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 Uncertainty


Improving Trainability of Variational Quantum Circuits via Regularization Strategies

arXiv.org Artificial Intelligence

In the era of noisy intermediate-scale quantum (NISQ), variational quantum circuits (VQCs) have been widely applied in various domains, advancing the superiority of quantum circuits against classic models. Similar to classic models, regular VQCs can be optimized by various gradient-based methods. However, the optimization may be initially trapped in barren plateaus or eventually entangled in saddle points during training. These gradient issues can significantly undermine the trainability of VQC. In this work, we propose a strategy that regularizes model parameters with prior knowledge of the train data and Gaussian noise diffusion. We conduct ablation studies to verify the effectiveness of our strategy across four public datasets and demonstrate that our method can improve the trainability of VQCs against the above-mentioned gradient issues.


Causal Evaluation of Language Models

arXiv.org Artificial Intelligence

Causal reasoning is viewed as crucial for achieving human-level machine intelligence. Recent advances in language models have expanded the horizons of artificial intelligence across various domains, sparking inquiries into their potential for causal reasoning. In this work, we introduce Causal evaluation of Language Models (CaLM), which, to the best of our knowledge, is the first comprehensive benchmark for evaluating the causal reasoning capabilities of language models. First, we propose the CaLM framework, which establishes a foundational taxonomy consisting of four modules: causal target (i.e., what to evaluate), adaptation (i.e., how to obtain the results), metric (i.e., how to measure the results), and error (i.e., how to analyze the bad results). This taxonomy defines a broad evaluation design space while systematically selecting criteria and priorities. Second, we compose the CaLM dataset, comprising 126,334 data samples, to provide curated sets of causal targets, adaptations, metrics, and errors, offering extensive coverage for diverse research pursuits. Third, we conduct an extensive evaluation of 28 leading language models on a core set of 92 causal targets, 9 adaptations, 7 metrics, and 12 error types. Fourth, we perform detailed analyses of the evaluation results across various dimensions (e.g., adaptation, scale). Fifth, we present 50 high-level empirical findings across 9 dimensions (e.g., model), providing valuable guidance for future language model development. Finally, we develop a multifaceted platform, including a website, leaderboards, datasets, and toolkits, to support scalable and adaptable assessments. We envision CaLM as an ever-evolving benchmark for the community, systematically updated with new causal targets, adaptations, models, metrics, and error types to reflect ongoing research advancements. Project website is at https://opencausalab.github.io/CaLM.


Fuzzy Intelligent System for Student Software Project Evaluation

arXiv.org Artificial Intelligence

Developing software projects allows students to put knowledge into practice and gain teamwork skills. However, assessing student performance in project-oriented courses poses significant challenges, particularly as the size of classes increases. The current paper introduces a fuzzy intelligent system designed to evaluate academic software projects using object-oriented programming and design course as an example. To establish evaluation criteria, we first conducted a survey of student project teams (n=31) and faculty (n=3) to identify key parameters and their applicable ranges. The selected criteria - clean code, use of inheritance, and functionality - were selected as essential for assessing the quality of academic software projects. These criteria were then represented as fuzzy variables with corresponding fuzzy sets. Collaborating with three experts, including one professor and two course instructors, we defined a set of fuzzy rules for a fuzzy inference system. This system processes the input criteria to produce a quantifiable measure of project success. The system demonstrated promising results in automating the evaluation of projects. Our approach standardizes project evaluations and helps to reduce the subjective bias in manual grading.


Variational Bayesian Methods for a Tree-Structured Stick-Breaking Process Mixture of Gaussians

arXiv.org Machine Learning

The Bayes coding algorithm for context tree source is a successful example of Bayesian tree estimation in text compression in information theory. This algorithm provides an efficient parametric representation of the posterior tree distribution and exact updating of its parameters. We apply this algorithm to a clustering task in machine learning. More specifically, we apply it to Bayesian estimation of the tree-structured stick-breaking process (TS-SBP) mixture models. For TS-SBP mixture models, only Markov chain Monte Carlo methods have been proposed so far, but any variational Bayesian methods have not been proposed yet. In this paper, we propose a variational Bayesian method that has a subroutine similar to the Bayes coding algorithm for context tree sources. We confirm its behavior by a numerical experiment on a toy example.


Complex contagions can outperform simple contagions for network reconstruction with dense networks or saturated dynamics

arXiv.org Machine Learning

Network scientists often use complex dynamic processes to describe network contagions, but tools for fitting contagion models typically assume simple dynamics. Here, we address this gap by developing a nonparametric method to reconstruct a network and dynamics from a series of node states, using a model that breaks the dichotomy between simple pairwise and complex neighborhood-based contagions. We then show that a network is more easily reconstructed when observed through the lens of complex contagions if it is dense or the dynamic saturates, and that simple contagions are better otherwise.


A Unified Theory of Exact Inference and Learning in Exponential Family Latent Variable Models

arXiv.org Artificial Intelligence

Bayes' rule describes how to infer posterior beliefs about latent variables given observations, and inference is a critical step in learning algorithms for latent variable models (LVMs). Although there are exact algorithms for inference and learning for certain LVMs such as linear Gaussian models and mixture models, researchers must typically develop approximate inference and learning algorithms when applying novel LVMs. In this paper we study the line that separates LVMs that rely on approximation schemes from those that do not, and develop a general theory of exponential family, latent variable models for which inference and learning may be implemented exactly. Firstly, under mild assumptions about the exponential family form of a given LVM, we derive necessary and sufficient conditions under which the LVM prior is in the same exponential family as its posterior, such that the prior is conjugate to the posterior. We show that all models that satisfy these conditions are constrained forms of a particular class of exponential family graphical model. We then derive general inference and learning algorithms, and demonstrate them on a variety of example models. Finally, we show how to compose our models into graphical models that retain tractable inference and learning. In addition to our theoretical work, we have implemented our algorithms in a collection of libraries with which we provide numerous demonstrations of our theory, and with which researchers may apply our theory in novel statistical settings.


The Role of $n$-gram Smoothing in the Age of Neural Networks

arXiv.org Artificial Intelligence

For nearly three decades, language models derived from the $n$-gram assumption held the state of the art on the task. The key to their success lay in the application of various smoothing techniques that served to combat overfitting. However, when neural language models toppled $n$-gram models as the best performers, $n$-gram smoothing techniques became less relevant. Indeed, it would hardly be an understatement to suggest that the line of inquiry into $n$-gram smoothing techniques became dormant. This paper re-opens the role classical $n$-gram smoothing techniques may play in the age of neural language models. First, we draw a formal equivalence between label smoothing, a popular regularization technique for neural language models, and add-$\lambda$ smoothing. Second, we derive a generalized framework for converting any $n$-gram smoothing technique into a regularizer compatible with neural language models. Our empirical results find that our novel regularizers are comparable to and, indeed, sometimes outperform label smoothing on language modeling and machine translation.


Bayesian Functional Connectivity and Graph Convolutional Network for Working Memory Load Classification

arXiv.org Artificial Intelligence

Brain responses related to working memory originate from distinct brain areas and oscillate at different frequencies. EEG signals with high temporal correlation can effectively capture these responses. Therefore, estimating the functional connectivity of EEG for working memory protocols in different frequency bands plays a significant role in analyzing the brain dynamics with increasing memory and cognitive loads, which remains largely unexplored. The present study introduces a Bayesian structure learning algorithm to learn the functional connectivity of EEG in sensor space. Next, the functional connectivity graphs are taken as input to the graph convolutional network to classify the working memory loads. The intrasubject (subject-specific) classification performed on 154 subjects for six different verbal working memory loads produced the highest classification accuracy of 96% and average classification accuracy of 89%, outperforming state-of-the-art classification models proposed in the literature. Furthermore, the proposed Bayesian structure learning algorithm is compared with state-of-the-art functional connectivity estimation methods through intersubject and intrasubject statistical analysis of variance. The results also show that the alpha and theta bands have better classification accuracy than the beta band.


BayesBlend: Easy Model Blending using Pseudo-Bayesian Model Averaging, Stacking and Hierarchical Stacking in Python

arXiv.org Machine Learning

Averaging predictions from multiple competing inferential models frequently outperforms predictions from any single model, providing that models are optimally weighted to maximize predictive performance. This is particularly the case in so-called $\mathcal{M}$-open settings where the true model is not in the set of candidate models, and may be neither mathematically reifiable nor known precisely. This practice of model averaging has a rich history in statistics and machine learning, and there are currently a number of methods to estimate the weights for constructing model-averaged predictive distributions. Nonetheless, there are few existing software packages that can estimate model weights from the full variety of methods available, and none that blend model predictions into a coherent predictive distribution according to the estimated weights. In this paper, we introduce the BayesBlend Python package, which provides a user-friendly programming interface to estimate weights and blend multiple (Bayesian) models' predictive distributions. BayesBlend implements pseudo-Bayesian model averaging, stacking and, uniquely, hierarchical Bayesian stacking to estimate model weights. We demonstrate the usage of BayesBlend with examples of insurance loss modeling.


Leveraging Active Subspaces to Capture Epistemic Model Uncertainty in Deep Generative Models for Molecular Design

arXiv.org Machine Learning

Deep generative models have been accelerating the inverse design process in material and drug design. Unlike their counterpart property predictors in typical molecular design frameworks, generative molecular design models have seen fewer efforts on uncertainty quantification (UQ) due to computational challenges in Bayesian inference posed by their large number of parameters. In this work, we focus on the junction-tree variational autoencoder (JT-VAE), a popular model for generative molecular design, and address this issue by leveraging the low dimensional active subspace to capture the uncertainty in the model parameters. Specifically, we approximate the posterior distribution over the active subspace parameters to estimate the epistemic model uncertainty in an extremely high dimensional parameter space. The proposed UQ scheme does not require alteration of the model architecture, making it readily applicable to any pre-trained model. Our experiments demonstrate the efficacy of the AS-based UQ and its potential impact on molecular optimization by exploring the model diversity under epistemic uncertainty.