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 Learning Graphical Models


Network reconstruction via the minimum description length principle

arXiv.org Machine Learning

A fundamental problem associated with the task of network reconstruction from dynamical or behavioral data consists in determining the most appropriate model complexity in a manner that prevents overfitting, and produces an inferred network with a statistically justifiable number of edges. The status quo in this context is based on $L_{1}$ regularization combined with cross-validation. However, besides its high computational cost, this commonplace approach unnecessarily ties the promotion of sparsity with weight "shrinkage". This combination forces a trade-off between the bias introduced by shrinkage and the network sparsity, which often results in substantial overfitting even after cross-validation. In this work, we propose an alternative nonparametric regularization scheme based on hierarchical Bayesian inference and weight quantization, which does not rely on weight shrinkage to promote sparsity. Our approach follows the minimum description length (MDL) principle, and uncovers the weight distribution that allows for the most compression of the data, thus avoiding overfitting without requiring cross-validation. The latter property renders our approach substantially faster to employ, as it requires a single fit to the complete data. As a result, we have a principled and efficient inference scheme that can be used with a large variety of generative models, without requiring the number of edges to be known in advance. We also demonstrate that our scheme yields systematically increased accuracy in the reconstruction of both artificial and empirical networks. We highlight the use of our method with the reconstruction of interaction networks between microbial communities from large-scale abundance samples involving in the order of $10^{4}$ to $10^{5}$ species, and demonstrate how the inferred model can be used to predict the outcome of interventions in the system.


Scalable Vertical Federated Learning via Data Augmentation and Amortized Inference

arXiv.org Machine Learning

Vertical federated learning (VFL) has emerged as a paradigm for collaborative model estimation across multiple clients, each holding a distinct set of covariates. This paper introduces the first comprehensive framework for fitting Bayesian models in the VFL setting. We propose a novel approach that leverages data augmentation techniques to transform VFL problems into a form compatible with existing Bayesian federated learning algorithms. We present an innovative model formulation for specific VFL scenarios where the joint likelihood factorizes into a product of client-specific likelihoods. To mitigate the dimensionality challenge posed by data augmentation, which scales with the number of observations and clients, we develop a factorized amortized variational approximation that achieves scalability independent of the number of observations. We showcase the efficacy of our framework through extensive numerical experiments on logistic regression, multilevel regression, and a novel hierarchical Bayesian split neural net model. Our work paves the way for privacy-preserving, decentralized Bayesian inference in vertically partitioned data scenarios, opening up new avenues for research and applications in various domains.


A review on data-driven constitutive laws for solids

arXiv.org Artificial Intelligence

This review article highlights state-of-the-art data-driven techniques to discover, encode, surrogate, or emulate constitutive laws that describe the path-independent and path-dependent response of solids. Our objective is to provide an organized taxonomy to a large spectrum of methodologies developed in the past decades and to discuss the benefits and drawbacks of the various techniques for interpreting and forecasting mechanics behavior across different scales. Distinguishing between machine-learning-based and model-free methods, we further categorize approaches based on their interpretability and on their learning process/type of required data, while discussing the key problems of generalization and trustworthiness. We attempt to provide a road map of how these can be reconciled in a data-availability-aware context. We also touch upon relevant aspects such as data sampling techniques, design of experiments, verification, and validation.


Artificial Intelligence in the Autonomous Navigation of Endovascular Interventions: A Systematic Review

arXiv.org Artificial Intelligence

Purpose: Autonomous navigation of devices in endovascular interventions can decrease operation times, improve decision-making during surgery, and reduce operator radiation exposure while increasing access to treatment. This systematic review explores recent literature to assess the impact, challenges, and opportunities artificial intelligence (AI) has for the autonomous endovascular intervention navigation. Methods: PubMed and IEEEXplore databases were queried. Eligibility criteria included studies investigating the use of AI in enabling the autonomous navigation of catheters/guidewires in endovascular interventions. Following PRISMA, articles were assessed using QUADAS-2. PROSPERO: CRD42023392259. Results: Among 462 studies, fourteen met inclusion criteria. Reinforcement learning (9/14, 64%) and learning from demonstration (7/14, 50%) were used as data-driven models for autonomous navigation. Studies predominantly utilised physical phantoms (10/14, 71%) and in silico (4/14, 29%) models. Experiments within or around the blood vessels of the heart were reported by the majority of studies (10/14, 71%), while simple non-anatomical vessel platforms were used in three studies (3/14, 21%), and the porcine liver venous system in one study. We observed that risk of bias and poor generalisability were present across studies. No procedures were performed on patients in any of the studies reviewed. Studies lacked patient selection criteria, reference standards, and reproducibility, resulting in low clinical evidence levels. Conclusions: AI's potential in autonomous endovascular navigation is promising, but in an experimental proof-of-concept stage, with a technology readiness level of 3. We highlight that reference standards with well-identified performance metrics are crucial to allow for comparisons of data-driven algorithms proposed in the years to come.


MEET: Mixture of Experts Extra Tree-Based sEMG Hand Gesture Identification

arXiv.org Artificial Intelligence

Artificial intelligence (AI) has made significant advances in recent years and opened up new possibilities in exploring applications in various fields such as biomedical, robotics, education, industry, etc. Among these fields, human hand gesture recognition is a subject of study that has recently emerged as a research interest in robotic hand control using electromyography (EMG). Surface electromyography (sEMG) is a primary technique used in EMG, which is popular due to its non-invasive nature and is used to capture gesture movements using signal acquisition devices placed on the surface of the forearm. Moreover, these signals are pre-processed to extract significant handcrafted features through time and frequency domain analysis. These are helpful and act as input to machine learning (ML) models to identify hand gestures. However, handling multiple classes and biases are major limitations that can affect the performance of an ML model. Therefore, to address this issue, a new mixture of experts extra tree (MEET) model is proposed to identify more accurate and effective hand gesture movements. This model combines individual ML models referred to as experts, each focusing on a minimal class of two. Moreover, a fully trained model known as the gate is employed to weigh the output of individual expert models. This amalgamation of the expert models with the gate model is known as a mixture of experts extra tree (MEET) model. In this study, four subjects with six hand gesture movements have been considered and their identification is evaluated among eleven models, including the MEET classifier. Results elucidate that the MEET classifier performed best among other algorithms and identified hand gesture movement accurately.


Collaborative Intelligence in Sequential Experiments: A Human-in-the-Loop Framework for Drug Discovery

arXiv.org Artificial Intelligence

Drug discovery is a complex process that involves sequentially screening and examining a vast array of molecules to identify those with the target properties. This process, also referred to as sequential experimentation, faces challenges due to the vast search space, the rarity of target molecules, and constraints imposed by limited data and experimental budgets. To address these challenges, we introduce a human-in-the-loop framework for sequential experiments in drug discovery. This collaborative approach combines human expert knowledge with deep learning algorithms, enhancing the discovery of target molecules within a specified experimental budget. The proposed algorithm processes experimental data to recommend both promising molecules and those that could improve its performance to human experts. Human experts retain the final decision-making authority based on these recommendations and their domain expertise, including the ability to override algorithmic recommendations. We applied our method to drug discovery tasks using real-world data and found that it consistently outperforms all baseline methods, including those which rely solely on human or algorithmic input. This demonstrates the complementarity between human experts and the algorithm. Our results provide key insights into the levels of humans' domain knowledge, the importance of meta-knowledge, and effective work delegation strategies. Our findings suggest that such a framework can significantly accelerate the development of new vaccines and drugs by leveraging the best of both human and artificial intelligence.


Automated Computation of Therapies Using Failure Mode and Effects Analysis in the Medical Domain

arXiv.org Artificial Intelligence

Failure mode and effects analysis (FMEA) is a systematic approach to identify and analyse potential failures and their effects in a system or process. The FMEA approach, however, requires domain experts to manually analyse the FMEA model to derive risk-reducing actions that should be applied. In this paper, we provide a formal framework to allow for automatic planning and acting in FMEA models. More specifically, we cast the FMEA model into a Markov decision process which can then be solved by existing solvers. We show that the FMEA approach can not only be used to support medical experts during the modelling process but also to automatically derive optimal therapies for the treatment of patients.


The Role of Predictive Uncertainty and Diversity in Embodied AI and Robot Learning

arXiv.org Artificial Intelligence

Uncertainty has long been a critical area of study in robotics, particularly when robots are equipped with analytical models. As we move towards the widespread use of deep neural networks in robots, which have demonstrated remarkable performance in research settings, understanding the nuances of uncertainty becomes crucial for their real-world deployment. This guide offers an overview of the importance of uncertainty and provides methods to quantify and evaluate it from an applications perspective.


Gaussian Stochastic Weight Averaging for Bayesian Low-Rank Adaptation of Large Language Models

arXiv.org Artificial Intelligence

Fine-tuned Large Language Models (LLMs) often suffer from overconfidence and poor calibration, particularly when fine-tuned on small datasets. To address these challenges, we propose a simple combination of Low-Rank Adaptation (LoRA) with Gaussian Stochastic Weight Averaging (SWAG), facilitating approximate Bayesian inference in LLMs. Through extensive testing across several Natural Language Processing (NLP) benchmarks, we demonstrate that our straightforward and computationally efficient approach improves model generalization and calibration competitively with comparable, more sophisticated methods for Bayesian inference in LLMs. We further show that our method exhibits greater robustness against distribution shift, as reflected in its performance on out-of-distribution tasks.


Hierarchic Flows to Estimate and Sample High-dimensional Probabilities

arXiv.org Machine Learning

Finding low-dimensional interpretable models of complex physical fields such as turbulence remains an open question, 80 years after the pioneer work of Kolmogorov. Estimating high-dimensional probability distributions from data samples suffers from an optimization and an approximation curse of dimensionality. It may be avoided by following a hierarchic probability flow from coarse to fine scales. This inverse renormalization group is defined by conditional probabilities across scales, renormalized in a wavelet basis. For a $\varphi^4$ scalar potential, sampling these hierarchic models avoids the critical slowing down at the phase transition. An outstanding issue is to also approximate non-Gaussian fields having long-range interactions in space and across scales. We introduce low-dimensional models with robust multiscale approximations of high order polynomial energies. They are calculated with a second wavelet transform, which defines interactions over two hierarchies of scales. We estimate and sample these wavelet scattering models to generate 2D vorticity fields of turbulence, and images of dark matter densities.