Prior work introduced a gradient descent trained expert system that conceptually combines the learning capabilities of neural networks with the understandability and defensible logic of an expert system. This system was shown to be able to learn patterns from data and to perform decision-making at levels rivaling those reported by neural network systems. The principal limitation of the approach, though, was the necessity for the manual development of a rule-fact network (which is then trained using backpropagation). This paper proposes a technique for overcoming this significant limitation, as compared to neural networks. Specifically, this paper proposes the use of larger and denser-than-application need rule-fact networks which are trained, pruned, manually reviewed and then re-trained for use. Multiple types of networks are evaluated under multiple operating conditions and these results are presented and assessed. Based on these individual experimental condition assessments, the proposed technique is evaluated. The data presented shows that error rates as low as 3.9% (mean, 1.2% median) can be obtained, demonstrating the efficacy of this technique for many applications.

This accessible and engaging textbook presents a concise introduction to the exciting field of artificial intelligence (AI). The broad-ranging discussion covers the key subdisciplines within the field, describing practical algorithms and concrete applications in the areas of agents, logic, search, reasoning under uncertainty, machine learning, neural networks, and reinforcement learning. Fully revised and updated, this much-anticipated second edition also includes new material on deep learning.

Processing sets or other unordered, potentially variable-sized inputs in neural networks is usually handled by aggregating a number of input tensors into a single representation. While a number of aggregation methods already exist from simple sum pooling to multi-head attention, they are limited in their representational power both from theoretical and empirical perspectives. On the search of a principally more powerful aggregation strategy, we propose an optimization-based method called Equilibrium Aggregation. We show that many existing aggregation methods can be recovered as special cases of Equilibrium Aggregation and that it is provably more efficient in some important cases. Equilibrium Aggregation can be used as a drop-in replacement in many existing architectures and applications. We validate its efficiency on three different tasks: median estimation, class counting, and molecular property prediction. In all experiments, Equilibrium Aggregation achieves higher performance than the other aggregation techniques we test.

In recent decades, science and engineering have been revolutionized by a momentous growth in the amount of available data. However, despite the unprecedented ease with which data are now collected and stored, labeling data by supplementing each feature with an informative tag remains to be challenging. Illustrative tasks where the labeling process requires expert knowledge or is tedious and time-consuming include labeling X-rays with a diagnosis, protein sequences with a protein type, texts by their topic, tweets by their sentiment, or videos by their genre. In these and numerous other examples, only a few features may be manually labeled due to cost and time constraints. How can we best propagate label information from a small number of expensive labeled features to a vast number of unlabeled ones? This is the question addressed by semi-supervised learning (SSL). This article overviews recent foundational developments on graph-based Bayesian SSL, a probabilistic framework for label propagation using similarities between features. SSL is an active research area and a thorough review of the extant literature is beyond the scope of this article. Our focus will be on topics drawn from our own research that illustrate the wide range of mathematical tools and ideas that underlie the rigorous study of the statistical accuracy and computational efficiency of graph-based Bayesian SSL.

Recent years have witnessed an upsurge of interest in the problem of anomaly detection on attributed networks due to its importance in both research and practice. Although various approaches have been proposed to solve this problem, two major limitations exist: (1) unsupervised approaches usually work much less efficiently due to the lack of supervisory signal, and (2) existing anomaly detection methods only use local contextual information to detect anomalous nodes, e.g., one- or two-hop information, but ignore the global contextual information. Since anomalous nodes differ from normal nodes in structures and attributes, it is intuitive that the distance between anomalous nodes and their neighbors should be larger than that between normal nodes and their neighbors if we remove the edges connecting anomalous and normal nodes. Thus, hop counts based on both global and local contextual information can be served as the indicators of anomaly. Motivated by this intuition, we propose a hop-count based model (HCM) to detect anomalies by modeling both local and global contextual information. To make better use of hop counts for anomaly identification, we propose to use hop counts prediction as a self-supervised task. We design two anomaly scores based on the hop counts prediction via HCM model to identify anomalies. Besides, we employ Bayesian learning to train HCM model for capturing uncertainty in learned parameters and avoiding overfitting. Extensive experiments on real-world attributed networks demonstrate that our proposed model is effective in anomaly detection.

Bayesian structure learning allows one to capture uncertainty over the causal directed acyclic graph (DAG) responsible for generating given data. In this work, we present Tractable Uncertainty for STructure learning (TRUST), a framework for approximate posterior inference that relies on probabilistic circuits as the representation of our posterior belief. In contrast to sample-based posterior approximations, our representation can capture a much richer space of DAGs, while also being able to tractably reason about the uncertainty through a range of useful inference queries. We empirically show how probabilistic circuits can be used as an augmented representation for structure learning methods, leading to improvement in both the quality of inferred structures and posterior uncertainty. Experimental results on conditional query answering further demonstrate the practical utility of the representational capacity of TRUST.

Unsupervised and semi-supervised ML methods such as variational autoencoders (VAE) have become widely adopted across multiple areas of physics, chemistry, and materials sciences due to their capability in disentangling representations and ability to find latent manifolds for classification and regression of complex experimental data. Like other ML problems, VAEs require hyperparameter tuning, e.g., balancing the Kullback Leibler (KL) and reconstruction terms. However, the training process and resulting manifold topology and connectivity depend not only on hyperparameters, but also their evolution during training. Because of the inefficiency of exhaustive search in a high-dimensional hyperparameter space for the expensive to train models, here we explored a latent Bayesian optimization (zBO) approach for the hyperparameter trajectory optimization for the unsupervised and semi-supervised ML and demonstrate for joint-VAE with rotational invariances. We demonstrate an application of this method for finding joint discrete and continuous rotationally invariant representations for MNIST and experimental data of a plasmonic nanoparticles material system. The performance of the proposed approach has been discussed extensively, where it allows for any high dimensional hyperparameter tuning or trajectory optimization of other ML models.

Automated decision support systems that are able to infer second opinions from experts can potentially facilitate a more efficient allocation of resources; they can help decide when and from whom to seek a second opinion. In this paper, we look at the design of this type of support systems from the perspective of counterfactual inference. We focus on a multiclass classification setting and first show that, if experts make predictions on their own, the underlying causal mechanism generating their predictions needs to satisfy a desirable set invariant property. Further, we show that, for any causal mechanism satisfying this property, there exists an equivalent mechanism where the predictions by each expert are generated by independent sub-mechanisms governed by a common noise. This motivates the design of a set invariant Gumbel-Max structural causal model where the structure of the noise governing the sub-mechanisms underpinning the model depends on an intuitive notion of similarity between experts which can be estimated from data. Experiments on both synthetic and real data show that our model can be used to infer second opinions more accurately than its non-causal counterpart.

This work discusses how to derive upper bounds for the expected generalisation error of supervised learning algorithms by means of the chaining technique. By developing a general theoretical framework, we establish a duality between generalisation bounds based on the regularity of the loss function, and their chained counterparts, which can be obtained by lifting the regularity assumption from the loss onto its gradient. This allows us to re-derive the chaining mutual information bound from the literature, and to obtain novel chained information-theoretic generalisation bounds, based on the Wasserstein distance and other probability metrics. We show on some toy examples that the chained generalisation bound can be significantly tighter than its standard counterpart, particularly when the distribution of the hypotheses selected by the algorithm is very concentrated.

We propose a message passing algorithm, based on variational Bayesian inference, for low-rank tensor completion with automatic rank determination in the canonical polyadic format when additional side information (SI) is given. The SI comes in the form of low-dimensional subspaces the contain the fiber spans of the tensor (columns, rows, tubes, etc.). We validate the regularization properties induced by SI with extensive numerical experiments on synthetic and real-world data and present the results about tensor recovery and rank determination. The results show that the number of samples required for successful completion is significantly reduced in the presence of SI. We also discuss the origin of a bump in the phase transition curves that exists when the dimensionality of SI is comparable with that of the tensor.