Goto

Collaborating Authors

 Country


Enhancing diffusion models with Gaussianization preprocessing

arXiv.org Machine Learning

Diffusion models (Sohl-Dickstein et al., 2015; Ho et al., 2020; Song et al., 2020) have emerged as one of the most powerful classes of generative models for high-dimensional data, achieving state-of-the-art performance in image synthesis (Dhariwal and Nichol, 2021; Rombach et al., 2022) and other tasks such as action generation in robotic or protein design (Watson et al., 2023; Chi et al., 2025). However, sampling from these models is typically slow: many reverse-time steps are required to transform an initial Gaussian sample into a high-quality sample in data space (Ho et al., 2020; Song et al., 2020). This computational cost is especially problematic, and it restricts the practical deployment of diffusion models in real-time or resource-constrained settings (Salimans and Ho, 2022; Lu et al., 2022). Recent theoretical and empirical studies suggest that this inefficiency is closely related to a dynamical phase transition (bifurcation) that occurs during the reverse process (Raya and Ambrogioni, 2024; Biroli et al., 2024; Ambrogioni, 2025). In the early reverse steps, the trajectories stay near a stable fixed point whose distribution is close to the initial independent Gaussian, and little structure is present in the samples.


Learning from Neighbors with PHIBP: Predicting Infectious Disease Dynamics in Data-Sparse Environments

arXiv.org Machine Learning

Modeling sparse count data, which arise across numerous scientific fields, presents significant statistical challenges. This chapter addresses these challenges in the context of infectious disease prediction, with a focus on predicting outbreaks in geographic regions that have historically reported zero cases. To this end, we present the detailed computational framework and experimental application of the Poisson Hierarchical Indian Buffet Process (PHIBP), with demonstrated success in handling sparse count data in microbiome and ecological studies. The PHIBP's architecture, grounded in the concept of absolute abundance, systematically borrows statistical strength from related regions and circumvents the known sensitivities of relative-rate methods to zero counts. Through a series of experiments on infectious disease data, we show that this principled approach provides a robust foundation for generating coherent predictive distributions and for the effective use of comparative measures such as alpha and beta diversity. The chapter's emphasis on algorithmic implementation and experimental results confirms that this unified framework delivers both accurate outbreak predictions and meaningful epidemiological insights in data-sparse settings.


Invariant Feature Extraction Through Conditional Independence and the Optimal Transport Barycenter Problem: the Gaussian case

arXiv.org Machine Learning

A methodology is developed to extract $d$ invariant features $W=f(X)$ that predict a response variable $Y$ without being confounded by variables $Z$ that may influence both $X$ and $Y$. The methodology's main ingredient is the penalization of any statistical dependence between $W$ and $Z$ conditioned on $Y$, replaced by the more readily implementable plain independence between $W$ and the random variable $Z_Y = T(Z,Y)$ that solves the [Monge] Optimal Transport Barycenter Problem for $Z\mid Y$. In the Gaussian case considered in this article, the two statements are equivalent. When the true confounders $Z$ are unknown, other measurable contextual variables $S$ can be used as surrogates, a replacement that involves no relaxation in the Gaussian case if the covariance matrix $Σ_{ZS}$ has full range. The resulting linear feature extractor adopts a closed form in terms of the first $d$ eigenvectors of a known matrix. The procedure extends with little change to more general, non-Gaussian / non-linear cases.


Weighted MCC: A Robust Measure of Multiclass Classifier Performance for Observations with Individual Weights

arXiv.org Machine Learning

Several performance measures are used to evaluate binary and multiclass classification tasks. But individual observations may often have distinct weights, and none of these measures are sensitive to such varying weights. We propose a new weighted Pearson-Matthews Correlation Coefficient (MCC) for binary classification as well as weighted versions of related multiclass measures. The weighted MCC varies between $-1$ and $1$. But crucially, the weighted MCC values are higher for classifiers that perform better on highly weighted observations, and hence is able to distinguish them from classifiers that have a similar overall performance and ones that perform better on the lowly weighted observations. Furthermore, we prove that the weighted measures are robust with respect to the choice of weights in a precise manner: if the weights are changed by at most $ε$, the value of the weighted measure changes at most by a factor of $ε$ in the binary case and by a factor of $ε^2$ in the multiclass case. Our computations demonstrate that the weighted measures clearly identify classifiers that perform better on higher weighted observations, while the unweighted measures remain completely indifferent to the choices of weights.


Subgroup Discovery with the Cox Model

arXiv.org Machine Learning

We study the problem of subgroup discovery for survival analysis, where the goal is to find an interpretable subset of the data on which a Cox model is highly accurate. Our work is the first to study this particular subgroup problem, for which we make several contributions. Subgroup discovery methods generally require a "quality function" in order to sift through and select the most advantageous subgroups. We first examine why existing natural choices for quality functions are insufficient to solve the subgroup discovery problem for the Cox model. To address the shortcomings of existing metrics, we introduce two technical innovations: the *expected prediction entropy (EPE)*, a novel metric for evaluating survival models which predict a hazard function; and the *conditional rank statistics (CRS)*, a statistical object which quantifies the deviation of an individual point to the distribution of survival times in an existing subgroup. We study the EPE and CRS theoretically and show that they can solve many of the problems with existing metrics. We introduce a total of eight algorithms for the Cox subgroup discovery problem. The main algorithm is able to take advantage of both the EPE and the CRS, allowing us to give theoretical correctness results for this algorithm in a well-specified setting. We evaluate all of the proposed methods empirically on both synthetic and real data. The experiments confirm our theory, showing that our contributions allow for the recovery of a ground-truth subgroup in well-specified cases, as well as leading to better model fit compared to naively fitting the Cox model to the whole dataset in practical settings. Lastly, we conduct a case study on jet engine simulation data from NASA. The discovered subgroups uncover known nonlinearities/homogeneity in the data, and which suggest design choices which have been mirrored in practice.


Fast and Exact Least Absolute Deviations Line Fitting via Piecewise Affine Lower-Bounding

arXiv.org Machine Learning

Least-absolute-deviations (LAD) line fitting is robust to outliers but computationally more involved than least squares regression. Although the literature includes linear and near-linear time algorithms for the LAD line fitting problem, these methods are difficult to implement and, to our knowledge, lack maintained public implementations. As a result, practitioners often resort to linear programming (LP) based methods such as the simplex-based Barrodale-Roberts method and interior-point methods, or on iteratively reweighted least squares (IRLS) approximation which does not guarantee exact solutions. To close this gap, we propose the Piecewise Affine Lower-Bounding (PALB) method, an exact algorithm for LAD line fitting. PALB uses supporting lines derived from subgradients to build piecewise-affine lower bounds, and employs a subdivision scheme involving minima of these lower bounds. We prove correctness and provide bounds on the number of iterations. On synthetic datasets with varied signal types and noise including heavy-tailed outliers as well as a real dataset from the NOAA's Integrated Surface Database, PALB exhibits empirical log-linear scaling. It is consistently faster than publicly available implementations of LP based and IRLS based solvers. We provide a reference implementation written in Rust with a Python API.


Random Gradient-Free Optimization in Infinite Dimensional Spaces

arXiv.org Machine Learning

In this paper, we propose a random gradient-free method for optimization in infinite dimensional Hilbert spaces, applicable to functional optimization in diverse settings. Though such problems are often solved through finite-dimensional gradient descent over a parametrization of the functions, such as neural networks, an interesting alternative is to instead perform gradient descent directly in the function space by leveraging its Hilbert space structure, thus enabling provable guarantees and fast convergence. However, infinite-dimensional gradients are often hard to compute in practice, hindering the applicability of such methods. To overcome this limitation, our framework requires only the computation of directional derivatives and a pre-basis for the Hilbert space domain, i.e., a linearly-independent set whose span is dense in the Hilbert space. This fully resolves the tractability issue, as pre-bases are much more easily obtained than full orthonormal bases or reproducing kernels -- which may not even exist -- and individual directional derivatives can be easily computed using forward-mode scalar automatic differentiation. We showcase the use of our method to solve partial differential equations à la physics informed neural networks (PINNs), where it effectively enables provable convergence.


AI-Augmented Pollen Recognition in Optical and Holographic Microscopy for Veterinary Imaging

arXiv.org Machine Learning

We present a comprehensive study on fully automated pollen recognition across both conventional optical and digital in-line holographic microscopy (DIHM) images of sample slides. Visually recognizing pollen in unreconstructed holographic images remains challenging due to speckle noise, twin-image artifacts and substantial divergence from bright-field appearances. We establish the performance baseline by training YOLOv8s for object detection and MobileNetV3L for classification on a dual-modality dataset of automatically annotated optical and affinely aligned DIHM images. On optical data, detection mAP50 reaches 91.3% and classification accuracy reaches 97%, whereas on DIHM data, we achieve only 8.15% for detection mAP50 and 50% for classification accuracy. Expanding the bounding boxes of pollens in DIHM images over those acquired in aligned optical images achieves 13.3% for detection mAP50 and 54% for classification accuracy. To improve object detection in DIHM images, we employ a Wasserstein GAN with spectral normalization (WGAN-SN) to create synthetic DIHM images, yielding an FID score of 58.246. Mixing real-world and synthetic data at the 1.0 : 1.5 ratio for DIHM images improves object detection up to 15.4%. These results demonstrate that GAN-based augmentation can reduce the performance divide, bringing fully automated DIHM workflows for veterinary imaging a small but important step closer to practice.


Implicitly learning to reason in first-order logic

Neural Information Processing Systems

We consider the problem of answering queries about formulas of first-order logic based on background knowledge partially represented explicitly as other formulas, and partially represented as examples independently drawn from a fixed probability distribution. PAC semantics, introduced by Valiant, is one rigorous, general proposal for learning to reason in formal languages: although weaker than classical entailment, it allows for a powerful model theoretic framework for answering queries while requiring minimal assumptions about the form of the distribution in question. To date, however, the most significant limitation of that approach, and more generally most machine learning approaches with robustness guarantees, is that the logical language is ultimately essentially propositional, with finitely many atoms. Indeed, the theoretical findings on the learning of relational theories in such generality have been resoundingly negative. This is despite the fact that first-order logic is widely argued to be most appropriate for representing human knowledge. In this work, we present a new theoretical approach to robustly learning to reason in first-order logic, and consider universally quantified clauses over a countably infinite domain. Our results exploit symmetries exhibited by constants in the language, and generalize the notion of implicit learnability to show how queries can be computed against (implicitly) learned first-order background knowledge.


Fit for our purpose, not yours: Benchmark for a low-resource, Indigenous language

Neural Information Processing Systems

Influential and popular benchmarks in AI are largely irrelevant to developing NLP tools for low-resource, Indigenous languages. With the primary goal of measuring the performance of general-purpose AI systems, these benchmarks fail to give due consideration and care to individual language communities, especially low-resource languages. The datasets contain numerous grammatical and orthographic errors, poor pronunciation, limited vocabulary, and the content lacks cultural relevance to the language community. To overcome the issues with these benchmarks, we have created a dataset for te reo Māori (the Indigenous language of Aotearoa/New Zealand) to pursue NLP tools that are'fit-for-our-purpose'. This paper demonstrates how low-resourced, Indigenous languages can develop tailored, high-quality benchmarks that; i. Consider the impact of colonisation on their language; ii.