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Subcritical Signal Propagation at Initialization in Normalization-Free Transformers

arXiv.org Machine Learning

We study signal propagation at initialization in transformers through the averaged partial Jacobian norm (APJN), a measure of gradient amplification across layers. We extend APJN analysis to transformers with bidirectional attention and permutation-symmetric input token configurations by deriving recurrence relations for activation statistics and APJNs across layers. Our theory predicts how attention modifies the asymptotic behavior of the APJN at large depth and matches APJNs measured in deep vision transformers. The criticality picture known from residual networks carries over to transformers: the pre-LayerNorm architecture exhibits power-law APJN growth, whereas transformers with LayerNorm replaced by elementwise $\tanh$-like nonlinearities have stretched-exponential APJN growth, indicating that the latter are subcritical. Applied to Dynamic Tanh (DyT) and Dynamic erf (Derf) transformers, the theory explains why these architectures can be more sensitive to initialization and optimization choices and require careful tuning for stable training.


A Large-Scale Comparative Analysis of Imputation Methods for Single-Cell RNA Sequencing Data

arXiv.org Machine Learning

Background: Single-cell RNA sequencing (scRNA-seq) enables gene expression profiling at cellular resolution but is inherently affected by sparsity caused by dropout events, where expressed genes are recorded as zeros due to technical limitations. These artifacts distort gene expression distributions and compromise downstream analyses. Numerous imputation methods have been proposed to recover latent transcriptional signals. These methods range from traditional statistical models to deep learning (DL)-based methods. However, their comparative performance remains unclear, as existing benchmarks evaluate only a limited subset of methods, datasets, and downstream analyses. Results: We present a comprehensive benchmark of 15 scRNA-seq imputation methods spanning 7 methodological categories, including traditional and DL-based methods. Methods are evaluated across 30 datasets from 10 experimental protocols on 6 downstream analyses. Results show that traditional methods, such as model-based, smoothing-based, and low-rank matrix-based methods, generally outperform DL-based methods, including diffusion-based, GAN-based, GNN-based, and autoencoder-based methods. In addition, strong performance in numerical gene expression recovery does not necessarily translate into improved biological interpretability in downstream analyses, including cell clustering, differential expression analysis, marker gene analysis, trajectory analysis, and cell type annotation. Furthermore, method performance varies substantially across datasets, protocols, and downstream analyses, with no single method consistently outperforming others. Conclusions: Our findings provide practical guidance for selecting imputation methods tailored to specific analytical objectives and underscore the importance of task-specific evaluation when assessing imputation performance in scRNA-seq data analysis.


Obtaining Partition Crossover masks using Statistical Linkage Learning for solving noised optimization problems with hidden variable dependency structure

arXiv.org Machine Learning

In optimization problems, some variable subsets may have a joint non-linear or non-monotonical influence on the function value. Therefore, knowledge of variable dependencies may be crucial for effective optimization, and many state-of-the-art optimizers leverage it to improve performance. However, some real-world problem instances may be the subject of noise of various origins. In such a case, variable dependencies relevant to optimization may be hard or impossible to tell using dependency checks sufficient for problems without noise, making highly effective operators, e.g., Partition Crossover (PX), useless. Therefore, we use Statistical Linkage Learning (SLL) to decompose problems with noise and propose a new SLL-dedicated mask construction algorithm. We prove that if the quality of the SLL-based decomposition is sufficiently high, the proposed clustering algorithm yields masks equivalent to PX masks for the noise-free instances. The experiments show that the optimizer using the proposed mechanisms remains equally effective despite the noise level and outperforms state-of-the-art optimizers for the problems with high noise.


Experimental Design for Missing Physics

arXiv.org Machine Learning

For most process systems, knowledge of the model structure is incomplete. This missing physics must then be learned from experimental data. Recently, a combination of universal differential equations and symbolic regression has become a popular tool to discover these missing physics. Universal differential equations employ neural networks to represent missing parts of the model structure, and symbolic regression aims to make these neural networks interpretable. These machine learning techniques require high-quality data to successfully recover the true model structure. To gather such informative data, a sequential experimental design technique is developed which is based on optimally discriminating between the plausible model structures suggested by symbolic regression. This technique is then applied to discovering the missing physics of a bioreactor.


An Optimal Sauer Lemma Over $k$-ary Alphabets

arXiv.org Machine Learning

The Sauer-Shelah-Perles Lemma is a cornerstone of combinatorics and learning theory, bounding the size of a binary hypothesis class in terms of its Vapnik-Chervonenkis (VC) dimension. For classes of functions over a $k$-ary alphabet, namely the multiclass setting, the Natarajan dimension has long served as an analogue of VC dimension, yet the corresponding Sauer-type bounds are suboptimal for alphabet sizes $k>2$. In this work, we establish a sharp Sauer inequality for multiclass and list prediction. Our bound is expressed in terms of the Daniely--Shalev-Shwartz (DS) dimension, and more generally with its extension, the list-DS dimension -- the combinatorial parameters that characterize multiclass and list PAC learnability. Our bound is tight for every alphabet size $k$, list size $\ell$, and dimension value, replacing the exponential dependence on $\ell$ in the Natarajan-based bound by the optimal polynomial dependence, and improving the dependence on $k$ as well. Our proof uses the polynomial method. In contrast to the classical VC case, where several direct combinatorial proofs are known, we are not aware of any purely combinatorial proof in the DS setting. This motivates several directions for future research, which are discussed in the paper. As consequences, we obtain improved sample complexity upper bounds for list PAC learning and for uniform convergence of list predictors, sharpening the recent results of Charikar et al.~(STOC~2023), Hanneke et al.~(COLT~2024), and Brukhim et al.~(NeurIPS~2024).


MCAnalysis: An Open-Source Package for Preprocessing, Modelling, and Visualisation of Menstrual Cycle Effects in Digital Health Data

arXiv.org Machine Learning

Digital Health Technologies (DHTs) including consumer wearable devices and digital health applications offer an opportunity for continuous, large-scale data collection. Wearables give insight into physiological biomarkers that help us understand the human body, through passive data collection. Such data can be collected at a regularity that would be impossible otherwise. Digital health applications provide the chance to collect diverse types of data from clinically validated surveys, GPS, and contextual inputs. This combination has the ability to make profound advances in our understanding of the factors that affect individuals on a personal and population level [Grace et al., 2025]. One of these factors is the menstrual cycle. Particularly because of its inter-individual variability, studying it requires large sample sizes, and to truly grasp its effects on the human body, it needs to be observed on a near-daily scale [Bull et al., 2019].


Understanding and Improving Continuous Adversarial Training for LLMs via In-context Learning Theory

arXiv.org Machine Learning

Adversarial training (AT) is an effective defense for large language models (LLMs) against jailbreak attacks, but performing AT on LLMs is costly. To improve the efficiency of AT for LLMs, recent studies propose continuous AT (CAT) that searches for adversarial inputs within the continuous embedding space of LLMs during AT. While CAT has achieved empirical success, its underlying mechanism, i.e., why adversarial perturbations in the embedding space can help LLMs defend against jailbreak prompts synthesized in the input token space, remains unknown. This paper presents the first theoretical analysis of CAT on LLMs based on in-context learning (ICL) theory. For linear transformers trained with adversarial examples from the embedding space on in-context linear regression tasks, we prove a robust generalization bound that has a negative correlation with the perturbation radius in the embedding space. This clearly explains why CAT can defend against jailbreak prompts from the LLM's token space. Further, the robust bound shows that the robustness of an adversarially trained LLM is closely related to the singular values of its embedding matrix. Based on this, we propose to improve LLM CAT by introducing an additional regularization term, which depends on singular values of the LLM's embedding matrix, into the objective function of CAT. Experiments on real-world LLMs demonstrate that our method can help LLMs achieve a better jailbreak robustness-utility tradeoff. The code is available at https://github.com/fshp971/continuous-adv-icl.


A Nonparametric Adaptive EWMA Control Chart for Binary Monitoring of Multiple Stream Processes

arXiv.org Machine Learning

Monitoring binomial proportions across multiple independent streams is a critical challenge in Statistical Process Control (SPC), with applications from manufacturing to cybersecurity. While EWMA charts offer sensitivity to small shifts, existing implementations rely on asymptotic variance approximations that fail during early-phase monitoring. We introduce a Cumulative Standardized Binomial EWMA (CSB-EWMA) chart that overcomes this limitation by deriving the exact time-varying variance of the EWMA statistic for binary multiple-stream data, enabling adaptive control limits that ensure statistical rigor from the first sample. Through extensive simulations, we identify optimal smoothing (λ) and limit (L) parameters to achieve target in-control average run length (ARL0) of 370 and 500. The CSB-EWMA chart demonstrates rapid shift detection across both ARL0 targets, with out-of-control average run length (ARL1) dropping to 3-7 samples for moderate shifts (δ=0.2), and exhibits exceptional robustness across different data distributions, with low ARL1 Coefficients of Variation (CV < 0.10 for small shifts) for both ARL0 = 370 and 500. This work provides practitioners with a distribution-free, sensitive, and theoretically sound tool for early change detection in binomial multiple-stream processes.


Information-Geometric Decomposition of Generalization Error in Unsupervised Learning

arXiv.org Machine Learning

We decompose the Kullback--Leibler generalization error (GE) -- the expected KL divergence from the data distribution to the trained model -- of unsupervised learning into three non-negative components: model error, data bias, and variance. The decomposition is exact for any e-flat model class and follows from two identities of information geometry: the generalized Pythagorean theorem and a dual e-mixture variance identity. As an analytically tractable demonstration, we apply the framework to $ε$-PCA, a regularized principal component analysis in which the empirical covariance is truncated at rank $N_K$ and discarded directions are pinned at a fixed noise floor $ε$. Although rank-constrained $ε$-PCA is not itself e-flat, it admits a technical reformulation with the same total GE on isotropic Gaussian data, under which each component of the decomposition takes closed form. The optimal rank emerges as the cutoff $λ_{\mathrm{cut}}^{*} = ε$ -- the model retains exactly those empirical eigenvalues exceeding the noise floor -- with the cutoff reflecting a marginal-rate balance between model-error gain and data-bias cost. A boundary comparison further yields a three-regime phase diagram -- retain-all, interior, and collapse -- separated by the lower Marchenko--Pastur edge and an analytically computable collapse threshold $ε_{*}(α)$, where $α$ is the dimension-to-sample-size ratio. All claims are verified numerically.


Loop Corrections to the Training and Generalization Errors of Random Feature Models

arXiv.org Machine Learning

We investigate random feature models in which neural networks sampled from a prescribed initialization ensemble are frozen and used as random features, with only the readout weights optimized. Adopting a statistical-physics viewpoint, we study the training, test, and generalization errors beyond the mean-kernel approximation. Since the predictor is a nonlinear functional of the induced random kernel, the ensemble-averaged errors depend not only on the mean kernel but also on higher-order fluctuation statistics. Within an effective field-theoretic framework, these finite-width contributions naturally appear as loop corrections. We derive the loop corrections to the training, test, and generalization errors, obtain their scaling laws, and support the theory with experimental verification.