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GraphTrail: Translating GNN Predictions into Human-Interpretable Logical Rules

Neural Information Processing Systems

Instance-level explanation of graph neural networks (GNNs) is a well-studied area. These explainers, however, only explain an instance (e.g., a graph) and fail to uncover the combinatorial reasoning learned by a GNN from the training data towards making its predictions. In this work, we introduce GraphTrail, the first end-to-end, global, post-hoc GNN explainer that translates the functioning of a black-box GNN model to a boolean formula over the (sub)graph level concepts without relying on local explainers. GraphTrail is unique in automatically mining the discriminative subgraph-level concepts using Shapley values. Subsequently, the GNN predictions are mapped to a human-interpretable boolean formula over these concepts through symbolic regression. Extensive experiments across diverse datasets and GNN architectures demonstrate significant improvement over existing global explainers in mapping GNN predictions to faithful logical formulae. The robust and accurate performance of GraphTrail makes it invaluable for improving GNNs and facilitates adoption in domains with strict transparency requirements.


Higher-Order Responsibility

arXiv.org Artificial Intelligence

In ethics, individual responsibility is often defined through Frankfurt's principle of alternative possibilities. This definition is not adequate in a group decision-making setting because it often results in the lack of a responsible party or "responsibility gap''. One of the existing approaches to address this problem is to consider group responsibility. Another, recently proposed, approach is "higher-order'' responsibility. The paper considers the problem of deciding if higher-order responsibility up to degree $d$ is enough to close the responsibility gap. The main technical result is that this problem is $Π_{2d+1}$-complete.


GraphTrail: Translating GNN Predictions into Human-Interpretable Logical Rules

Neural Information Processing Systems

Instance-level explanation of graph neural networks (GNNs) is a well-studied area. These explainers, however, only explain an instance (e.g., a graph) and fail to uncover the combinatorial reasoning learned by a GNN from the training data towards making its predictions. In this work, we introduce GraphTrail, the first end-to-end, global, post-hoc GNN explainer that translates the functioning of a black-box GNN model to a boolean formula over the (sub)graph level concepts without relying on local explainers. GraphTrail is unique in automatically mining the discriminative subgraph-level concepts using Shapley values. Subsequently, the GNN predictions are mapped to a human-interpretable boolean formula over these concepts through symbolic regression.


Towards Combinatorial Interpretability of Neural Computation

arXiv.org Artificial Intelligence

We introduce combinatorial interpretability, a methodology for understanding neural computation by analyzing the combinatorial structures in the sign-based categorization of a network's weights and biases. We demonstrate its power through feature channel coding, a theory that explains how neural networks compute Boolean expressions and potentially underlies other categories of neural network computation. According to this theory, features are computed via feature channels: unique cross-neuron encodings shared among the inputs the feature operates on. Because different feature channels share neurons, the neurons are polysemantic and the channels interfere with one another, making the computation appear inscrutable. We show how to decipher these computations by analyzing a network's feature channel coding, offering complete mechanistic interpretations of several small neural networks that were trained with gradient descent. Crucially, this is achieved via static combinatorial analysis of the weight matrices, without examining activations or training new autoencoding networks. Feature channel coding reframes the superposition hypothesis, shifting the focus from neuron activation directionality in high-dimensional space to the combinatorial structure of codes. It also allows us for the first time to exactly quantify and explain the relationship between a network's parameter size and its computational capacity (i.e. the set of features it can compute with low error), a relationship that is implicitly at the core of many modern scaling laws. Though our initial studies of feature channel coding are restricted to Boolean functions, we believe they provide a rich, controlled, and informative research space, and that the path we propose for combinatorial interpretation of neural computation can provide a basis for understanding both artificial and biological neural circuits.


On Scaling Neurosymbolic Programming through Guided Logical Inference

arXiv.org Artificial Intelligence

Probabilistic neurosymbolic learning seeks to integrate neural networks with symbolic programming. Many state-of-the-art systems rely on a reduction to the Probabilistic Weighted Model Counting Problem (PWMC), which requires computing a Boolean formula called the logical provenance.However, PWMC is \\#P-hard, and the number of clauses in the logical provenance formula can grow exponentially, creating a major bottleneck that significantly limits the applicability of PNL solutions in practice.We propose a new approach centered around an exact algorithm DPNL, that enables bypassing the computation of the logical provenance.The DPNL approach relies on the principles of an oracle and a recursive DPLL-like decomposition in order to guide and speed up logical inference.Furthermore, we show that this approach can be adapted for approximate reasoning with $\epsilon$ or $(\epsilon, \delta)$ guarantees, called ApproxDPNL.Experiments show significant performance gains.DPNL enables scaling exact inference further, resulting in more accurate models.Further, ApproxDPNL shows potential for advancing the scalability of neurosymbolic programming by incorporating approximations even further, while simultaneously ensuring guarantees for the reasoning process.


Globally Interpretable Classifiers via Boolean Formulas with Dynamic Propositions

arXiv.org Artificial Intelligence

Interpretability and explainability are among the most important challenges of modern artificial intelligence, being mentioned even in various legislative sources. In this article, we develop a method for extracting immediately human interpretable classifiers from tabular data. The classifiers are given in the form of short Boolean formulas built with propositions that can either be directly extracted from categorical attributes or dynamically computed from numeric ones. Our method is implemented using Answer Set Programming. We investigate seven datasets and compare our results to ones obtainable by state-of-the-art classifiers for tabular data, namely, XGBoost and random forests. Over all datasets, the accuracies obtainable by our method are similar to the reference methods. The advantage of our classifiers in all cases is that they are very short and immediately human intelligible as opposed to the black-box nature of the reference methods.


Vehicle-to-Vehicle Charging: Model, Complexity, and Heuristics

arXiv.org Artificial Intelligence

The rapid adoption of Electric Vehicles (EVs) poses challenges for electricity grids to accommodate or mitigate peak demand. Vehicle-to-Vehicle Charging (V2VC) has been recently adopted by popular EVs, posing new opportunities and challenges to the management and operation of EVs. We present a novel V2VC model that allows decision-makers to take V2VC into account when optimizing their EV operations. We show that optimizing V2VC is NP-Complete and find that even small problem instances are computationally challenging. We propose R-V2VC, a heuristic that takes advantage of the resulting totally unimodular constraint matrix to efficiently solve problems of realistic sizes. Our results demonstrate that R-V2VC presents a linear growth in the solution time as the problem size increases, while achieving solutions of optimal or near-optimal quality. R-V2VC can be used for real-world operations and to study what-if scenarios when evaluating the costs and benefits of V2VC.


Engineering an Exact Pseudo-Boolean Model Counter

arXiv.org Artificial Intelligence

Model counting, a fundamental task in computer science, involves determining the number of satisfying assignments to a Boolean formula, typically represented in conjunctive normal form (CNF). While model counting for CNF formulas has received extensive attention with a broad range of applications, the study of model counting for Pseudo-Boolean (PB) formulas has been relatively overlooked. Pseudo-Boolean formulas, being more succinct than propositional Boolean formulas, offer greater flexibility in representing real-world problems. Consequently, there is a crucial need to investigate efficient techniques for model counting for PB formulas. In this work, we propose the first exact Pseudo-Boolean model counter, PBCount, that relies on knowledge compilation approach via algebraic decision diagrams. Our extensive empirical evaluation shows that PBCount can compute counts for 1513 instances while the current state-of-the-art approach could only handle 1013 instances. Our work opens up several avenues for future work in the context of model counting for PB formulas, such as the development of preprocessing techniques and exploration of approaches other than knowledge compilation.


Boolformer: Symbolic Regression of Logic Functions with Transformers

arXiv.org Artificial Intelligence

Deep neural networks, in particuler those based on the Transformer architecture [1], have lead to breakthroughs in computer vision [2] and language modelling [3], and have fuelled the hopes to accelerate scientific discovery [4]. However, their ability to perform simple logic tasks remains limited [5]. These tasks differ from traditional vision or language tasks in the combinatorial nature of their input space, which makes representative data sampling challenging. Reasoning tasks have thus gained major attention in the deep learning community, either with explicit reasoning in the logical domain, e.g., tasks in the realm of arithmetic and algebra [6, 7], algorithmic CLRS tasks [8] or LEGO [9], or implicit reasoning in other modalities, e.g., benchmarks such as Pointer Value Retrieval [10] and Clevr [11] for vision models, or LogiQA [12] and GSM8K [13] for language models. Reasoning also plays a key role in tasks which can be tackled via Boolean modelling, particularly in the fields of biology [14] and medecine [15].


Explainable AI using expressive Boolean formulas

arXiv.org Artificial Intelligence

We propose and implement an interpretable machine learning classification model for Explainable AI (XAI) based on expressive Boolean formulas. Potential applications include credit scoring and diagnosis of medical conditions. The Boolean formula defines a rule with tunable complexity (or interpretability), according to which input data are classified. Such a formula can include any operator that can be applied to one or more Boolean variables, thus providing higher expressivity compared to more rigid rule-based and tree-based approaches. The classifier is trained using native local optimization techniques, efficiently searching the space of feasible formulas. Shallow rules can be determined by fast Integer Linear Programming (ILP) or Quadratic Unconstrained Binary Optimization (QUBO) solvers, potentially powered by special purpose hardware or quantum devices. We combine the expressivity and efficiency of the native local optimizer with the fast operation of these devices by executing non-local moves that optimize over subtrees of the full Boolean formula. We provide extensive numerical benchmarking results featuring several baselines on well-known public datasets. Based on the results, we find that the native local rule classifier is generally competitive with the other classifiers. The addition of non-local moves achieves similar results with fewer iterations, and therefore using specialized or quantum hardware could lead to a speedup by fast proposal of non-local moves.