The No-U-Turn Sampler (NUTS) is the computational workhorse of modern Bayesian software libraries, yet its qualitative and quantitative convergence guarantees were established only recently. A significant gap remains in the theoretical comparison of its two main variants: NUTS-mul and NUTS-BPS, which use multinomial sampling and biased progressive sampling, respectively, for index selection. In this paper, we address this gap in three contributions. First, we derive the first necessary conditions for geometric ergodicity for both variants. Second, we establish the first sufficient conditions for geometric ergodicity and ergodicity for NUTS-mul. Third, we obtain the first mixing time result for NUTS-BPS on a standard Gaussian distribution. Our results show that NUTS-mul and NUTS-BPS exhibit nearly identical qualitative behavior, with geometric ergodicity depending on the tail properties of the target distribution. However, they differ quantitatively in their convergence rates. More precisely, when initialized in the typical set of the canonical Gaussian measure, the mixing times of both NUTS-mul and NUTS-BPS scale as $O(d^{1/4})$ up to logarithmic factors, where $d$ denotes the dimension. Nevertheless, the associated constants are strictly smaller for NUTS-BPS.

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.

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.

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.

We study offline-online reinforcement learning in linear mixture Markov decision processes (MDPs) under environment shift. In the offline phase, data are collected by an unknown behavior policy and may come from a mismatched environment, while in the online phase the learner interacts with the target environment. We propose an algorithm that adaptively leverages offline data. When the offline data are informative, either due to sufficient coverage or small environment shift, the algorithm provably improves over purely online learning. When the offline data are uninformative, it safely ignores them and matches the online-only performance. We establish regret upper bounds that explicitly characterize when offline data are beneficial, together with nearly matching lower bounds. Numerical experiments further corroborate our theoretical findings.

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.

The Energy Conserving Descent (ECD) algorithm was recently proposed (De Luca & Silverstein, 2022) as a global non-convex optimization method. Unlike gradient descent, appropriately configured ECD dynamics escape strict local minima and converge to a global minimum, making it appealing for machine learning optimization. We present the first analytical study of ECD, focusing on the one-dimensional setting for this first installment. We formalize a stochastic ECD dynamics (sECD) with energy-preserving noise, as well as a quantum analog of the ECD Hamiltonian (qECD), providing the foundation for a quantum algorithm through Hamiltonian simulation. For positive double-well objectives, we compute the expected hitting time from a local to the global minimum. We prove that both sECD and qECD yield exponential speedup over respective gradient descent baselines--stochastic gradient descent and its quantization. For objectives with tall barriers, qECD achieves a further speedup over sECD.

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).

Fine-tuning is a widely used strategy for adapting pre-trained models to new tasks, yet its methodology and theoretical properties in high-dimensional nonparametric settings with variable selection have not yet been developed. This paper introduces the fine-tuning factor augmented neural Lasso (FAN-Lasso), a transfer learning framework for high-dimensional nonparametric regression with variable selection that simultaneously handles covariate and posterior shifts. We use a low-rank factor structure to manage high-dimensional dependent covariates and propose a novel residual fine-tuning decomposition in which the target function is expressed as a transformation of a frozen source function and other variables to achieve transfer learning and nonparametric variable selection. This augmented feature from the source predictor allows for the transfer of knowledge to the target domain and reduces model complexity there. We derive minimax-optimal excess risk bounds for the fine-tuning FAN-Lasso, characterizing the precise conditions, in terms of relative sample sizes and function complexities, under which fine-tuning yields statistical acceleration over single-task learning. The proposed framework also provides a theoretical perspective on parameter-efficient fine-tuning methods. Extensive numerical experiments across diverse covariate- and posterior-shift scenarios demonstrate that the fine-tuning FAN-Lasso consistently outperforms standard baselines and achieves near-oracle performance even under severe target sample size constraints, empirically validating the derived rates.

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].