Bayesian and causal inference are fundamental processes for intelligence. Bayesian inference models observations: what can be inferred about y if we observe a related variable x? Causal inference models interventions: if we directly change x, how will y change? Predictive coding is a neuroscience-inspired method for performing Bayesian inference on continuous state variables using local information only. In this work, we go beyond Bayesian inference, and show how a simple change in the inference process of predictive coding enables interventional and counterfactual inference in scenarios where the causal graph is known. We then extend our results, and show how predictive coding can be generalized to cases where this graph is unknown, and has to be inferred from data, hence performing causal discovery. What results is a novel and straightforward technique that allows us to perform end-to-end causal inference on predictive-coding-based structural causal models, and demonstrate its utility for potential applications in machine learning.
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Understanding how helpful a visualization is from experimental results is difficult because the observed performance is confounded with aspects of the study design, such as how useful the information that is visualized is for the task. We develop a rational agent framework for designing and interpreting visualization experiments. Our framework conceives two experiments with the same setup: one with behavioral agents (human subjects), and the other one with a hypothetical rational agent. A visualization is evaluated by comparing the expected performance of behavioral agents to that of a rational agent under different assumptions. Using recent visualization decision studies from the literature, we demonstrate how the framework can be used to pre-experimentally evaluate the experiment design by bounding the expected improvement in performance from having access to visualizations, and post-experimentally to deconfound errors of information extraction from errors of optimization, among other analyses.
Amortized analysis is a program cost analysis technique for data structures in which the cost of operations is specified in aggregate, under the assumption of continued sequential use. Typically, amortized analyses are presented inductively, in terms of finite sequences of operations. We give an alternative coinductive formulation and prove that it is equivalent to the standard inductive definition. We describe a classic amortized data structure, the batched queue, and outline a coinductive proof of its amortized efficiency in $\textbf{calf}$, a dependent type theory for cost analysis.
Traditional problems in computational geometry involve aspects that are both discrete and continuous. One such example is nearest-neighbor searching, where the input is discrete, but the result depends on distances, which vary continuously. In many real-world applications of geometric data structures, it is assumed that query results are continuous, free of jump discontinuities. This is at odds with many modern data structures in computational geometry, which employ approximations to achieve efficiency, but these approximations often suffer from discontinuities. In this paper, we present a general method for transforming an approximate but discontinuous data structure into one that produces a smooth approximation, while matching the asymptotic space efficiencies of the original. We achieve this by adapting an approach called the partition-of-unity method, which smoothly blends multiple local approximations into a single smooth global approximation. We illustrate the use of this technique in a specific application of approximating the distance to the boundary of a convex polytope in $\mathbb{R}^d$ from any point in its interior. We begin by developing a novel data structure that efficiently computes an absolute $\varepsilon$-approximation to this query in time $O(\log (1/\varepsilon))$ using $O(1/\varepsilon^{d/2})$ storage space. Then, we proceed to apply the proposed partition-of-unity blending to guarantee the smoothness of the approximate distance field, establishing optimal asymptotic bounds on the norms of its gradient and Hessian.
The shortest path problem in graphs is fundamental to AI. Nearly all variants of the problem and relevant algorithms that solve them ignore edge-weight computation time and its common relation to weight uncertainty. This implies that taking these factors into consideration can potentially lead to a performance boost in relevant applications. Recently, a generalized framework for weighted directed graphs was suggested, where edge-weight can be computed (estimated) multiple times, at increasing accuracy and run-time expense. We build on this framework to introduce the problem of finding the tightest admissible shortest path (TASP); a path with the tightest suboptimality bound on the optimal cost. This is a generalization of the shortest path problem to bounded uncertainty, where edge-weight uncertainty can be traded for computational cost. We present a complete algorithm for solving TASP, with guarantees on solution quality. Empirical evaluation supports the effectiveness of this approach.
The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.
Triple extraction is an essential task in information extraction for natural language processing and knowledge graph construction. In this paper, we revisit the end-to-end triple extraction task for sequence generation. Since generative triple extraction may struggle to capture long-term dependencies and generate unfaithful triples, we introduce a novel model, contrastive triple extraction with a generative transformer. Specifically, we introduce a single shared transformer module for encoder-decoder-based generation. To generate faithful results, we propose a novel triplet contrastive training object. Moreover, we introduce two mechanisms to further improve model performance (i.e., batch-wise dynamic attention-masking and triple-wise calibration). Experimental results on three datasets (i.e., NYT, WebNLG, and MIE) show that our approach achieves better performance than that of baselines.
The information bottleneck (IB) method is a technique for extracting information that is relevant for predicting the target random variable from the source random variable, which is typically implemented by optimizing the IB Lagrangian that balances the compression and prediction terms. However, the IB Lagrangian is hard to optimize, and multiple trials for tuning values of Lagrangian multiplier are required. Moreover, we show that the prediction performance strictly decreases as the compression gets stronger during optimizing the IB Lagrangian. In this paper, we implement the IB method from the perspective of supervised disentangling. Specifically, we introduce Disentangled Information Bottleneck (DisenIB) that is consistent on compressing source maximally without target prediction performance loss (maximum compression). Theoretical and experimental results demonstrate that our method is consistent on maximum compression, and performs well in terms of generalization, robustness to adversarial attack, out-of-distribution detection, and supervised disentangling.
Embedding entities and relations into a continuous multi-dimensional vector space have become the dominant method for knowledge graph embedding in representation learning. However, most existing models ignore to represent hierarchical knowledge, such as the similarities and dissimilarities of entities in one domain. We proposed to learn a Domain Representations over existing knowledge graph embedding models, such that entities that have similar attributes are organized into the same domain. Such hierarchical knowledge of domains can give further evidence in link prediction. Experimental results show that domain embeddings give a significant improvement over the most recent state-of-art baseline knowledge graph embedding models.
Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.
It is important to detect anomalous inputs when deploying machine learning systems. The use of larger and more complex inputs in deep learning magnifies the difficulty of distinguishing between anomalous and in-distribution examples. At the same time, diverse image and text data are available in enormous quantities. We propose leveraging these data to improve deep anomaly detection by training anomaly detectors against an auxiliary dataset of outliers, an approach we call Outlier Exposure (OE). This enables anomaly detectors to generalize and detect unseen anomalies. In extensive experiments on natural language processing and small- and large-scale vision tasks, we find that Outlier Exposure significantly improves detection performance. We also observe that cutting-edge generative models trained on CIFAR-10 may assign higher likelihoods to SVHN images than to CIFAR-10 images; we use OE to mitigate this issue. We also analyze the flexibility and robustness of Outlier Exposure, and identify characteristics of the auxiliary dataset that improve performance.
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