Relational machine learning programs like those developed in Inductive Logic Programming (ILP) offer several advantages: (1) The ability to model complex relationships amongst data instances; (2) The use of domain-specific relations during model construction; and (3) The models constructed are human-readable, which is often one step closer to being human-understandable. However, these ILP-like methods have not been able to capitalise fully on the rapid hardware, software and algorithmic developments fuelling current developments in deep neural networks. In this paper, we treat relational features as functions and use the notion of generalised composition of functions to derive complex functions from simpler ones. We formulate the notion of a set of $\text{M}$-simple features in a mode language $\text{M}$ and identify two composition operators ($\rho_1$ and $\rho_2$) from which all possible complex features can be derived. We use these results to implement a form of "explainable neural network" called Compositional Relational Machines, or CRMs, which are labelled directed-acyclic graphs. The vertex-label for any vertex $j$ in the CRM contains a feature-function $f_j$ and a continuous activation function $g_j$. If $j$ is a "non-input" vertex, then $f_j$ is the composition of features associated with vertices in the direct predecessors of $j$. Our focus is on CRMs in which input vertices (those without any direct predecessors) all have $\text{M}$-simple features in their vertex-labels. We provide a randomised procedure for constructing and learning such CRMs. Using a notion of explanations based on the compositional structure of features in a CRM, we provide empirical evidence on synthetic data of the ability to identify appropriate explanations; and demonstrate the use of CRMs as 'explanation machines' for black-box models that do not provide explanations for their predictions.
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A sequence of random variables is called exchangeable if its joint distribution is invariant under permutations. The original formulation of de Finetti's theorem says that any exchangeable sequence of $\{0,1\}$-valued random variables can be thought of as a mixture of independent and identically distributed sequences in a certain precise mathematical sense. Interpreting this statement from a convex analytic perspective, Hewitt and Savage obtained the same conclusion for more general state spaces under some topological conditions. The main contribution of this paper is in providing a new framework that explains the theorem purely as a consequence of the underlying distribution of the random variables, with no topological conditions (beyond Hausdorffness) on the state space being necessary if the distribution is Radon. We also show that it is consistent with the axioms of ZFC that de Finetti's theorem holds for all sequences of exchangeable random variables taking values in any complete metric space. The framework we use is based on nonstandard analysis. We have provided a self-contained introduction to nonstandard analysis as an appendix, thus rendering measure theoretic probability and point-set topology as the only prerequisites for this paper. Our introduction aims to develop some new ideologies that might be of interest to mathematicians, philosophers, and mathematics educators alike. Our technical tools come from nonstandard topological measure theory, in which a highlight is a new generalization of Prokhorov's theorem. Modulo such technical tools, our proof relies on properties of the empirical measures induced by hyperfinitely many identically distributed random variables -- a feature that allows us to establish de Finetti's theorem in the generality that we seek while still retaining the combinatorial intuition of proofs of simpler versions of de Finetti's theorem.
In this study, we focus on the development and implementation of a comprehensive ensemble of numerical time series forecasting models, collectively referred to as the Group of Numerical Time Series Prediction Model (G-NM). This inclusive set comprises traditional models such as Autoregressive Integrated Moving Average (ARIMA), Holt-Winters' method, and Support Vector Regression (SVR), in addition to modern neural network models including Recurrent Neural Network (RNN) and Long Short-Term Memory (LSTM). G-NM is explicitly constructed to augment our predictive capabilities related to patterns and trends inherent in complex natural phenomena. By utilizing time series data relevant to these events, G-NM facilitates the prediction of such phenomena over extended periods. The primary objective of this research is to both advance our understanding of such occurrences and to significantly enhance the accuracy of our forecasts. G-NM encapsulates both linear and non-linear dependencies, seasonalities, and trends present in time series data. Each of these models contributes distinct strengths, from ARIMA's resilience in handling linear trends and seasonality, SVR's proficiency in capturing non-linear patterns, to LSTM's adaptability in modeling various components of time series data. Through the exploitation of the G-NM potential, we strive to advance the state-of-the-art in large-scale time series forecasting models. We anticipate that this research will represent a significant stepping stone in our ongoing endeavor to comprehend and forecast the complex events that constitute the natural world.
Learning the graphical structure of Bayesian networks is key to describing data-generating mechanisms in many complex applications but poses considerable computational challenges. Observational data can only identify the equivalence class of the directed acyclic graph underlying a Bayesian network model, and a variety of methods exist to tackle the problem. Under certain assumptions, the popular PC algorithm can consistently recover the correct equivalence class by reverse-engineering the conditional independence (CI) relationships holding in the variable distribution. The dual PC algorithm is a novel scheme to carry out the CI tests within the PC algorithm by leveraging the inverse relationship between covariance and precision matrices. By exploiting block matrix inversions we can also perform tests on partial correlations of complementary (or dual) conditioning sets. The multiple CI tests of the dual PC algorithm proceed by first considering marginal and full-order CI relationships and progressively moving to central-order ones. Simulation studies show that the dual PC algorithm outperforms the classic PC algorithm both in terms of run time and in recovering the underlying network structure, even in the presence of deviations from Gaussianity. Additionally, we show that the dual PC algorithm applies for Gaussian copula models, and demonstrate its performance in that setting.
In epidemiological studies, the capture-recapture (CRC) method is a powerful tool that can be used to estimate the number of diseased cases or potentially disease prevalence based on data from overlapping surveillance systems. Estimators derived from log-linear models are widely applied by epidemiologists when analyzing CRC data. The popularity of the log-linear model framework is largely associated with its accessibility and the fact that interaction terms can allow for certain types of dependency among data streams. In this work, we shed new light on significant pitfalls associated with the log-linear model framework in the context of CRC using real data examples and simulation studies. First, we demonstrate that the log-linear model paradigm is highly exclusionary. That is, it can exclude, by design, many possible estimates that are potentially consistent with the observed data. Second, we clarify the ways in which regularly used model selection metrics (e.g., information criteria) are fundamentally deceiving in the effort to select a best model in this setting. By focusing attention on these important cautionary points and on the fundamental untestable dependency assumption made when fitting a log-linear model to CRC data, we hope to improve the quality of and transparency associated with subsequent surveillance-based CRC estimates of case counts.
How can we tell whether two neural networks are utilizing the same internal processes for a particular computation? This question is pertinent for multiple subfields of both neuroscience and machine learning, including neuroAI, mechanistic interpretability, and brain-machine interfaces. Standard approaches for comparing neural networks focus on the spatial geometry of latent states. Yet in recurrent networks, computations are implemented at the level of neural dynamics, which do not have a simple one-to-one mapping with geometry. To bridge this gap, we introduce a novel similarity metric that compares two systems at the level of their dynamics. Our method incorporates two components: Using recent advances in data-driven dynamical systems theory, we learn a high-dimensional linear system that accurately captures core features of the original nonlinear dynamics. Next, we compare these linear approximations via a novel extension of Procrustes Analysis that accounts for how vector fields change under orthogonal transformation. Via four case studies, we demonstrate that our method effectively identifies and distinguishes dynamic structure in recurrent neural networks (RNNs), whereas geometric methods fall short. We additionally show that our method can distinguish learning rules in an unsupervised manner. Our method therefore opens the door to novel data-driven analyses of the temporal structure of neural computation, and to more rigorous testing of RNNs as models of the brain.
Graph neural networks generalize conventional neural networks to graph-structured data and have received widespread attention due to their impressive representation ability. In spite of the remarkable achievements, the performance of Euclidean models in graph-related learning is still bounded and limited by the representation ability of Euclidean geometry, especially for datasets with highly non-Euclidean latent anatomy. Recently, hyperbolic space has gained increasing popularity in processing graph data with tree-like structure and power-law distribution, owing to its exponential growth property. In this survey, we comprehensively revisit the technical details of the current hyperbolic graph neural networks, unifying them into a general framework and summarizing the variants of each component. More importantly, we present various HGNN-related applications. Last, we also identify several challenges, which potentially serve as guidelines for further flourishing the achievements of graph learning in hyperbolic spaces.
Deep neural networks (DNNs) have become a proven and indispensable machine learning tool. As a black-box model, it remains difficult to diagnose what aspects of the model's input drive the decisions of a DNN. In countless real-world domains, from legislation and law enforcement to healthcare, such diagnosis is essential to ensure that DNN decisions are driven by aspects appropriate in the context of its use. The development of methods and studies enabling the explanation of a DNN's decisions has thus blossomed into an active, broad area of research. A practitioner wanting to study explainable deep learning may be intimidated by the plethora of orthogonal directions the field has taken. This complexity is further exacerbated by competing definitions of what it means ``to explain'' the actions of a DNN and to evaluate an approach's ``ability to explain''. This article offers a field guide to explore the space of explainable deep learning aimed at those uninitiated in the field. The field guide: i) Introduces three simple dimensions defining the space of foundational methods that contribute to explainable deep learning, ii) discusses the evaluations for model explanations, iii) places explainability in the context of other related deep learning research areas, and iv) finally elaborates on user-oriented explanation designing and potential future directions on explainable deep learning. We hope the guide is used as an easy-to-digest starting point for those just embarking on research in this field.
This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.
This paper focuses on the expected difference in borrower's repayment when there is a change in the lender's credit decisions. Classical estimators overlook the confounding effects and hence the estimation error can be magnificent. As such, we propose another approach to construct the estimators such that the error can be greatly reduced. The proposed estimators are shown to be unbiased, consistent, and robust through a combination of theoretical analysis and numerical testing. Moreover, we compare the power of estimating the causal quantities between the classical estimators and the proposed estimators. The comparison is tested across a wide range of models, including linear regression models, tree-based models, and neural network-based models, under different simulated datasets that exhibit different levels of causality, different degrees of nonlinearity, and different distributional properties. Most importantly, we apply our approaches to a large observational dataset provided by a global technology firm that operates in both the e-commerce and the lending business. We find that the relative reduction of estimation error is strikingly substantial if the causal effects are accounted for correctly.
Predictions obtained by, e.g., artificial neural networks have a high accuracy but humans often perceive the models as black boxes. Insights about the decision making are mostly opaque for humans. Particularly understanding the decision making in highly sensitive areas such as healthcare or fifinance, is of paramount importance. The decision-making behind the black boxes requires it to be more transparent, accountable, and understandable for humans. This survey paper provides essential definitions, an overview of the different principles and methodologies of explainable Supervised Machine Learning (SML). We conduct a state-of-the-art survey that reviews past and recent explainable SML approaches and classifies them according to the introduced definitions. Finally, we illustrate principles by means of an explanatory case study and discuss important future directions.
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