We develop a general mathematical framework to analyze scaling regimes and derive explicit analytic solutions for gradient flow (GF) in large learning problems. Our key innovation is a formal power series expansion of the loss evolution, with coefficients encoded by diagrams akin to Feynman diagrams. We show that this expansion has a well-defined large-size limit that can be used to reveal different learning phases and, in some cases, to obtain explicit solutions of the nonlinear GF. We focus on learning Canonical Polyadic (CP) decompositions of high-order tensors, and show that this model has several distinct extreme lazy and rich GF regimes such as free evolution, NTK and under- and over-parameterized mean-field. We show that these regimes depend on the parameter scaling, tensor order, and symmetry of the model in a specific and subtle way. Moreover, we propose a general approach to summing the formal loss expansion by reducing it to a PDE; in a wide range of scenarios, it turns out to be 1st order and solvable by the method of characteristics. We observe a very good agreement of our theoretical predictions with experiment.
One of the chronic problems of deep-learning models is shortcut learning. In a case where the majority of training data are dominated by a certain feature, neural networks prefer to learn such a feature even if the feature is not generalizable outside the training set. Based on the framework of Neural Tangent Kernel (NTK), we analyzed the case of linear neural networks to derive some important properties of shortcut learning. We defined a feature of a neural network as an eigenfunction of NTK. Then, we found that shortcut features correspond to features with larger eigenvalues when the shortcuts stem from the imbalanced number of samples in the clustered distribution. We also showed that the features with larger eigenvalues still have a large influence on the neural network output even after training, due to data variances in the clusters. Such a preference for certain features remains even when a margin of a neural network output is controlled, which shows that the max-margin bias is not the only major reason for shortcut learning. These properties of linear neural networks are empirically extended for more complex neural networks as a two-layer fully-connected ReLU network and a ResNet-18.
Implicit Neural Representations (INRs) have revolutionized continuous signal modeling, yet they struggle to recover fine-grained details within finite training budgets. While empirical techniques, such as positional encoding (PE), sinusoidal activations (SIREN), and batch normalization (BN), effectively mitigate this, their theoretical justifications are predominantly post hoc, focusing on the global NTK spectrum only after modifications are applied. In this work, we reverse this paradigm by introducing a structural diagnostic framework. By performing a layer-wise decomposition of the NTK, we mathematically identify the ``Inlet Rank Collapse'': a phenomenon where the low-dimensional input coordinates fail to span the high-dimensional embedding space, creating a fundamental rank deficiency at the first layer that acts as an expressive bottleneck for the entire network. This framework provides a unified perspective to re-interpret PE, SIREN, and BN as different forms of rank restoration. Guided by this diagnosis, we derive a Rank-Expanding Initialization, a minimalist remedy that ensures the representation rank scales with the layer width without architectural modifications or computational overhead. Our results demonstrate that this principled remedy enables standard MLPs to achieve high-fidelity reconstructions, proving that the key to empowering INRs lies in the structural optimization of the initial rank propagation to effectively populate the latent space.
Bayesian Last Layers (BLLs) provide a convenient and computationally efficient way to estimate uncertainty in neural networks. However, they underestimate epistemic uncertainty because they apply a Bayesian treatment only to the final layer, ignoring uncertainty induced by earlier layers. We propose a method that improves BLLs by leveraging a projection of Neural Tangent Kernel (NTK) features onto the space spanned by the last-layer features. This enables posterior inference that accounts for variability of the full network while retaining the low computational cost of inference of a standard BLL. We show that our method yields posterior variances that are provably greater or equal to those of a standard BLL, correcting its tendency to underestimate epistemic uncertainty. To further reduce computational cost, we introduce a uniform subsampling scheme for estimating the projection matrix and for posterior inference. We derive approximation bounds for both types of sub-sampling. Empirical evaluations on UCI regression, contextual bandits, image classification, and out-of-distribution detection tasks in image and tabular datasets, demonstrate improved calibration and uncertainty estimates compared to standard BLLs and competitive baselines, while reducing computational cost.
Understanding what graph neural networks can learn, especially their ability to learn to execute algorithms, remains a central theoretical challenge. In this work, we prove exact learnability results for graph algorithms under bounded-degree and finite-precision constraints. Our approach follows a two-step process. First, we train an ensemble of multi-layer perceptrons (MLPs) to execute the local instructions of a single node. Second, during inference, we use the trained MLP ensemble as the update function within a graph neural network (GNN). Leveraging Neural Tangent Kernel (NTK) theory, we show that local instructions can be learned from a small training set, enabling the complete graph algorithm to be executed during inference without error and with high probability. To illustrate the learning power of our setting, we establish a rigorous learnability result for the LOCAL model of distributed computation. We further demonstrate positive learnability results for widely studied algorithms such as message flooding, breadth-first and depth-first search, and Bellman-Ford.
We introduce a scalable method to approximate the kernel of the Linearized Laplace Approximation (LLA). For this, we use a surrogate deep neural network (DNN) that learns a compact feature representation whose inner product replicates the Neural Tangent Kernel (NTK). This avoids the need to compute large Jacobians. Training relies solely on efficient Jacobian-vector products, allowing to compute predictive uncertainty on large-scale pre-trained DNNs. Experimental results show similar or improved uncertainty estimation and calibration compared to existing LLA approximations. Notwithstanding, biasing the learned kernel significantly enhances out-of-distribution detection. This remarks the benefits of the proposed method for finding better kernels than the NTK in the context of LLA to compute prediction uncertainty given a pre-trained DNN.
Kolmogorov--Arnold Networks (KANs) have recently emerged as a structured alternative to standard MLPs, yet a principled theory for their training dynamics, generalization, and privacy properties remains limited. In this paper, we analyze gradient descent (GD) for training two-layer KANs and derive general bounds that characterize their training dynamics, generalization, and utility under differential privacy (DP). As a concrete instantiation, we specialize our analysis to logistic loss under an NTK-separable assumption, where we show that polylogarithmic network width suffices for GD to achieve an optimization rate of order $1/T$ and a generalization rate of order $1/n$, with $T$ denoting the number of GD iterations and $n$ the sample size. In the private setting, we characterize the noise required for $(ε,δ)$-DP and obtain a utility bound of order $\sqrt{d}/(nε)$ (with $d$ the input dimension), matching the classical lower bound for general convex Lipschitz problems. Our results imply that polylogarithmic width is not only sufficient but also necessary under differential privacy, revealing a qualitative gap between non-private (sufficiency only) and private (necessity also emerges) training regimes. Experiments further illustrate how these theoretical insights can guide practical choices, including network width selection and early stopping.
The reliability of Large Language Models (LLMs) in high-stakes domains such as healthcare, law, and scientific discovery is often compromised by hallucinations. These failures typically stem from two sources: data-driven hallucinations and reasoning-driven hallucinations. However, existing detection methods usually address only one source and rely on task-specific heuristics, limiting their generalization to complex scenarios. To overcome these limitations, we introduce the Hallucination Risk Bound, a unified theoretical framework that formally decomposes hallucination risk into data-driven and reasoning-driven components, linked respectively to training-time mismatches and inference-time instabilities. This provides a principled foundation for analyzing how hallucinations emerge and evolve. Building on this foundation, we introduce HalluGuard, an NTK-based score that leverages the induced geometry and captured representations of the NTK to jointly identify data-driven and reasoning-driven hallucinations. We evaluate HalluGuard on 10 diverse benchmarks, 11 competitive baselines, and 9 popular LLM backbones, consistently achieving state-of-the-art performance in detecting diverse forms of LLM hallucinations.
While Multimodal Large Language Models (MLLMs) have achieved remarkable success across diverse tasks, their practical deployment is severely hindered by hallucination issues, which become particularly acute during Reinforcement Learning (RL) optimization. This paper systematically analyzes the root causes of hallucinations in MLLMs under RL training, identifying three critical factors: (1) an over-reliance on chained visual reasoning, where inaccurate initial descriptions or redundant information anchor subsequent inferences to incorrect premises; (2) insufficient exploration diversity during policy optimization, leading the model to generate overly confident but erroneous outputs; and (3) destructive conflicts between training samples, where Neural Tangent Kernel (NTK) similarity causes false associations and unstable parameter updates. To address these challenges, we propose a comprehensive framework comprising three core modules. First, we enhance visual localization by introducing dedicated planning and captioning stages before the reasoning phase, employing a quality-based caption reward to ensure accurate initial anchoring. Second, to improve exploration, we categorize samples based on the mean and variance of their reward distributions, prioritizing samples with high variance to focus the model on diverse and informative data. Finally, to mitigate sample interference, we regulate NTK similarity by grouping sample pairs and applying an InfoNCE loss to push overly similar pairs apart and pull dissimilar ones closer, thereby guiding gradient interactions toward a balanced range. Experimental results demonstrate that our proposed method significantly reduces hallucination rates and effectively enhances the inference accuracy of MLLMs.
Reinforcement learning (RL) post-training is a critical stage in modern language model development, playing a key role in improving alignment and reasoning ability. However, several phenomena remain poorly understood, including the reduction in output diversity. To gain a broader understanding of RL post-training, we analyze the learning dynamics of RL post-training from a perspective that has been studied in supervised learning but remains underexplored in RL. We adopt an empirical neural tangent kernel (NTK) framework and decompose the NTK into two components to characterize how RL updates propagate across training samples. Our analysis reveals that limited variability in feature representations can cause RL updates to systematically increase model confidence, providing an explanation for the commonly observed reduction in output diversity after RL post-training. Furthermore, we show that effective learning in this regime depends on rapidly shaping the classifier, which directly affects the gradient component of the NTK. Motivated by these insights, we propose classifier-first reinforcement learning (CF-RL), a simple two-stage training strategy that prioritizes classifier updates before standard RL optimization. Experimental results validate our theoretical analysis by demonstrating increased model confidence and accelerated optimization under CF-RL. Additional analysis shows that the mechanism underlying CF-RL differs from that of linear-probing-then-fine-tuning in supervised learning. Overall, our study formalizes the learning dynamics of RL post-training and motivates further analysis and improvement.