Concept Activation Vectors (CAVs) are a fundamental tool for concept-based explainability in deep learning, yet their practical utility is limited by statistical instability. We analyze the stochastic nature of CAVs and the Testing with CAVs (TCAV) method, deriving the distributions of major CAV classes including PatternCAV, FastCAV, and ridge regression-based CAVs. We then identify a fundamental flaw in the standard TCAV score: its reliance on a discontinuous indicator function induces non-decaying variance in critical regimes. To address this, we introduce $α$-TCAV, a generalized framework that replaces the indicator with a parameterized smooth function, yielding a unified probabilistic formulation that subsumes both TCAV and Multi-TCAV. We characterize the induced distributions of sensitivity scores and different TCAV variants, showing that established state-of-the-art choices lack theoretical justification. We provide principled guidance on tuning the parameter in $α$-TCAV -- either to imitate Multi-TCAV at substantially lower computational cost, or to obtain a calibrated Bayes-optimal probabilistic measure of a concept's influence. Finally, our analysis yields practical recommendations that challenge established routines: most notably, allocating the full sampling budget to a single CAV rather than splitting it across several.

Zador's celebrated theorem is a cornerstone of optimal quantisation, establishing both the weak limit of the empirical distribution of an $n$-point optimal quantiser in $R^d$ and the decay rate of the associated $L_s$-mean quantisation error. However, for large dimensions $d$, observing this asymptotic behaviour demands an astronomically large sample size $n$, which grows super-exponentially with $d$. Through a detailed analysis of the quantisation problem for spherically symmetric distributions, we demonstrate that for moderate $n$ random quantisers uniformly distributed on a sphere of suitable radius $r$ achieve exceptional performance. The expected distortion, expressed as a triple integral, can be computed with arbitrary precision, and the optimal radius $r$ can be efficiently determined numerically. Leveraging results from extreme-value theory, we derive approximations for $r$, particularly in scenarios where $n$ scales with $d$. Depending on the growth rate of $n$, $r$ may either converge to zero or approach a limiting value that is independent of $s$.

Phylogenetic inference, grounded in molecular evolution models, is essential for understanding the evolutionary relationships in biological data. Accounting for the uncertainty of phylogenetic tree variables, which include tree topologies and evolutionary distances on branches, is crucial for accurately inferring species relationships from molecular data and tasks requiring variable marginalization. Variational Bayesian methods are key to developing scalable, practical models; however, it remains challenging to conduct phylogenetic inference without restricting the combinatorially vast number of possible tree topologies. In this work, we introduce a novel, fully differentiable formulation of phylogenetic inference that leverages a unique representation of topological distributions in continuous geometric spaces. Through practical considerations on design spaces and control variates for gradient estimations, our approach, GeoPhy, enables variational inference without limiting the topological candidates. In experiments using real benchmark datasets, GeoPhy significantly outperformed other approximate Bayesian methods that considered whole topologies.

A.1 Datasets We use two standardized few-shot image classification datasets. Mini-ImageNet: This dataset [58] is a subset of ImageNet [10] and consists of 64 classes for training, 16 for validation, and 20 for testing. There are 600 images per class, with images of size 84 84. Multiple versions of this dataset exist in the literature; we use the version by Ravi and Larochelle [43]. Tiered-ImageNet: A larger subset of ImageNet, Tiered-ImageNet [45] consists of 608 classes split into 351, 97, and 160 for training, validation, and testing, respectively.

Machine learning (ML) models have achieved strikingly high accuracies in spectroscopic classification tasks, often without a clear proof that those models used chemically meaningful features. Existing studies have linked these results to data preprocessing choices, noise sensitivity, and model complexity, but no unifying explanation is available so far. In this work, we show that these phenomena arise naturally from the intrinsic high dimensionality of spectral data. Using a theoretical analysis grounded in the Feldman-Hajek theorem and the concentration of measure, we show that even infinitesimal distributional differences, caused by noise, normalisation, or instrumental artefacts, may become perfectly separable in high-dimensional spaces. Through a series of specific experiments on synthetic and real fluorescence spectra, we illustrate how models can achieve near-perfect accuracy even when chemical distinctions are absent, and why feature-importance maps may highlight spectrally irrelevant regions. We provide a rigorous theoretical framework, confirm the effect experimentally, and conclude with practical recommendations for building and interpreting ML models in spectroscopy.

The multivariate normal density is a monotonic function of the distance to the mean, and its ellipsoidal shape is due to the underlying Euclidean metric. We suggest to replace this metric with a locally adaptive, smoothly changing (Riemannian) metric that favors regions of high local density. The resulting locally adaptive normal distribution (LAND) is a generalization of the normal distribution to the manifold setting, where data is assumed to lie near a potentially low-dimensional manifold embedded in R^D. The LAND is parametric, depending only on a mean and a covariance, and is the maximum entropy distribution under the given metric. The underlying metric is, however, non-parametric. We develop a maximum likelihood algorithm to infer the distribution parameters that relies on a combination of gradient descent and Monte Carlo integration. We further extend the LAND to mixture models, and provide the corresponding EM algorithm. We demonstrate the efficiency of the LAND to fit non-trivial probability distributions over both synthetic data, and EEG measurements of human sleep.

The underlyingmetricis,however,non-parametric.Wedevelopamaximumlikelihood algorithm to infer the distribution parameters that relies on a combination of gradient descent and Monte Carlo integration. We further extend the LAND to mixture models, andprovidethecorresponding EMalgorithm.