In such settings, the inverse scattering transform (IST) of Ablowitz, Kaup, Newell, and Segur [2] has enjoyed a rich and successful history, and is now the standard theoretical framework for deriving reduced-order evolution equations for soliton dynamics. Although these derivations are traditionally of an analytical - rather than data-driven - nature, recent work has employed the IST formalism as a tool for experimental data analysis, using the technique to analyze soliton content from empirical measurements [8, 15, 24]. Moreover, recent approaches using alternative parameterization techniques have demonstrated that the learning of reduced-order, interpretable equations of motion for solitons is tenable in a data-driven setting [6, 26, 27]. Despite the success of this recent work, however, little effort has been devoted to developing a data-driven modeling approach based on the IST itself, most likely due to the fact that the framework is fundamentally problem-specific. In this paper, we address the question of whether effective soliton dynamics can be inferred directly from observed scattering data (as opposed to being derived or approximated analytically).

Computational models in science and engineering are often assessed by checking whether the residual norm is consistent with the assumed noise level. This can be misleading in smoothing inverse problems: structured model errors may be attenuated in observation space, leaving residual magnitudes below practitioner discrepancy thresholds while coherent residual patterns remain. As a result, residual-norm diagnostics can accept fitted models that still give biased parameters, predictions, or quantities of interest. We propose a structure-sensitive sequential diagnostic based on e-processes. The method uses a portfolio of spatial residual-pattern experts, updates their likelihood-ratio wealth as observations are processed, and rejects the fitted model when the aggregate wealth crosses a prescribed threshold, giving anytime-valid type-I error control for a fixed fitted model. We compare the method with Morozov discrepancy checks, fixed-sample residual tests, and batch projection tests. Across three inverse problems (elliptic diffusion, two-dimensional Stokes flow, and a glaciological ice-stream inversion implemented in the community finite-element model icepack) we demonstrate how standard discrepancy checks accept misspecified fits that produce materially wrong quantities of interest. Structure-sensitive batch tests detect these failures using the full dataset, while the e-process detects them earlier from a fraction of the observations. After rejection, the expert wealth attributes the evidence to residual patterns in the chosen dictionary and provides a basis for exploratory model correction.

Aqueous solubility is a key property in early-stage drug discovery, but most predictive models merge physicochemical descriptors and molecular graph information into a single representation, obscuring whether a prediction is driven by global chemistry, molecular structure, or both. We present an additive deep-learning framework that keeps these two sources of information separate throughout training: physicochemical descriptors are encoded by a multilayer perceptron (the chemical branch) and molecular graph topology by a graph neural network (the structural branch), with the two outputs combined only at the prediction stage through an additive model with an optional multiplicative interaction. This design provides a direct decomposition of chemical and structural components that can be examined separately after training. Furthermore, pretraining on the larger AqSolDB dataset and fine-tuning on the smaller BigSolDB2 dataset substantially improve accuracy and reduce run-to-run variations, indicating generalizability of the learned features from the data-rich settings. We further interpret the fitted model using best linear projections of the branch outputs, molecule-level embedding summaries across solubility classes, and atom-level GNNExplainer masks aggregated over functional groups. These analyses show that the chemical branch aligns with familiar physicochemical descriptors, while the structural branch captures graph-topological and functional-group patterns associated with solubility. Across both datasets, the framework attains competitive predictive performance while making the distinct roles of chemical and structural information more transparent.

We investigate a forecasting framework based on a simple discrete-time dynamic model with coefficients varying in time. The parameters of the model are recovered within a deep learning framework, which makes it possible to retain a transparent parametric structure while simultaneously accounting for complex and nonstationary patterns in the observed phenomenon. Our analysis covers two specifications of the noise process. Besides the standard Gaussian setting, we also consider Laplace-distributed noise, which can offer a more adequate description in the presence of heavier tails and sharper local fluctuations. For both cases, we formulate the predictive scheme of the model and analyze the associated uncertainty quantification, including the construction of prediction intervals. The results illustrate that a relatively simple model, when combined with time-dependent parameter estimation, can serve as a mathematically tractable and practically flexible tool for forecasting complex dynamics under different noise assumptions. The general model is stated for TVAR($p$), while the prediction-interval formulas and the numerical experiments are developed for the TVAR(1) case.

Shuffle order can be a larger source of fine-tuning noise than a memoryless analysis predicts: fixed-clock optimizer memory makes local equal-multiset contrasts first order in the learning rate rather than second order, and the resulting order channel can be large enough for a single seed to flip a close A/B comparison. We isolate this mechanism and derive a fit-free way to size the noise it produces. For a memoryless optimizer, reordering an equal multiset has no first-order endpoint term; the leading local contrast is the $O(η^2)$ gradient bracket. Fixed-clock optimizers such as AdamW are different. Their moment buffers, preconditioner state, and de-biasing counters advance with the step index rather than with the learning-rate-scaled time $τ=ηk$, so the same gradient can receive a position-dependent endpoint weight. For any fixed finite measurement window, a lifted-state expansion gives an $O(η)$ equal-multiset contrast whenever the first-order replay coefficient is nonzero, while regular and clock-matched controls remain $O(η^2)$; a bare fixed-$β$ momentum buffer is already enough. A bitwise-deterministic replay from one warmed optimizer state isolates the mechanism, giving order-variance slopes 1.83 for AdamW, 2.00 for fixed-$β$ momentum, and 4.00 for SGD; matching the memory clock to $τ$ restores the regular exponent. For AdamW with a frozen preconditioner, the same impulse-weight kernel gives a closed-form asymptotic order-variance floor after the local potentials are measured, with no fitted coefficients. The result is local to the measurement window (independent reshuffling can average the channel across windows), but it yields order-noise error bars, positional attribution weights, and a seed-budget criterion for fine-tuning comparisons.

A central challenge in statistical modeling is identifying the subset of features that belong in the true regression model. The classical best subset selection problem, recently made tractable via mixed-integer optimization (MIO), finds the globally optimal sparse solution. It does not, however, make use of any information beyond the observed data. In many applied settings, domain experts can meaningfully rank or score the relevance of candidate predictors, yet no existing framework integrates such probabilistic expert assessments directly into the best-subsets objective. This paper presents Expert-Implied Bayesian Best Subsets (EBBS), a method that incorporates domain-expert probability estimates of feature relevance into the MIO best-subsets problem through a maximum a posteriori (MAP) framework. Expert views from multiple respondents are aggregated into a single prior probability per feature using the Poisson binomial distribution for marginal probability estimates, the pairwise win rate for pairwise comparisons, or the normalized mean rank for ordinal rankings. This probability enters the objective function as a log-odds penalty term that smoothly encourages or discourages the selection of each feature consistent with the expert consensus. This paper provides analytic derivations of the MAP formulation and characterizes its theoretical properties. The proposed model reduces to Best Subsets when experts all have no views. Empirical results on synthetic and real datasets are forthcoming.

Bogomolny, Bohigas and Schmit (BBS) found that the spectrum of the pairwise distance matrix on N points sampled from a smooth d-dimensional manifold encodes a signature of the underlying geometry. We develop I-BBS (Inference-BBS), a coordinate-free method that identifies a low-dimensional latent sub-manifold embedded in a high-dimensional ambient distance matrix alone, without accessing an ambient high-dimensional vector space. It therefore applies even when that space is only partly observable or undefined. We model the ambient embedding by two classes of generative noise, model-based and model-free. The noise mixes the latent signal with off-manifold components, so the eigenvalues reorganise collectively and the latent geometry cannot be read off eigenvalue by eigenvalue. We recover it instead from two integer-stable signatures that survive the noise: the multiplicity of the top non-Perron multiplet, which fixes $d$, and a parameter-free law for how the multiplet positions shrink as the noise grows. On synthetic spheres $S^1$, $S^2$ and $S^3$ these integer signatures are far more stable under noise than the continuous spectral slope, and a blind test recovers both the manifold and the noise model from a single distance matrix. Applications to neural-network representations and to the dynamic training regime are developed in two companion papers.

In this paper, we study Nyström subsampling for vector-valued regression in vector-valued reproducing kernel Hilbert spaces. Standard kernel methods often suffer from prohibitive computational costs due to the construction and inversion of large kernel matrices, which limits their scalability to large datasets. To overcome this bottleneck, we propose an efficient operator learning algorithm based on Nyström subsampling that accommodates functional outputs. Under general source conditions characterized by index functions-extending beyond the classical Hölder-type and operator-monotone frameworks-we establish minimax-optimal convergence rates for the proposed estimator. As an application of the proposed framework, we consider function denoising problems. Unlike classical denoising methods, which are typically tailored to specific signal representations or noise models, our approach formulates denoising within a general operator learning framework. Numerical experiments on signal denoising, real-time audio denoising, image denoising, inverse Radon transform reconstruction, and energy-efficiency prediction confirm that the proposed method achieves performance comparable to full kernel methods while substantially reducing computational cost.

AI-assisted interviews promise to reduce respondent burden in surveys by allowing respondents to describe experiences naturally while an AI system noisily maps those accounts into structured survey variables. That mapping is a measurement process that is fallible, versioned, adaptive, and potentially behaves differently across subgroups. This paper proposes Adaptive Matrix Validation (AMV), a design in which each respondent completes an AI-assisted interview, which is then mapped into tabular data by the AI. Respondents are also asked a small, randomized set of structured questions, which are used for statistical adjustment. The estimator first calibrates the mapped values using validation answers from other respondents, then corrects the remaining error with the validation answers observed for the target respondent. The paper develops estimators for item means, subgroup estimates, and regression coefficients when outcomes, predictors, or both are mapped from interviews. It also gives planning formulas the number of validation questions required and the sample size. A design-calibration simulation, an American Time Use Survey emulation, and a CHAMPS verbal-autopsy narrative study show when sparse validation can improve precision and when it cannot

In this paper, we propose an optimally structured gradient coding scheme to mitigate the straggler problem in distributed learning. Conventional gradient coding methods often assume homogeneous straggler models or rely on excessive data replication, limiting performance in real-world heterogeneous systems. To address these limitations, we formulate an optimization problem minimizing residual error while ensuring unbiased gradient estimation by explicitly considering individual straggler probabilities. We derive closed-form solutions for optimal encoding and decoding coefficients via Lagrangian duality and convex optimization, and propose data allocation strategies that reduce both redundancy and computation load. We also analyze convergence behavior for λ-strongly convex and µ-smooth loss functions. Numerical results show that our approach significantly reduces the impact of stragglers and accelerates convergence compared to existing methods.