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HS-FNO: History-Space Fourier Neural Operator for Non-Markovian Partial Differential Equations

arXiv.org Machine Learning

Neural operators provide fast surrogate models for time-dependent partial differential equations, but their standard autoregressive use usually assumes that the instantaneous field $u(t,\cdot)$ is a complete state. This assumption fails for delay equations, distributed-memory systems, and other non-Markovian dynamics: two trajectories may agree at time $t$ and nevertheless have different futures because their histories differ. We introduce the History-Space Fourier Neural Operator (HS-FNO), a neural operator for delay and memory-driven PDEs formulated on the lifted state $u_t(ฮธ,x)=u(t+ฮธ,x)$, $ฮธ\in[-ฯ„,0]$. The key computational step is to decompose one history-state update into a learned predictor for the newly exposed future slice and an exact shift-append transport for the portion of the history window already known from the previous state. This avoids learning deterministic history coordinates, reduces the learned output dimension, and enforces the natural discrete history update. We test HS-FNO on five benchmark families covering delayed reaction--diffusion, spatial epidemiology, nonlocal neural-field dynamics, delayed waves, and distributed-memory closures. Across ten random seeds, HS-FNO attains the lowest aggregate one-step, history-space, and rollout errors among the principal baselines. The largest gain occurs in autoregressive prediction, where aggregate rollout error decreases from $0.241$, $0.188$, and $0.185$ for current-state, lag-stack, and unconstrained history-to-history operators, respectively, to $0.094$. The same model uses fewer parameters than unconstrained history prediction. These results indicate that enforcing the discrete shift structure of history-state evolution is an effective inductive bias for non-Markovian PDE surrogate modeling.


Sharp feature-learning transitions and Bayes-optimal neural scaling laws in extensive-width networks

arXiv.org Machine Learning

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


Uniform Scaling Limits in AdamW-Trained Transformers

arXiv.org Machine Learning

We study the large-depth limit of transformers trained with AdamW, by modelling the hidden-state dynamics as an interacting particle system (IPS) coupled through the attention mechanism. Under appropriate scaling of the attention heads, we prove that the joint dynamics of the hidden states and backpropagated variables converge in $L^2$, uniformly over the initial condition, to the solution of a forward--backward system of ODEs at rate $\mathcal O(L^{-1}+L^{-1/3}H^{-1/2})$. Here, $L$ and $H$ denote the depth and number of heads of the transformer, respectively. The limiting system of ODEs can be identified with a McKean--Vlasov ODE (MVODE) when the attention heads do not incorporate causal masking. By using the flow maps associated with this MVODE and applying concentration of measure techniques, we obtain bounds on the difference between the discrete and continuous models that are uniform over compact sets of initial conditions. As this is achieved without resorting to a covering argument, the constants in our bounds are independent of the number of tokens. Furthermore, under a suitable adaptation to AdamW, the bounds become independent of the token embedding dimension.


Sensor Design for Accuracy-Bounded Estimation via Maximum-Entropy Likelihood Synthesis

arXiv.org Machine Learning

Designing the sensing architecture for large-scale spatio-temporal systems is hard when accuracy requirements are specified but sensor models are uncertain or unavailable. Classical design treats sensor placement and estimation sequentially, requiring valid forward models for each sensing modality. This paper inverts the design flow: given an error budget, synthesize the measurement likelihood that enforces it while injecting minimal information beyond the dynamical prior. The likelihood is constructed by constrained optimization: among all posteriors satisfying a prescribed accuracy bound relative to a target, select the one minimizing Kullback-Leibler divergence from the prior. The solution is a maximum-entropy posterior in relative-entropy form, and the induced likelihood is the Radon-Nikodym derivative. The framework accommodates arbitrary discrepancies and is instantiated for Wasserstein distance, maximum mean discrepancy, $f$-divergences, moment constraints, and hybrid metrics. For each, we derive the discrete particle-level problem, analyze its convex or convex-relaxed structure, and present solvers with complexity scaling. A closed-form solution exists for the symmetric exponential-tilt case, and a distillation procedure converts nonparametric likelihood samples into parametric forms. A two-layer sensor design architecture embeds the synthesized likelihood in the recursive predict-update loop, connecting accuracy budgets to physical sensor placement, precision, and configuration. Numerical experiments comparing four metrics on unimodal and multimodal scenarios confirm the accuracy constraints are reliably enforced and reveal how metric choice determines the amount and spatial distribution of injected information.


Interpretable Machine Learning for Spatial Science: A Lie-Algebraic Kernel for Rotationally Anisotropic Gaussian Processes

arXiv.org Machine Learning

Many three-dimensional spatial fields are anisotropic, with directions of rapid and slow variation that need not align with the coordinate axes. Standard Gaussian process kernels with Automatic Relevance Determination (ARD) capture only axis-aligned anisotropy, while generic full symmetric positive definite (SPD) metrics can represent rotated anisotropy but do not parameterise principal length-scales and directions directly. We introduce an interpretable rotationally anisotropic GP kernel that parameterises a three-dimensional SPD covariance metric using three principal length-scales and an explicit SO(3) rotation. The rotation is represented by an axis-angle vector and mapped to SO(3) via the Lie-algebra exponential map, giving unconstrained Euclidean coordinates for inference while always inducing a valid SPD metric. The construction spans the same family of three-dimensional SPD covariance metrics as a generic full-SPD parameterisation, but exposes the geometry differently: length-scales and orientation are explicit, interpretable, and directly available for prior specification and posterior summaries. We perform Bayesian inference on these quantities using Markov Chain Monte Carlo (MCMC), and characterise the resulting symmetries and weakly identified regimes. On synthetic data with rotated anisotropy, the posterior recovers the generating metric and improves prediction relative to an axis-aligned ARD baseline, while matching the predictive performance of a generic full SPD baseline. When the ground truth is axis-aligned, posterior mass concentrates near the identity rotation and predictive performance matches ARD. On a material-density dataset from a laboratory-fabricated nano-brick, the inferred metric reveals rotated anisotropy that is not captured by axis-aligned kernels.


Muon is Not That Special: Random or Inverted Spectra Work Just as Well

arXiv.org Machine Learning

The recent empirical success of the Muon optimizer has renewed interest in non-Euclidean optimization, typically justified by similarities with second-order methods, and linear minimization oracle (LMO) theory. In this paper, we challenge this geometric narrative through three contributions, demonstrating that precise geometric structure is not the key factor affecting optimization performance. First, we introduce Freon, a family of optimizers based on Schatten (quasi-)norms, powered by a novel, provably optimal QDWH-based iterative approximation. Freon naturally interpolates between SGD and Muon, while smoothly extrapolating into the quasi-norm regime. Empirically, the best-performing Schatten parameters for GPT-2 lie strictly within the quasi-norm regime, and thus cannot be represented by any unitarily invariant LMO. Second, noting that Freon performs well across a wide range of exponents, we introduce Kaon, an absurd optimizer that replaces singular values with random noise. Despite lacking any coherent geometric structure, Kaon matches Muon's performance and retains classical convergence guarantees, proving that strict adherence to a precise geometry is practically irrelevant. Third, having shown that geometry is not the primary driver of performance, we demonstrate it is instead controlled by two local quantities: alignment and descent potential. Ultimately, each optimizer must tune its step size around these two quantities. While their dynamics are difficult to predict a-priori, evaluating them within a stochastic random feature model yields a precise insight: Muon succeeds not by tracking an ideal global geometry, but by guaranteeing step-size optimality.


Adaptive Policy Learning Under Unknown Network Interference

arXiv.org Machine Learning

Adaptive experimentation under unknown network interference requires solving two coupled problems: (i) learning the underlying dynamics of interference among units and (ii) using these dynamics to inform treatment allocation in order to maximize a cumulative outcome of interest (e.g. revenue). Existing adaptive experimentation methods either assume the interference network is fully known or bypass the network by operating on coarse cluster-level randomizations. We develop a Thompson sampling algorithm that jointly learns the interference network and adaptively optimizes individual-level treatment allocations via a Gibbs sampler. The algorithm returns both an optimized treatment policy and an estimate of the interference network; the latter supports downstream causal analyses such as estimation of direct, indirect, and total treatment effects. For additive spillover models, we show that total reward is linear in the treatment vector with coefficients given by an $n$-dimensional latent score. We prove a Bayesian regret bound of order $\sqrt{nT \cdot B \log(en/B)}$ for exact posterior sampling; empirically, our Gibbs-based approximate sampler achieves regret consistent with this rate and remains sublinear when the additive spillovers assumption is violated. For general Neighborhood Interference, where this reduction is unavailable, we analyze an explore-then-commit variant with $O(n^2 \log T)$ graph-discovery cost. An information-theoretic $ฮฉ(n \log T)$ lower bound complements both results. Empirically, our method achieves more than an order-of-magnitude reduction in regret in head-to-head comparisons. On two real-world networks, the algorithm achieves sublinear regret and yields downstream effect estimates with small RMSE relative to the truth.


A Stable Distance Persistence Homology for Dynamic Bayesian Network Clustering

arXiv.org Machine Learning

Dynamic Bayesian networks (DBNs) are a widely used framework for modeling systems whose probabilistic structure evolves over time. Standard inference methods focus on local conditional distributions and can miss larger-scale patterns in how dependencies between variables organize and change over time. We introduce a topological approach to this problem. To each DBN we associate a time-varying graph, called a Dynamic Bayesian Graph (DBG), by assigning to each edge a strength that measures variation in its conditional dependence across parent configurations, and retaining edges whose strength exceeds a chosen threshold. We show that this construction fits within the dynamic graph framework of Kim and Mรฉmoli, enabling the use of tools from topological data analysis. Applying persistent homology to a DBG produces a barcode, which records the merging and disappearance of connected groups of strongly dependent variables over time. We prove that this barcode is stable: small perturbations in the conditional probability tables of the DBN lead to small changes in the resulting barcode. This yields a principled and noise-resistant summary of how dependency structure evolves in a dynamic Bayesian network.


Extending Kernel Trick to Influence Functions

arXiv.org Machine Learning

In this paper, we present a dual representation of the influence functions, whose computational complexity scales with dataset size rather than model size. Both analytically and experimentally, we show that this representation can be an efficient alternative to the original influence functions for estimating changes in parameters, model outputs and loss due to data point removal, when model size is large relative to dataset size, or when evaluating the original influence functions in parameter space is infeasible. The dual representation, however, is limited to linearizable models, which are models whose behavior can be approximated by their linearizations throughout training, and requires materializing a matrix, whose size grows with the product of model output dimension and dataset size.


Couple to Control: Joint Initial Noise Design in Diffusion Models

arXiv.org Machine Learning

Diffusion models typically generate image batches from independent Gaussian initial noises. We argue that this independence assumption is only one choice within a broader class of valid joint noise designs. Instead, one can specify a coupling of the initial noises: each noise remains marginally standard Gaussian, so the pretrained diffusion model receives the same single-sample input distribution, while the dependence across samples is chosen by design. This reframes initial-noise control from selecting or optimizing individual seeds to designing the dependence structure of a multi-sample gallery. This view gives a general framework for initial-noise design, covering several existing methods as special cases and leading naturally to new coupled-noise constructions. Coupled noise can improve generation on its own without adding sampling cost, and it is flexible enough to serve as a structured initialization for optimization-based pipelines when additional computation is available. Empirically, repulsive Gaussian coupling improves gallery diversity on SD1.5, SDXL, and SD3 while largely preserving prompt alignment and image quality. It matches or outperforms recent test-time noise-optimization baselines on several diversity metrics at the same sampling cost as independent generation. Subspace couplings also support fixed-object background generation, producing diverse, natural backgrounds compared with specialized inpainting baselines, with a tunable trade-off in foreground fidelity.