network parameters. The robustness of the approach has been demonstrated with different initial geometries, boundary conditions and neural network hyperparameters. The approach also exhibits potential for complex lattice-skin structures, owing to the compact and expressive geometry representation afforded by the NRep.

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

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.

AGI has become the Holly Grail of AI with the promise of level intelligence and the major Tech companies around the world are investing unprecedented amounts of resources in its pursuit. Yet, there does not exist a single formal definition and only some empirical AGI benchmarking frameworks currently exist. The main purpose of this paper is to develop a general, algebraic and category theoretic framework for describing, comparing and analysing different possible AGI architectures. Thus, this Category theoretic formalization would also allow to compare different possible candidate AGI architectures, such as, RL, Universal AI, Active Inference, CRL, Schema based Learning, etc. It will allow to unambiguously expose their commonalities and differences, and what is even more important, expose areas for future research. From the applied Category theoretic point of view, we take as inspiration Machines in a Category to provide a modern view of AGI Architectures in a Category. More specifically, this first position paper provides, on one hand, a first exercise on RL, Causal RL and SBL Architectures in a Category, and on the other hand, it is a first step on a broader research program that seeks to provide a unified formal foundation for AGI systems, integrating architectural structure, informational organization, agent realization, agent and environment interaction, behavioural development over time, and the empirical evaluation of properties. This framework is also intended to support the definition of architectural properties, both syntactic and informational, as well as semantic properties of agents and their assessment in environments with explicitly characterized features. We claim that Category Theory and AGI will have a very symbiotic relation.

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.

Dataset distillation, a training-aware data compression technique, has recently attracted increasing attention as an effective tool for mitigating costs of optimization and data storage. However, progress remains largely empirical. Mechanisms underlying the extraction of task-relevant information from the training process and the efficient encoding of such information into synthetic data points remain elusive. In this paper, we theoretically analyze practical algorithms of dataset distillation applied to the gradient-based training of two-layer neural networks with width $L$. By focusing on a non-linear task structure called multi-index model, we prove that the low-dimensional structure of the problem is efficiently encoded into the resulting distilled data. This dataset reproduces a model with high generalization ability for a required memory complexity of \tildeΘ$$(r^2d+L), where $d$ and $r$ are the input and intrinsic dimensions of the task. To the best of our knowledge, this is one of the first theoretical works that include a specific task structure, leverage its intrinsic dimensionality to quantify the compression rate and study dataset distillation implemented solely via gradient-based algorithms.

Medical image segmentation (MIS) is a fundamental component of computer-assisted diagnosis and clinical decision support. Over the past decade, numerous architectures specifically tailored to medical imaging have emerged to address domain-specific challenges such as low contrast, small anatomical structures, and limited annotated data. In parallel, rapid progress in computer vision has produced highly capable general-purpose vision models (GP-VMs) originally designed for natural images. Despite their strong performance on standard vision benchmarks, their effectiveness for MIS remains insufficiently understood. In this controlled empirical study, we examine whether specialized medical segmentation architectures (SMAs) provide systematic advantages over modern GP-VMs for 2D MIS. We compare eleven SMAs and GP-VMs using a unified training and evaluation protocol across three heterogeneous datasets, each covering different 2D imaging modalities, class structures, and data characteristics. Beyond segmentation performance, we employ linear mixed-effects models (LMMs) for statistical assessment and qualitative Grad-CAM visualizations to investigate explainability (XAI)-related model behavior. Our results imply that, for the analyzed settings, GP-VMs achieve performance comparable to that of specialized MIS models. Moreover, XAI analyses indicate that GP-VMs are capable of identifying clinically relevant structures despite the absence of explicit domain-specific architectural priors. These findings suggest that GP-VMs can represent a viable alternative to domain-specific methods for 2D MIS, highlighting the importance of informed model selection. All code and resources are available at GitHub.

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.

Lipschitz-based robustness certification bounds a network's sensitivity through concrete numerical computation rather than symbolic reasoning, and so scales efficiently. It is increasingly used even where verifiable guarantees matter. Yet, as with most prior work on robustness certification and verification, soundness is typically proved against a semantic model assuming exact real arithmetic. Deployed networks instead execute in floating-point, creating a gap between certified properties and executed behaviour. As motivating evidence, we give counterexamples showing that real arithmetic robustness guarantees can fail under floating-point execution, even for previously verified certifiers. We then develop a formal, compositional theory relating real arithmetic Lipschitz-based sensitivity bounds to floating-point execution under standard rounding-error models for feed-forward ReLU networks. We derive sound conditions for floating-point robustness, including bounds on certificate degradation and sufficient conditions for the absence of overflow. We also give an efficient floating-point Gram iteration algorithm for Lipschitz bounds and prove that it never under-estimates the true norm. Separately, when a model is certified pre-deployment, we show how measuring its actual deviation against a high-precision execution can substantially reduce certificate degradation. We formalise the theory and its soundness, and implement an executable certifier, evaluated across dense networks spanning image, tabular, and many-class classification. To our knowledge, ours is the first method for soundly accounting for floating-point effects in Lipschitz-based robustness certification, and, done efficiently, the first floating-point-sound robustness checking procedure of any kind to certify models' entire test sets -- even those with 500,000 examples -- while retaining enough precision to be practical.

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.

While Adam has long been the ubiquitous default optimizer for deep neural networks, Muon has recently seen rapid adoption due to its superior training speed. Although much of the literature focuses on validating the benefits of Muon, our work investigates the potential downsides of the mechanism driving this speedup. On the theoretical front, we analyze the learning dynamics of simplified Muon on deep linear networks and linear attention. Our analysis reveals that Muon gains speed by avoiding saddle points, but does so at the expense of the simplicity bias characteristic of Gradient Descent (GD), where the complexity of the functional solution learned grows sequentially. Experiments demonstrate the consequences of losing the simplicity bias, showing that Muon struggles to uncover common underlying structure across tasks and may be prone to fitting spurious features. More broadly, this paper serves as a reminder that faster optimization is rarely a free lunch; improvements in optimization can come at the cost of changes in the inductive biases that shape generalization.

Which internal mechanisms of a neural network can be replaced while preserving the computation it performs? Structured pruning asks for smaller deployable networks; causal abstraction asks for high-level models that commute with interventions. We introduce causal mechanism reduction (CMR), a framework that treats a trained network as a deterministic structural causal model and replaces selected internal variables by constants or affine functions of retained variables. These replacements compile exactly into smaller dense networks by bias and weight folding, and induce reduced causal models testable with interchange interventions. We derive a unified second-order replacement-risk objective whose special cases recover mean replacement, variance-based pruning (VBP), logit-distortion scoring, and affine neuron merging, together with a margin-based certificate linking logit distortion to interchange-intervention agreement. The framework also exposes a basic invariance requirement: functionally identical ReLU networks should induce the same reduction. Under exact positive-scaling reparameterizations, VBP's kept set collapses to chance-level overlap while the logit-distortion score is exactly invariant. Empirically, CMR variants are competitive with VBP under matched fine-tuning of DeiT-Tiny on ImageNet-100; the clearer separation appears in the invariance and interchange tests, where the logit-distortion score preserves kept sets and consistently improves distributional fidelity. CMR thus gives pruning, compilation, and causal-abstraction verification a common object to optimize and verify.

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.

Artificial intelligence built on large foundation models has transformed language understanding, computer vision, and reasoning, yet these systems remain isolated and cannot readily share their capabilities. Coordinating the complementary strengths of independently developed, black-box foundation models is essential for trustworthy intelligent systems, yet no established method exists. Here we show that such coordination can be achieved through a meta-ensemble framework termed StackingNet, which aggregates the output predictions of independent models at inference. StackingNet improves accuracy, reduces individual-model error and group-wise disparities, ranks model reliability, and identifies or prunes models that degrade performance, all without access to internal parameters or training data. Across language comprehension, visual attribute estimation, and academic paper rating, it consistently outperforms individual models and classic ensembles, with gains that persist when the base models are uniformly strong. These gains stem from variance reduction and consensus alignment among independent models rather than from any emergent group cognition, and they widen as the model pool grows more diverse. By turning model diversity from a source of inconsistency into a resource for cooperation, StackingNet offers a practical path toward coordinated artificial intelligence, where progress emerges not only from larger single models but from principled cooperation among many specialized ones.

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.

Causal discovery is essential for advancing data-driven fields such as scientific AI and data analysis, yet existing approaches face significant time- and space-efficiency bottlenecks when scaling to large graphs. To address this challenge, we present CauScale, a neural architecture designed for efficient causal discovery that scales inference to graphs with up to 1000 nodes. CauScale improves time efficiency via a reduction unit that compresses data embeddings and improves space efficiency by adopting tied attention weights to avoid maintaining axis-specific attention maps. To keep high causal discovery accuracy, CauScale adopts a two-stream design: a data stream extracts relational evidence from high-dimensional observations, while a graph stream integrates statistical graph priors and preserves key structural signals. CauScale successfully scales to 500-node graphs during training, where prior work fails due to space limitations. Across testing data with varying graph scales and causal mechanisms, CauScale achieves 99.6% mAP on in-distribution data and 84.4% on out-of-distribution data, while delivering 4-13,000 times inference speedups over prior methods. Our project page is at https://github.com/OpenCausaLab/CauScale.

We derive two attention operators from generalized statistical entropies. Kaniadakis entropy yields an exact full-support normalization whose weights and low-score sensitivities decay algebraically, rather than exponentially as in Softmax or by exact truncation as in entmax. Classical Abe entropy yields an implicit reciprocal-symmetric operator. With $q=e^ε$, the involution $q\leftrightarrow q^{-1}$ removes every odd correction about Softmax; we obtain the normalized second- and fourth-order terms, including the deformation of the normalization multiplier. These stationary laws follow from a Fisher-metric Lagrangian on the probability simplex, whose Shannon sector recovers scaled dot-product Softmax. We also give a tangent-gradient test for deciding whether changing the entropy changes the attention profile or only its scale. Rényi and two-parameter Sharma--Mittal entropies retain the Tsallis--entmax inverse-gradient shape, but their global moments make the effective temperature input dependent when the external temperature is fixed. Distinguishing profile-shape equivalence from fixed-parameter operator equivalence separates new normalization shapes from adaptive rescalings and organizes the operators by support, tail behavior, and realization complexity.

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.

The architectural shape of dense Transformers has remained remarkably stable: narrow-wide-narrow feed-forward networks (FFNs) consume most non-embedding parameters. Motivated by theoretical and empirical evidences that residual wide-narrow-wide (hourglass) MLPs remain expressive despite bottlenecks, we revisit whether this architectural convention is necessary for dense language models. We study Hourglass Transformers, which replace the conventional FFN with residual stacks of hourglass sub-MLPs and use hourglass attention to decouple residual-stream width from attention width. This exposes a practical depth-width trade-off: compressing the FFN intermediate dimension allows wider hidden states and fewer layers at matched parameter budgets. Across model scales from 113M to 8B parameters, Hourglass Transformers achieve language-modeling and downstream performance comparable to conventional Transformers, while improving training compute efficiency by $8.7\%$ at matched average downstream accuracy across the 906M, 3B, and 8B scales. After long-context extension, the 8B Hourglass model also outperforms its matched conventional baseline across 4k-64k context lengths. At 64k context, the reduced attention layer count lowers both computation and KV-cache requirements, yielding up to $1.93\times$ faster token decoding and $50\%$ lower KV-cache memory at the 1B scale. These results identify hourglass structures as a practical architecture-efficiency alternative for compute- and latency-conscious Transformer design.

A growing number of neural architectures have been proposed to enforce geometric constraints, including projection-based networks, exponential-map updates, constrained output layers, and manifold neural ODEs. We provide a unified framework for these geometry-preserving architectures by organizing them according to where and how constraints are enforced, either throughout the intermediate layers or only at the final output. This perspective reveals several gaps in the existing theory. To address these gaps, we prove high-level approximation theorems for projected neural ODEs, intermediate augmented architectures, and final augmented architectures on prox-regular constraint sets, including smooth manifolds with boundary. Numerical experiments on synthetic dynamics over S^2, the disk, SO(3), together with real-world protein backbone data on SE(3), demonstrate exact feasibility for analytic updates and show that the final augmentation have simpler architecture and outperform in most tasks considered. When the constraint set is unknown, we learn projections via small-time heat-kernel limits, showing diffusion/flow-matching can be used as data-based projections. Moreover, we also the demonstrate the usefulness of the architectures that enforce non-convex constraints for path planning on manifolds with boundary.

Understanding how the structure of language can be learned from sentences alone is a central question in both cognitive science and machine learning. Studies of the internal representations of Large Language Models (LLMs) support their ability to parse text when predicting the next word, while representing semantic notions independently of surface form. Yet, which data statistics make these feats possible, and how much data is required, remain largely unknown. Probabilistic context-free grammars (PCFGs) provide a tractable testbed for studying these questions. However, prior work has focused either on the post-hoc characterization of the parsing-like algorithms used by trained networks; or on the learnability of PCFGs with fixed syntax, where parsing is unnecessary. Here, we (i) introduce a tunable class of PCFGs in which both the degree of ambiguity and the correlation structure across scales can be controlled; (ii) provide a learning mechanism -- an inference algorithm inspired by the structure of deep convolutional networks -- that links learnability and sample complexity to specific language statistics; and (iii) validate our predictions empirically across deep convolutional and transformer-based architectures. Overall, we propose a unifying framework where correlations at different scales lift local ambiguities, enabling the emergence of hierarchical representations of the data.

Two deep ReLU networks can have entirely different architectures and parameters, yet realize the same function. We provide a complete characterization of this nonuniqueness. This is effected by building a symbolic calculus for deep ReLU networks, equivalence and simplification of networks becoming derivation of formulae, in close parallel to Shannon's analysis of switching circuits through Boolean logic. Inspired by Shannon, who turned circuit synthesis into the manipulation of Boolean formulae by the axioms of Boolean algebra, we turn ReLU network identification into the derivation of Łukasiewicz formulae by the axioms of many-valued (MV) logic. Two non-degenerate ReLU networks realize the same function on the unit cube if and only if one is obtained from the other by finitely many applications of the MV axioms for integer weights and biases, the divisible MV axioms for rational ones, and the Riesz MV axioms for real ones. The MV logic axioms characterize all symmetries of ReLU networks, the single-layer ones, which for tanh networks are the only kind, and the deep ones, spanning three or more layers. Our framework consists of three steps, an extraction algorithm turning a network into a substitution graph, whose represented formula has the network's input-output map as its truth function, a completeness theorem, by which functionally equivalent formulae are interderivable, and a construction algorithm returning from graphs to networks. The substitution graph is layered, carrying at each node a formula in the variables of the layer feeding it, encodes the network uniquely, and induces a new normal form for MV logic, compositional rather than flat as in the literature, hence retaining the algebraic structure of the network, with three local operations--node rewrite, layer collapse, layer expansion--realizing every derivation.

The empirical success of deep learning is often attributed to deep networks' ability to exploit hierarchical structure in data, constructing increasingly complex features across layers. Yet despite substantial progress in deep learning theory, most optimization results sill focus on networks with only two or three layers, leaving the theoretical understanding of hierarchical learning in genuinely deep models limited. This leads to a natural question: can we prove that deep networks, trained with gradient-based methods and standard input-label pairs, can efficiently exploit hierarchical structure? In this work, we consider Random Hierarchy Models -- a hierarchical context-free grammar introduced by arXiv:2307.02129 and conjectured to separate deep and shallow networks. We prove that, under mild conditions, a deep convolutional network can be efficiently trained to learn this function class. Our proof builds on a general observation: if intermediate layers can receive clean signal from the labels and the relevant features are weakly identifiable, then layerwise training each individual layer suffices to hierarchically learn the target function.

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.

Since the turn of the century, approximate Bayesian inference has steadily evolved as new computational techniques have been incorporated to handle increasingly complex, large-scale predictive problems. The recent success of deep neural networks and foundation models has now given rise to a new paradigm in statistical modeling, in which Bayesian inference can be amortized through large-scale learned predictors. In amortized inference, substantial computation is required at the beginning to train a neural network, but it can subsequently produce approximate posteriors or predictions at much lower computational cost across a wide range of tasks. While the typical Bayesian inference procedures are computationally expensive due to repeated likelihood calculations and Monte Carlo steps for each new dataset, amortized inference provides a much lower computational cost at deployment. Despite the growing popularity of amortized inference, its statistical interpretation and position within Bayesian inference remain poorly explored. In this paper, we present a statistical perspective on several major neural architectures, including feedforward networks, Deep Sets, and Transformers, and examine how they naturally support amortized Bayesian inference. We explore how these models perform structured approximation and also probabilistic reasoning in ways that yield controlled generalization error throughout a wide range of deployment scenarios, and how these properties can be harnessed for Bayesian computation. Via simulation studies, we evaluate the accuracy, robustness, and uncertainty quantification of amortized inference across varying sample sizes, varying noise distributional families, varying sparsity levels, and multimodality, highlighting its strengths and limitations.

Learning activation functions has emerged as a promising direction in deep learning, allowing networks to adapt activation mechanisms to task-specific demands. In this work, we introduce a novel framework that employs the Gumbel-Softmax trick to enable discrete yet differentiable selection among a predefined set of activation functions during training. Our method dynamically learns the optimal activation function independently of the input, thereby enhancing both predictive accuracy and architectural flexibility. Experiments on synthetic datasets show that our model consistently selects the most suitable activation function, underscoring its effectiveness. These results connect theoretical advances with practical utility, paving the way for more adaptive and modular neural architectures in complex learning scenarios.

Large language models (LLMs) are increasingly multilingual, yet open models continue to underperform relative to proprietary systems, with the gap most pronounced for African languages. Continued pre-training (CPT) offers a practical route to language adaptation, but improvements on demanding capabilities such as mathematical reasoning often remain limited. This limitation is driven in part by the uneven domain coverage and missing task-relevant knowledge that characterize many low-resource language corpora. We present \texttt{AfriqueLLM}, a suite of open LLMs adapted to 20 African languages through CPT on 26B tokens. We perform a comprehensive empirical study across five base models spanning sizes and architectures, including Llama 3.1, Gemma 3, and Qwen 3, and systematically analyze how CPT data composition shapes downstream performance. In particular, we vary mixtures that include math, code, and synthetic translated data, and evaluate the resulting models on a range of multilingual benchmarks. Our results identify data composition as the primary driver of CPT gains. Adding math, code, and synthetic translated data yields consistent improvements, including on reasoning-oriented evaluations. Within a fixed architecture, larger models typically improve performance, but architectural choices dominate scale when comparing across model families. Moreover, strong multilingual performance in the base model does not reliably predict post-CPT outcomes; robust architectures coupled with task-aligned data provide a more dependable recipe. Finally, our best models improve long-context performance, including document-level translation. Models and code have been released on Huggingface and Github.

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.

Parton Distribution Functions (PDFs) play a central role in describing experimental data at colliders and provide insight into the structure of nucleons. As the LHC enters an era of high-precision measurements, a robust PDF determination with a reliable uncertainty quantification has become mandatory in order to match the experimental precision. The NNPDF collaboration has pioneered the use of Machine Learning (ML) techniques for PDF determinations, using Neural Networks (NNs) to parametrise the unknown PDFs in a flexible and unbiased way. The NNs are then trained on experimental data by means of stochastic gradient descent algorithms. The statistical robustness of the results is validated by extensive closure tests using synthetic data. In this work, we develop a theoretical framework based on the Neural Tangent Kernel (NTK) to analyse the training dynamics of neural networks. This approach allows us to derive, under precise assumptions, an analytical description of the neural network evolution during training, enabling a quantitative understanding of the training process. Having an analytical handle on the training dynamics allows us to clarify the role of the NN architecture and the impact of the experimental data in a transparent way. Similarly, we are able to describe the evolution of the covariance of the NN output during training, providing a quantitative description of how uncertainties are propagated from the data to the fitted function. While our results are not a substitute for PDF fitting, they do provide a powerful diagnostic tool to assess the robustness of current fitting methodologies. Beyond its relevance for particle physics phenomenology, our analysis of PDF determinations provides a testbed to apply theoretical ideas about the learning process developed in the ML community.

Making deep learning recommendation model (DLRM) training and inference fast and efficient is important. However, this presents three key system challenges - model architecture diversity, kernel primitive diversity, and hardware generation and architecture heterogeneity. This paper presents KernelEvolve-an agentic kernel coding framework-to tackle heterogeneity at-scale for DLRM. KernelEvolve is designed to take kernel specifications as input and automate the process of kernel generation and optimization for recommendation model across heterogeneous hardware architectures. KernelEvolve does so by operating at multiple programming abstractions, from Triton and CuTe DSL to low-level hardware agnostic languages, spanning the full hardware-software optimization stack. The kernel optimization process is described as graph-based search with selection policy, universal operator, fitness function, and termination rule, dynamically adapts to runtime execution context through retrieval-augmented prompt synthesis. We designed, implemented, and deployed KernelEvolve to optimize a wide variety of production recommendation models across generations of NVIDIA and AMD GPUs, as well as Meta's AI accelerators. We validate KernelEvolve on the publicly-available KernelBench suite, achieving 100% pass rate on all 250 problems across three difficulty levels, and 160 PyTorch ATen operators across three heterogeneous hardware platforms, demonstrating 100% correctness. KernelEvolve reduces development time from weeks to hours and achieves substantial performance improvements over PyTorch baselines across diverse production use cases and for heterogeneous AI systems at-scale. Beyond performance efficiency improvements, KernelEvolve significantly mitigates the programmability barrier for new AI hardware by enabling automated kernel generation for in-house developed AI hardware.

We develop a statistical theory of temporal learnability in recurrent neural networks, quantifying the maximal temporal horizon $\mathcal{H}_N$ over which gradient-based learning can recover lag-dependent structure at finite sample size $N$. The theory is built on the effective learning rate envelope $f(\ell)$, a function that captures how gating mechanisms and adaptive optimizers jointly shape the coupling between state-space dynamics and parameter updates during Backpropagation Through Time. Under heavy-tailed ($α$-stable) fluctuations, where empirical averages concentrate at rate $N^{-1/κ_α}$ with $κ_α= α/(α-1)$, the interplay between envelope decay and statistical concentration yields explicit scaling laws for the growth of $\mathcal{H}_N$: logarithmic, polynomial, and exponential temporal learning regimes emerge according to the decay law of $f(\ell)$. These results identify envelope decay as the key determinant of temporal learnability. Slower attenuation of $f(\ell)$ enlarges $\mathcal{H}_N$, while heavy-tailed fluctuations compress it by weakening statistical concentration. Moreover, envelope geometry outweighs dataset size: slowing the envelope's decay enlarges $\mathcal{H}_N$ more than adding data, so more complex architectures that realize slower-decaying envelopes can be more data-efficient than simpler ones. Experiments across multiple gated architectures and optimizers corroborate these structural predictions.

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.

Training deep networks with noisy labels leads to poor generalization and degraded accuracy due to overfitting to label noise. Existing approaches for learning with noisy labels often rely on the availability of a clean subset of data. By pre-training a feature extractor on the target dataset without labels using in-domain self-supervised learning (SSL), followed by standard supervised training on the same noisy dataset, we can train a more noise robust model without requiring a subset with clean labels. We evaluate both contrastive and non-contrastive SSL pre-training methods across datasets with synthetic and real-world label noise, demonstrating the broad applicability of our approach across large-scale datasets, diverse downstream tasks, and model architectures. Across all noise rates, in-domain self-supervised pre-training consistently improves classification accuracy and downstream label-error detection (F1 and Balanced Accuracy) compared with supervised training from scratch. The performance gap widens as the noise rate increases, demonstrating improved robustness. Notably, our approach achieves comparable results to ImageNet and DinoV2 pre-trained models at low noise levels, while substantially outperforming them under high noise conditions.