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383 papers

#machine learning Preprint Aug 2026

Learning between the peaks: sharp asymptotics for kernel ridge regression under power-law anisotropy

We study kernel ridge regression under anisotropic Gaussian data, where the input covariance decays as a power law with exponent $\alpha\geq 0$ for polynomial inner-product kernels. We derive asymptotically sharp expressions for the kernel spectrum and the generalization error in the polynomial high-dimensional regime $n=\Theta(d^\kappa)$, revealing how anisotropy reshapes the learning curves. For weak anisotropy ($0<\alpha<1$), the problem remains effectively high-dimensional and retains some features of the isotropic case, while departing from it in others: the variance still peaks at integer sample complexities $\kappa\in\mathbb{N}$, but these peaks are progressively damped as $\alpha$ grows; meanwhile, for targets strongly aligned with the data's principal directions, the bias drops at fractional sample complexities, decoupling the bias transitions from the interpolation peaks. For strong anisotropy ($\alpha>1$), the effective dimension of the problem is constant, and the variance stops depending on sample size altogether, plateauing under ridgeless interpolation or vanishing at an explicit rate under fixed ridge penalty. The bias undergoes a sharp transition governed by the target's decay rate: below a threshold, learning is abrupt rather than gradual; above it, the bias decays as a power law that recovers the classical source and capacity rates. We finally specialize these results to single-index targets, showing how the alignment of the index with the data's principal directions determines the effect of anisotropy on learning. Together, our results clarify how the input geometry shapes the kernel features and fundamentally impacts its generalization properties.

Lorenzo Rizzi, Arie Wortsman Zurich, Bruno Loureiro · 0 citations
#machine learning Preprint Aug 2026

Generalized Splines and Gaussian Processes

For finite-dimensional linear inverse problems where the variables are Gaussian, it is well-known that the minimum-mean-square error estimator takes the form of a regularized least-squares data fit. In this chapter, we show that this equivalence extends to a much broader infinite-dimensional setting where generalized splines take the role of linear regressors and generalized Gaussian processes on a nuclear space $S$ are the counterpart of Gaussian random vectors. The scope of this extension is of the same nature as the switch from the classic notion of function to that of a distribution, also known as a"generalized function."Our formalism involves a whitening/regularization operator $L: S\to S'$ whose continuous extension induces a native Hilbert space $H\subset S'$ that plays a central role in our characterization. The presentation is self-contained for the most part and remarkably general and powerful. It allows for the recovery of all known instances of such equivalences; in particular, the methods involving innovations and reproducing-kernel Hilbert spaces developed by Kailath and his students, and the mathematical correspondence between fractional splines and Mandelbrot's fractional Brownian motion (fractals), with the former being the optimal estimators of the latter. It also covers general Bayesian methods for the resolution of infinite-dimensional inverse problems.

Michael Unser · 0 citations
#machine learning Preprint Open access Aug 2026

Localizing Global Discrepancies: Marginal Contributions and Contextual Anomaly Detection

Global goodness-of-fit and discrepancy statistics can establish that a sample departs from a reference distribution without identifying which observations drive the departure. We develop a framework for this localization problem by assigning to each observation its conditional or marginal contribution across random statistical contexts. This connects resampling diagnostics and data valuation to projection theory and event-level anomaly detection. For symmetric statistics, fixed-size replacement is exactly equivalent to centered conditional localization. For U-statistics, the addition score equals the first Hoeffding/H\'ajek contribution; for smooth distributional functionals it is related at leading order to the influence function; and for unbiased known-background MMD it reduces exactly to the MMD witness. This viewpoint also yields more efficient estimators. Matched-context subtraction removes fluctuations unrelated to the observation, while for pairwise MMD the event-containing terms give a simple localizer. On the LHC Olympics anomaly-detection benchmark, the pair estimator converges to the direct empirical MMD witness with the predicted 1/(Rm^2) scaling, where m is batch size and R the number of batches. At m=1000 and R=5x106 it reaches correlation 0.9993 with essentially identical AUC. We also ask when context contains information beyond an event's own features. In a shared-latent toy model, the full single-event signal and background distributions are identical by construction, forcing isolated-event AUC=0.5. Discriminating information survives only in cross-event dependence induced by the shared latent parameter; the ensemble recovers this information, whereas an independent-latent control does not. This separates two roles of context: efficient localization of a global discrepancy and genuinely additional class information when the alternative contains shared structure.

Tommaso dorigo · 0 citations
#machine learning Preprint Open access Aug 2026

I-FLOP: Fast Learning of Order and Parents from Interventional Data

We extend the FLOP (fast learning of order and parents) algorithm recently proposed by Wien\"obst et al. (2026) from observational to interventional data. In particular, we use the interventional BIC score of Hauser and B\"uhlmann (2012), adapting it to be used with the iterative Cholesky-based score updates that are partly responsible for FLOP's speed. We show that, in the sample limit, I-FLOP recovers a DAG in the same interventional Markov equivalence class as the data-generating DAG. We compare I-FLOP to existing causal structure learning algorithms on real and simulated interventional data, where it performs favorably in terms of both performance and run time.

Liuting Chen, Alex Markham · 0 citations
#machine learning Preprint Open access Aug 2026

On the Computational and Statistical Efficiency of the Empirical Maximum Entropy on the Mean Method

The Maximum Entropy on the Mean (MEM) method provides a flexible computational framework for solving inverse problems by combining data fidelity with entropy-based regularization. In practice, however, the prior distribution is typically unknown but can be estimated from data, giving rise to the empirical MEM method. We establish a parametric convergence rate of $O(n^{-1/2})$ in expectation for empirical MEM, improving upon the previously established $O(n^{-1/4})$ guarantee by King-Roskamp et al. (2026). Our proof is based on a novel stability analysis of the primal and dual optimization problems under perturbations of the underlying probability measure, relying only on foundational tools from convex analysis and probability. We further show that the MEM dual problem admits a reformulation as an expected risk minimization problem, thereby placing MEM within the modern framework of stochastic optimization and enabling scalable stochastic gradient algorithms for large-scale inverse problems. Together, these results place empirical MEM as a statistically and computationally efficient methodology for data-driven inverse problems.

Matthew King-Roskamp, Gabriel Rioux, Rustum Choksi et al. · 0 citations
#machine learning Preprint Aug 2026

Towards a mathematical theory of superposition

We develop a mathematical theory of superposition in neural networks using tools from frame theory and compressed sensing. In our model, a sparse binary vector \(x\) of active features is encoded through an overcomplete dictionary \(W\), and feature recovery is performed by applying \(\operatorname{ReLU}(W^\top W x+b)\) with an appropriate bias vector \(b\). We prove several recovery theorems for this model. In the random-support setting, we establish high-probability support recovery for nearly tight, low-coherence dictionaries, with guarantees when the expected sparsity is up to order \(d/\log n\). In the worst-case support setting, we give a sharp and computable criterion for which sparsity levels permit support recovery. We apply this criterion to Gaussian random matrices and equiangular tight frames. For real equiangular tight frames with \(n>d+1\), we determine the exact recovery threshold in terms of the coherence. The proof of this result for real equiangular tight frames relies on a novel characterization---which should be of independent interest to frame theorists---of the distribution of signs in the Gram matrix.

Michael I. Ivanitskiy, J. Jasper, Emily J. King et al. · 0 citations
#machine learning Preprint Open access Aug 2026

Optimal Transport for Network Comparison: A Review with Machine Learning Applications

Network comparison using optimal transport is a growing area of research in network science. Unlike standard graph metrics, optimal transport computes both network dissimilarity and a transport plan that explains how one graph morphs into another. In this paper, we review how optimal transport compares undirected, unweighted graphs using three primary distances: the Wasserstein, Gromov-Wasserstein, and Bures-Wasserstein distances. We examine the closed form of the Wasserstein distance in one dimension via node feature probability distributions, and show how the transport plans of the Wasserstein and Gromov-Wasserstein distances capture which specific nodes influence the distance after graph perturbation. For the Bures-Wasserstein distance, we derive bounds using Laplacian spectra to bypass full spectral decompositions. Finally, we evaluate these distances using a synthetic network dataset for clustering and a real-world time series network for anomaly detection.

James Hyun, Fran\c{c}ois G. Meyer · 0 citations
#machine learning Preprint Open access Aug 2026

Generalized Gibbs Ensemble Weighting for Forecast Combination

Forecast combination is a reliable way to improve predictive performance when several forecasting models are available. Simple aggregation rules such as the mean, median, trimmed mean, inverse-loss weighting, and exponential weighting are often strong baselines, but their relative performance can vary across datasets, forecast horizons, deployment settings, and levels of disagreement among base forecasters. We develop Generalized Gibbs Ensemble Weighting (GGEW), a probabilistic framework that treats forecasting models as experts and assigns ensemble weights using a Gibbs-style exponential transformation of normalized predictive loss. The framework extends this basic weighting rule through numerical stabilization, diversity-aware score corrections, and online hyperparameter adaptation. GGEW produces a family of related methods, including Stable Gibbs weighting, Directional Gibbs-NCL, and Symmetric Gibbs-NCL. These variants share one core algorithm and differ only in the score used inside the exponential weighting rule. For sequential deployment, we adopt a UCB-style bandit mechanism, called online Local-UCB, to adapt the learning rate, diversity strength, and Gibbs variant without evaluating the full hyperparameter grid at every prediction step. We evaluate GGEW on official M4 competition forecast submissions and external rolling-origin deployment experiments using Monash Traffic Hourly, Electricity Hourly, and Solar Weekly datasets. Results suggest that Gibbs-style adaptive weighting is a useful and competitive tool across several benchmark settings, although its relative performance varies across datasets, forecast horizons, deployment protocols, and forecast disagreement groups. The contribution is not a universal dominance claim, but a framework and empirical study motivating further investigation of when adaptive Gibbs-style forecast combination is useful.

Prasen R. Nuthanakaluva, Nava K. Gaddam · 0 citations
#machine learning Preprint Open access Aug 2026

Fast Weight Attention for Continual Learning

Recurrent fast-weight memories and selective state-space models compress an expanding context into a fixed-size recurrent state, making the state transition an online learning rule. We study this rule under read-after-write autoregressive semantics. For the prefix-prediction objective considered here, the local fast-memory example revealed at step $t$ is the prefix-aligned pair $(\mathbf{x}_t,\mathbf{y}_t)=(\phi(\mathbf{k}_{t-1}),\mathbf{v}_t)$. The common same-step association $(\phi(\mathbf{k}_t),\mathbf{v}_t)$ remains causal, but optimizes a different internal objective. We derive normalized first-order updates for squared-error regression and negative inner-product objectives. The regression family comprises Falcon-1 (a scalar NLMS update), Falcon-2 (its per-column extension), and Falcon-3 (a sliding-window mini-batch update); Falcon-1A/Falcon-2A/Falcon-3A are the corresponding inner-product variants. We provide recurrent, masked-parallel, and chunk-parallel forms, together with numerically stable positive-decay renormalization. Representative variants remain competitive in language modeling and improve length extrapolation on variable-digit addition. This framework separates temporal alignment, plasticity, forgetting, and bounded rehearsal in recurrent sequence models.

Yifan Zhang, Steve Ta, Jasper Zhang et al. · 0 citations
#artificial intelligence Preprint Open access Aug 2026

Negligible in Size, Significant in Effect: On Scale Vectors in Large Language Models

Normalization layers in modern large language models (LLMs) consist of a deterministic normalization operation and a learnable scale vector. While the normalization operation has been extensively studied, the scale vector remains poorly understood despite its ubiquitous use. In this work, we present a systematic study of scale vectors in LLMs from the perspectives of expressivity, optimization, and architectural structure. First, we show empirically that although scale vectors constitute only a negligible fraction of model parameters, removing them substantially degrades LLM pre-training. Our theory further shows that, in Pre-Norm architectures, scale vectors do not increase expressivity; instead, they improve optimization through a self-amplifying preconditioning effect on subsequent linear mappings. Second, we investigate the role of weight decay for scale vectors. By distinguishing Input-Norm and Output-Norm layers, we theoretically show that weight decay is beneficial for the former but harmful for the latter, due to their distinct roles in optimization and expressivity. Third, motivated by this understanding, we propose three lightweight and complementary improvements to scale vectors: branch-specific heterogeneity, improved placement around linear mappings, and magnitude-direction reparameterization. Both theory and experiments show that each improvement yields consistent gains. Finally, we combine these improvements into a unified scale-vector strategy and evaluate it through extensive LLM pre-training experiments on dense and mixture-of-experts models ranging from 0.12B to 2B parameters, across multiple optimizers and learning rate schedules, under industrial-scale token budgets. The unified strategy consistently achieves lower terminal loss than well-tuned baselines and exhibits more favorable scaling behavior, while adding negligible parameter and computational overhead.

Mingze Wang, Shuchen Zhu, Yuxin Fang et al. · 0 citations
#artificial intelligence Preprint Open access Aug 2026

More Expressive Feedforward Layers: Part I. Token-Adaptive Mixing of Activations

Feedforward network (FFN) layers account for a large fraction of parameters and nonlinear expressivity in Transformer-based large language models (LLMs). Despite the evolution from ReLU and GELU to gated variants such as SwiGLU, most FFN designs still use a single fixed activation function, applying the same nonlinear transformation to all tokens. In this work, we propose Mixture of Activations (MoA), a token-adaptive FFN design that mixes a dictionary of activation functions using lightweight input-dependent gates while sharing the same linear projections. As an input-independent counterpart, we also introduce learnable activations (LA), which form linear combinations of activation functions for both ReLU-type and SwiGLU-type FFNs. Theoretically, we establish strict finite-width expressive separations among fixed-activation FFNs, LA, and MoA: LA strictly contains fixed-activation FFNs, while MoA strictly contains LA, with the additional expressivity arising from input-dependent nonlinear hybridization. Empirically, we evaluate MoA through extensive pre-training experiments on dense and MoE language models ranging from 0.12B to 2B parameters under different token budgets, optimizers, and learning rate schedules. MoA consistently achieves lower terminal loss and exhibits more favorable scaling behavior than well-tuned baselines, with minimal parameter and computational overhead. These results suggest that token-adaptive activation mixing is a simple and effective mechanism for improving FFN expressivity in LLMs.

Mingze Wang, Jinbo Wang, Yikuan Xia et al. · 0 citations
#artificial intelligence Preprint Open access Aug 2026

Let the Flows Tell: Solving Graph Combinatorial Optimization Problems with GFlowNets

Combinatorial optimization (CO) problems are often NP-hard and thus out of reach for exact algorithms, making them a tempting domain to apply machine learning methods. The highly structured constraints in these problems can hinder either optimization or sampling directly in the solution space. On the other hand, GFlowNets have recently emerged as a powerful machinery to efficiently sample from composite unnormalized densities sequentially and have the potential to amortize such solution-searching processes in CO, as well as generate diverse solution candidates. In this paper, we design Markov decision processes (MDPs) for different combinatorial problems and propose to train conditional GFlowNets to sample from the solution space. Efficient training techniques are also developed to benefit long-range credit assignment. Through extensive experiments on a variety of different CO tasks with synthetic and realistic data, we demonstrate that GFlowNet policies can efficiently find high-quality solutions. Our implementation is open-sourced at https://github.com/zdhNarsil/GFlowNet-CombOpt.

Dinghuai Zhang, Hanjun Dai, Esmeralda S. Whitammer et al. · 0 citations

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