The stochastic simulation algorithm (SSA) and the corresponding Monte Carlo (MC) method are among the most common approaches for studying stochastic processes. They rely on knowledge of interevent probability density functions (PDFs) and on information about dependencies between all possible events. Analytical representations of a PDF are difficult to specify in advance, in many real life applications. Knowing the shapes of PDFs, and using experimental data, different optimization schemes can be applied in order to evaluate probability density functions and, therefore, the properties of the studied system. Such methods, however, are computationally demanding, and often not feasible. We show that, in the case where experimentally accessed properties are directly related to the frequencies of events involved, it may be possible to replace the heavy Monte Carlo core of optimization schemes with an analytical solution. Such a replacement not only provides a more accurate estimation of the properties of the process, but also reduces the simulation time by a factor of order of the sample size (at least $\approx 10^4$). The proposed analytical approach is valid for any choice of PDF. The accuracy, computational efficiency, and advantages of the method over MC procedures are demonstrated in the exactly solvable case and in the evaluation of branching fractions in controlled radical polymerization (CRP) of acrylic monomers. This polymerization can be modeled by a constrained stochastic process. Constrained systems are quite common, and this makes the method useful for various applications.
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Segmentation of fetal brain tissue from magnetic resonance imaging (MRI) plays a crucial role in the study of in utero neurodevelopment. However, automated tools face substantial domain shift challenges as they must be robust to highly heterogeneous clinical data, often limited in numbers and lacking annotations. Indeed, high variability of the fetal brain morphology, MRI acquisition parameters, and superresolution reconstruction (SR) algorithms adversely affect the model's performance when evaluated out-of-domain. In this work, we introduce FetalSynthSeg, a domain randomization method to segment fetal brain MRI, inspired by SynthSeg. Our results show that models trained solely on synthetic data outperform models trained on real data in out-ofdomain settings, validated on a 120-subject cross-domain dataset. Furthermore, we extend our evaluation to 40 subjects acquired using lowfield (0.55T) MRI and reconstructed with novel SR models, showcasing robustness across different magnetic field strengths and SR algorithms. Leveraging a generative synthetic approach, we tackle the domain shift problem in fetal brain MRI and offer compelling prospects for applications in fields with limited and highly heterogeneous data.
Multiple Instance Learning (MIL) is a weakly supervised paradigm that has been successfully applied to many different scientific areas and is particularly well suited to medical imaging. Probabilistic MIL methods, and more specifically Gaussian Processes (GPs), have achieved excellent results due to their high expressiveness and uncertainty quantification capabilities. One of the most successful GP-based MIL methods, VGPMIL, resorts to a variational bound to handle the intractability of the logistic function. Here, we formulate VGPMIL using P\'olya-Gamma random variables. This approach yields the same variational posterior approximations as the original VGPMIL, which is a consequence of the two representations that the Hyperbolic Secant distribution admits. This leads us to propose a general GP-based MIL method that takes different forms by simply leveraging distributions other than the Hyperbolic Secant one. Using the Gamma distribution we arrive at a new approach that obtains competitive or superior predictive performance and efficiency. This is validated in a comprehensive experimental study including one synthetic MIL dataset, two well-known MIL benchmarks, and a real-world medical problem. We expect that this work provides useful ideas beyond MIL that can foster further research in the field.
We consider the problem of estimating log-determinants of large, sparse, positive definite matrices. A key focus of our algorithm is to reduce computational cost, and it is based on sparse approximate inverses. The algorithm can be implemented to be adaptive, and it uses graph spline approximation to improve accuracy. We illustrate our approach on classes of large sparse matrices.
Dynamical systems across the sciences, from electrical circuits to ecological networks, undergo qualitative and often catastrophic changes in behavior, called bifurcations, when their underlying parameters cross a threshold. Existing methods predict oncoming catastrophes in individual systems but are primarily time-series-based and struggle both to categorize qualitative dynamical regimes across diverse systems and to generalize to real data. To address this challenge, we propose a data-driven, physically-informed deep-learning framework for classifying dynamical regimes and characterizing bifurcation boundaries based on the extraction of topologically invariant features. We focus on the paradigmatic case of the supercritical Hopf bifurcation, which is used to model periodic dynamics across a wide range of applications. Our convolutional attention method is trained with data augmentations that encourage the learning of topological invariants which can be used to detect bifurcation boundaries in unseen systems and to design models of biological systems like oscillatory gene regulatory networks. We further demonstrate our method's use in analyzing real data by recovering distinct proliferation and differentiation dynamics along pancreatic endocrinogenesis trajectory in gene expression space based on single-cell data. Our method provides valuable insights into the qualitative, long-term behavior of a wide range of dynamical systems, and can detect bifurcations or catastrophic transitions in large-scale physical and biological systems.
We develop a new coarse-scale approximation strategy for the nonlinear single-continuum Richards equation as an unsaturated flow over heterogeneous non-periodic media, using the online generalized multiscale finite element method (online GMsFEM) together with deep learning. A novelty of this approach is that local online multiscale basis functions are computed rapidly and frequently by utilizing deep neural networks (DNNs). More precisely, we employ the training set of stochastic permeability realizations and the computed relating online multiscale basis functions to train neural networks. The nonlinear map between such permeability fields and online multiscale basis functions is developed by our proposed deep learning algorithm. That is, in a new way, the predicted online multiscale basis functions incorporate the nonlinearity treatment of the Richards equation and refect any time-dependent changes in the problem's properties. Multiple numerical experiments in two-dimensional model problems show the good performance of this technique, in terms of predictions of the online multiscale basis functions and thus finding solutions.
Homogeneous normalized random measures with independent increments (hNRMIs) represent a broad class of Bayesian nonparametric priors and thus are widely used. In this paper, we obtain the strong law of large numbers, the central limit theorem and the functional central limit theorem of hNRMIs when the concentration parameter $a$ approaches infinity. To quantify the convergence rate of the obtained central limit theorem, we further study the Berry-Esseen bound, which turns out to be of the form $O \left( \frac{1}{\sqrt{a}}\right)$. As an application of the central limit theorem, we present the functional delta method, which can be employed to obtain the limit of the quantile process of hNRMIs. As an illustration of the central limit theorems, we demonstrate the convergence numerically for the Dirichlet processes and the normalized inverse Gaussian processes with various choices of the concentration parameters.
In many communication contexts, the capabilities of the involved actors cannot be known beforehand, whether it is a cell, a plant, an insect, or even a life form unknown to Earth. Regardless of the recipient, the message space and time scale could be too fast, too slow, too large, or too small and may never be decoded. Therefore, it pays to devise a way to encode messages agnostic of space and time scales. We propose the use of fractal functions as self-executable infinite-frequency carriers for sending messages, given their properties of structural self-similarity and scale invariance. We call it `fractal messaging'. Starting from a spatial embedding, we introduce a framework for a space-time scale-free messaging approach to this challenge. When considering a space and time-agnostic framework for message transmission, it would be interesting to encode a message such that it could be decoded at several spatio-temporal scales. Hence, the core idea of the framework proposed herein is to encode a binary message as waves along infinitely many frequencies (in power-like distributions) and amplitudes, transmit such a message, and then decode and reproduce it. To do so, the components of the Weierstrass function, a known fractal, are used as carriers of the message. Each component will have its amplitude modulated to embed the binary stream, allowing for a space-time-agnostic approach to messaging.
In the realm of Federated Learning (FL) applied to remote sensing image classification, this study introduces and assesses several innovative communication strategies. Our exploration includes feature-centric communication, pseudo-weight amalgamation, and a combined method utilizing both weights and features. Experiments conducted on two public scene classification datasets unveil the effectiveness of these strategies, showcasing accelerated convergence, heightened privacy, and reduced network information exchange. This research provides valuable insights into the implications of feature-centric communication in FL, offering potential applications tailored for remote sensing scenarios.
Lattices are architected metamaterials whose properties strongly depend on their geometrical design. The analogy between lattices and graphs enables the use of graph neural networks (GNNs) as a faster surrogate model compared to traditional methods such as finite element modelling. In this work, we generate a big dataset of structure-property relationships for strut-based lattices. The dataset is made available to the community which can fuel the development of methods anchored in physical principles for the fitting of fourth-order tensors. In addition, we present a higher-order GNN model trained on this dataset. The key features of the model are (i) SE(3) equivariance, and (ii) consistency with the thermodynamic law of conservation of energy. We compare the model to non-equivariant models based on a number of error metrics and demonstrate its benefits in terms of predictive performance and reduced training requirements. Finally, we demonstrate an example application of the model to an architected material design task. The methods which we developed are applicable to fourth-order tensors beyond elasticity such as piezo-optical tensor etc.
Ever since the seminal work of R. A. Fisher and F. Yates, factorial designs have been an important experimental tool to simultaneously estimate the effects of multiple treatment factors. In factorial designs, the number of treatment combinations grows exponentially with the number of treatment factors, which motivates the forward selection strategy based on the sparsity, hierarchy, and heredity principles for factorial effects. Although this strategy is intuitive and has been widely used in practice, its rigorous statistical theory has not been formally established. To fill this gap, we establish design-based theory for forward factor selection in factorial designs based on the potential outcome framework. We not only prove a consistency property for the factor selection procedure but also discuss statistical inference after factor selection. In particular, with selection consistency, we quantify the advantages of forward selection based on asymptotic efficiency gain in estimating factorial effects. With inconsistent selection in higher-order interactions, we propose two strategies and investigate their impact on subsequent inference. Our formulation differs from the existing literature on variable selection and post-selection inference because our theory is based solely on the physical randomization of the factorial design and does not rely on a correctly specified outcome model.
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