Pablo Barceló

Pablo Barcelo, Mikhail Galkin, Christopher Morris et al. · deepmind

Knowledge graphs, modeling multi-relational data, improve numerous applications such as question answering or graph logical reasoning. Many graph neural networks for such data emerged recently, often outperforming shallow architectures. However, the design of such multi-relational graph neural networks is ad-hoc, driven mainly by intuition and empirical insights. Up to now, their expressivity, their relation to each other, and their (practical) learning performance is poorly understood. Here, we initiate the study of deriving a more principled understanding of multi-relational graph neural networks. Namely, we investigate the limitations in the expressive power of the well-known Relational GCN and Compositional GCN architectures and shed some light on their practical learning performance. By aligning both architectures with a suitable version of the Weisfeiler-Leman test, we establish under which conditions both models have the same expressive power in distinguishing non-isomorphic (multi-relational) graphs or vertices with different structural roles. Further, by leveraging recent progress in designing expressive graph neural networks, we introduce the $k$-RN architecture that provably overcomes the expressiveness limitations of the above two architectures. Empirically, we confirm our theoretical findings in a vertex classification setting over small and large multi-relational graphs.

Marcelo Arenas, Pablo Barceló, Miguel Romero et al.

Formal XAI (explainable AI) is a growing area that focuses on computing explanations with mathematical guarantees for the decisions made by ML models. Inside formal XAI, one of the most studied cases is that of explaining the choices taken by decision trees, as they are traditionally deemed as one of the most interpretable classes of models. Recent work has focused on studying the computation of "sufficient reasons", a kind of explanation in which given a decision tree $T$ and an instance $x$, one explains the decision $T(x)$ by providing a subset $y$ of the features of $x$ such that for any other instance $z$ compatible with $y$, it holds that $T(z) = T(x)$, intuitively meaning that the features in $y$ are already enough to fully justify the classification of $x$ by $T$. It has been argued, however, that sufficient reasons constitute a restrictive notion of explanation, and thus the community has started to study their probabilistic counterpart, in which one requires that the probability of $T(z) = T(x)$ must be at least some value $δ\in (0, 1]$, where $z$ is a random instance that is compatible with $y$. Our paper settles the computational complexity of $δ$-sufficient-reasons over decision trees, showing that both (1) finding $δ$-sufficient-reasons that are minimal in size, and (2) finding $δ$-sufficient-reasons that are minimal inclusion-wise, do not admit polynomial-time algorithms (unless P=NP). This is in stark contrast with the deterministic case ($δ= 1$) where inclusion-wise minimal sufficient-reasons are easy to compute. By doing this, we answer two open problems originally raised by Izza et al. On the positive side, we identify structural restrictions of decision trees that make the problem tractable, and show how SAT solvers might be able to tackle these problems in practical settings.

Xingyue Huang, Miguel Romero Orth, İsmail İlkan Ceylan et al.

Graph neural networks are prominent models for representation learning over graph-structured data. While the capabilities and limitations of these models are well-understood for simple graphs, our understanding remains incomplete in the context of knowledge graphs. Our goal is to provide a systematic understanding of the landscape of graph neural networks for knowledge graphs pertaining to the prominent task of link prediction. Our analysis entails a unifying perspective on seemingly unrelated models and unlocks a series of other models. The expressive power of various models is characterized via a corresponding relational Weisfeiler-Leman algorithm. This analysis is extended to provide a precise logical characterization of the class of functions captured by a class of graph neural networks. The theoretical findings presented in this paper explain the benefits of some widely employed practical design choices, which are validated empirically.

Valentino Delle Rose, Alexander Kozachinskiy, Cristóbal Rojas et al.

The Weisfeiler--Lehman (WL) test is a fundamental iterative algorithm for checking isomorphism of graphs. It has also been observed that it underlies the design of several graph neural network architectures, whose capabilities and performance can be understood in terms of the expressive power of this test. Motivated by recent developments in machine learning applications to datasets involving three-dimensional objects, we study when the WL test is {\em complete} for clouds of euclidean points represented by complete distance graphs, i.e., when it can distinguish, up to isometry, any arbitrary such cloud. %arbitrary clouds of euclidean points represented by complete distance graphs. % How many dimensions of the Weisfeiler--Lehman test is enough to distinguish any two non-isometric point clouds in $d$-dimensional Euclidean space, assuming that these point clouds are given as complete graphs labeled by distances between the points? This question is important for understanding, which architectures of graph neural networks are capable of fully exploiting the spacial structure of a point cloud. Our main result states that the $(d-1)$-dimensional WL test is complete for point clouds in $d$-dimensional Euclidean space, for any $d\ge 2$, and that only three iterations of the test suffice. We also observe that the $d$-dimensional WL test only requires one iteration to achieve completeness. Our paper thus provides complete understanding of the 3-dimensional case: it was shown in previous works that 1-WL is not complete in $\mathbb{R}^3$, and we show that 2-WL is complete there. We also strengthen the lower bound for 1-WL by showing that it is unable to recognize planar point clouds in $\mathbb{R}^3$. Finally, we show that 2-WL is not complete in $\mathbb{R}^6$, leaving as an open question, whether it is complete in $\mathbb{R}^{d}$ for $d = 4,5$.

Pablo Barceló, Floris Geerts, Matthias Lanzinger et al.

We study the numerical and Boolean expressiveness of MPLang, a declarative language that captures the computation of graph neural networks (GNNs) through linear message passing and activation functions. We begin with A-MPLang, the fragment without activation functions, and give a characterization of its expressive power in terms of walk-summed features. For bounded activation functions, we show that (under mild conditions) all eventually constant activations yield the same expressive power - numerical and Boolean - and that it subsumes previously established logics for GNNs with eventually constant activation functions but without linear layers. Finally, we prove the first expressive separation between unbounded and bounded activations in the presence of linear layers: MPLang with ReLU is strictly more powerful for numerical queries than MPLang with eventually constant activation functions, e.g., truncated ReLU. This hinges on subtle interactions between linear aggregation and eventually constant non-linearities, and it establishes that GNNs using ReLU are more expressive than those restricted to eventually constant activations and linear layers.

Carlos Areces, Pablo Barceló, Valentin Cassano et al.

We study the satisfiability problem for a modal logic expressing knowing-how assertions, which captures an agent's ability to achieve a given goal under the standard semantics based on linear plans. Our main result shows that satisfiability of knowing-how formulas is NP-complete, improving previously known complexity bounds. The proof proceeds via a translation into modal logic S5, an instrumental tool for addressing a variety of problems in knowledge representation.

Tamara Cucumides, Daniel Daza, Pablo Barceló et al.

The challenge of answering graph queries over incomplete knowledge graphs is gaining significant attention in the machine learning community. Neuro-symbolic models have emerged as a promising approach, combining good performance with high interpretability. These models utilize trained architectures to execute atomic queries and integrate modules that mimic symbolic query operators. However, most neuro-symbolic query processors are constrained to tree-like graph pattern queries. These queries admit a bottom-up execution with constant values or anchors at the leaves and the target variable at the root. While expressive, tree-like queries fail to capture critical properties in knowledge graphs, such as the existence of multiple edges between entities or the presence of triangles. We introduce a framework for answering arbitrary graph pattern queries over incomplete knowledge graphs, encompassing both cyclic queries and tree-like queries with existentially quantified leaves. These classes of queries are vital for practical applications but are beyond the scope of most current neuro-symbolic models. Our approach employs an approximation scheme that facilitates acyclic traversals for cyclic patterns, thereby embedding additional symbolic bias into the query execution process. Our experimental evaluation demonstrates that our framework performs competitively on three datasets, effectively handling cyclic queries through our approximation strategy. Additionally, it maintains the performance of existing neuro-symbolic models on anchored tree-like queries and extends their capabilities to queries with existentially quantified variables.

Pablo Barcelo, Alexander Kozachinskiy, Anthony Widjaja Lin et al.

We contribute to the study of formal languages that can be recognized by transformer encoders. We focus on two self-attention mechanisms: (1) UHAT (Unique Hard Attention Transformers) and (2) AHAT (Average Hard Attention Transformers). UHAT encoders are known to recognize only languages inside the circuit complexity class ${\sf AC}^0$, i.e., accepted by a family of poly-sized and depth-bounded boolean circuits with unbounded fan-ins. On the other hand, AHAT encoders can recognize languages outside ${\sf AC}^0$), but their expressive power still lies within the bigger circuit complexity class ${\sf TC}^0$, i.e., ${\sf AC}^0$-circuits extended by majority gates. We first show a negative result that there is an ${\sf AC}^0$-language that cannot be recognized by an UHAT encoder. On the positive side, we show that UHAT encoders can recognize a rich fragment of ${\sf AC}^0$-languages, namely, all languages definable in first-order logic with arbitrary unary numerical predicates. This logic, includes, for example, all regular languages from ${\sf AC}^0$. We then show that AHAT encoders can recognize all languages of our logic even when we enrich it with counting terms. We apply these results to derive new results on the expressive power of UHAT and AHAT up to permutation of letters (a.k.a. Parikh images).

Marcelo Arenas, Pablo Barcelo, Diego Bustamante et al.

The formal XAI community has studied a plethora of interpretability queries aiming to understand the classifications made by decision trees. However, a more uniform understanding of what questions we can hope to answer about these models, traditionally deemed to be easily interpretable, has remained elusive. In an initial attempt to understand uniform languages for interpretability, Arenas et al. (2021) proposed FOIL, a logic for explaining black-box ML models, and showed that it can express a variety of interpretability queries. However, we show that FOIL is limited in two important senses: (i) it is not expressive enough to capture some crucial queries, and (ii) its model agnostic nature results in a high computational complexity for decision trees. In this paper, we carefully craft two fragments of first-order logic that allow for efficiently interpreting decision trees: Q-DT-FOIL and its optimization variant OPT-DT-FOIL. We show that our proposed logics can express not only a variety of interpretability queries considered by previous literature, but also elegantly allows users to specify different objectives the sought explanations should optimize for. Using finite model-theoretic techniques, we show that the different ingredients of Q-DT-FOIL are necessary for its expressiveness, and yet that queries in Q-DT-FOIL can be evaluated with a polynomial number of queries to a SAT solver, as well as their optimization versions in OPT-DT-FOIL. Besides our theoretical results, we provide a SAT-based implementation of the evaluation for OPT-DT-FOIL that is performant on industry-size decision trees.

Matthias Lanzinger, Pablo Barceló

Seminal research in the field of graph neural networks (GNNs) has revealed a direct correspondence between the expressive capabilities of GNNs and the $k$-dimensional Weisfeiler-Leman ($k$WL) test, a widely-recognized method for verifying graph isomorphism. This connection has reignited interest in comprehending the specific graph properties effectively distinguishable by the $k$WL test. A central focus of research in this field revolves around determining the least dimensionality $k$, for which $k$WL can discern graphs with different number of occurrences of a pattern graph $P$. We refer to such a least $k$ as the WL-dimension of this pattern counting problem. This inquiry traditionally delves into two distinct counting problems related to patterns: subgraph counting and induced subgraph counting. Intriguingly, despite their initial appearance as separate challenges with seemingly divergent approaches, both of these problems are interconnected components of a more comprehensive problem: "graph motif parameters". In this paper, we provide a precise characterization of the WL-dimension of labeled graph motif parameters. As specific instances of this result, we obtain characterizations of the WL-dimension of the subgraph counting and induced subgraph counting problem for every labeled pattern $P$. We additionally demonstrate that in cases where the $k$WL test distinguishes between graphs with varying occurrences of a pattern $P$, the exact number of occurrences of $P$ can be computed uniformly using only local information of the last layer of a corresponding GNN. We finally delve into the challenge of recognizing the WL-dimension of various graph parameters. We give a polynomial time algorithm for determining the WL-dimension of the subgraph counting problem for given pattern $P$, answering an open question from previous work.

Marcelo Arenas, Pablo Barceló, Diego Bustamante et al.

The XAI community has studied a wide range of queries and scores for explaining predictions of ML models. From a data management perspective, this proliferation of explanation notions calls for declarative query languages in which such notions can be specified, combined, and analyzed uniformly. In this paper, we develop such a framework for Boolean models. We first revisit FOIL, an interpretability query language for black-box models, and show that it has two fundamental limitations: it cannot express central optimality-based explanation queries, and its evaluation problem over decision trees is hard for every level of the polynomial hierarchy. We then introduce ExplAIner, a query language based on FOIL with an extended vocabulary and a layered structure. We show that ExplAIner can express a broad family of explanation notions, including abductive, contrastive, feature-based, and distance-based queries. We also prove that the evaluation problem for each query in ExplAIner belongs to the Boolean hierarchy over every class of Boolean models for which some basic predicates can be evaluated in polynomial time. In particular, that property holds for deterministic and decomposable Boolean circuits. Finally, we introduce Opt-FOIL, an optimization-oriented fragment of ExplAIner for computing explanations that are minimal with respect to strict partial orders, and prove that its evaluation problem is in $\mathrm{FP}^{\mathrm{NP}}$ under the same tractability assumptions. These complexity results have a direct algorithmic consequence: a fixed ExplAIner query can be evaluated with a fixed number of calls to a SAT solver, while a notion of explanation specified in Opt-FOIL can be computed with a polynomial number of such calls. This is particularly relevant in formal XAI, where SAT solvers have been successfully used to compute explanations for several classes of ML models.

Pablo Barceló, Mauricio Duarte, Cristóbal Rojas et al.

In peer review systems, reviewers are often asked to evaluate various features of submissions, such as technical quality or novelty. A score is given to each of the predefined features and based on these the reviewer has to provide an overall quantitative recommendation. It may be assumed that each reviewer has her own mapping from the set of features to a recommendation, and that different reviewers have different mappings in mind. This introduces an element of arbitrariness known as commensuration bias. In this paper we discuss a framework, introduced by Noothigattu, Shah and Procaccia, and then applied by the organizers of the AAAI 2022 conference. Noothigattu, Shah and Procaccia proposed to aggregate reviewer's mapping by minimizing certain loss functions, and studied axiomatic properties of this approach, in the sense of social choice theory. We challenge several of the results and assumptions used in their work and report a number of negative results. On the one hand, we study a trade-off between some of the axioms proposed and the ability of the method to properly capture agreements of the majority of reviewers. On the other hand, we show that dropping a certain unrealistic assumption has dramatic effects, including causing the method to be discontinuous.

Xingyue Huang, Pablo Barceló, Michael M. Bronstein et al. · deepmind

Knowledge Graph Foundation Models (KGFMs) are at the frontier for deep learning on knowledge graphs (KGs), as they can generalize to completely novel knowledge graphs with different relational vocabularies. Despite their empirical success, our theoretical understanding of KGFMs remains very limited. In this paper, we conduct a rigorous study of the expressive power of KGFMs. Specifically, we show that the expressive power of KGFMs directly depends on the motifs that are used to learn the relation representations. We then observe that the most typical motifs used in the existing literature are binary, as the representations are learned based on how pairs of relations interact, which limits the model's expressiveness. As part of our study, we design more expressive KGFMs using richer motifs, which necessitate learning relation representations based on, e.g., how triples of relations interact with each other. Finally, we empirically validate our theoretical findings, showing that the use of richer motifs results in better performance on a wide range of datasets drawn from different domains.

Pablo Barceló, Alexander Kozachinskiy, Miguel Romero Orth et al.

Despite the wide use of $k$-Nearest Neighbors as classification models, their explainability properties remain poorly understood from a theoretical perspective. While nearest neighbors classifiers offer interpretability from a "data perspective", in which the classification of an input vector $\bar{x}$ is explained by identifying the vectors $\bar{v}_1, \ldots, \bar{v}_k$ in the training set that determine the classification of $\bar{x}$, we argue that such explanations can be impractical in high-dimensional applications, where each vector has hundreds or thousands of features and it is not clear what their relative importance is. Hence, we focus on understanding nearest neighbor classifications through a "feature perspective", in which the goal is to identify how the values of the features in $\bar{x}$ affect its classification. Concretely, we study abductive explanations such as "minimum sufficient reasons", which correspond to sets of features in $\bar{x}$ that are enough to guarantee its classification, and "counterfactual explanations" based on the minimum distance feature changes one would have to perform in $\bar{x}$ to change its classification. We present a detailed landscape of positive and negative complexity results for counterfactual and abductive explanations, distinguishing between discrete and continuous feature spaces, and considering the impact of the choice of distance function involved. Finally, we show that despite some negative complexity results, Integer Quadratic Programming and SAT solving allow for computing explanations in practice.

Xingyue Huang, Miguel Romero Orth, Pablo Barceló et al.

Link prediction with knowledge graphs has been thoroughly studied in graph machine learning, leading to a rich landscape of graph neural network architectures with successful applications. Nonetheless, it remains challenging to transfer the success of these architectures to relational hypergraphs, where the task of link prediction is over $k$-ary relations, which is substantially harder than link prediction with knowledge graphs. In this paper, we propose a framework for link prediction with relational hypergraphs, unlocking applications of graph neural networks to fully relational structures. Theoretically, we conduct a thorough analysis of the expressive power of the resulting model architectures via corresponding relational Weisfeiler-Leman algorithms and also via logical expressiveness. Empirically, we validate the power of the proposed model architectures on various relational hypergraph benchmarks. The resulting model architectures substantially outperform every baseline for inductive link prediction, and lead to state-of-the-art results for transductive link prediction.

Pablo Barceló, Alexander Kozachinskiy, Tomasz Steifer

The notion of \emph{rank} of a Boolean function has been a cornerstone in PAC learning theory, enabling quasipolynomial-time learning algorithms for polynomial-size decision trees. We present a novel characterization of rank, grounded in the well-known Transformer architecture. We show that the rank of a function $f$ corresponds to the minimum number of \emph{Chain of Thought} (CoT) steps required by a single-layer Transformer with hard attention to compute $f$. Based on this characterization we establish tight bounds on the number of CoT steps required for specific problems, showing that \(\ell\)-fold function composition necessitates exactly \(\ell\) CoT steps. Furthermore, we analyze the problem of identifying the position of the \(k\)-th occurrence of 1 in a Boolean sequence, proving that it requires \(k\) CoT steps. Finally, we introduce the notion of the multi-head rank that captures multi-head single-layer transformers, and perform the analysis of PAC-learnability of the classes of functions with bounded multi-head rank.

P. Barceló, R. Cominetti, M. Morgado

Feature attribution methods have become essential for explaining machine learning models. Many popular approaches, such as SHAP and Banzhaf values, are grounded in power indices from cooperative game theory, which measure the contribution of features to model predictions. This work studies the computational complexity of power indices beyond SHAP, addressing the conditions under which they can be computed efficiently. We identify a simple condition on power indices that ensures that computation is polynomially equivalent to evaluating expected values, extending known results for SHAP. We also introduce Bernoulli power indices, showing that their computation can be simplified to a constant number of expected value evaluations. Furthermore, we explore interaction power indices that quantify the importance of feature subsets, proving that their computation complexity mirrors that of individual features.

Pablo Barceló, Fabian Jogl, Alexander Kozachinskiy et al.

We propose EB-1WL, an edge-based color-refinement test, and a corresponding GNN architecture, EB-GNN. Our architecture is inspired by a classic triangle counting algorithm by Chiba and Nishizeki, and explicitly uses triangles during message passing. We achieve the following results: (1)~EB-1WL is significantly more expressive than 1-WL. Further, we provide a complete logical characterization of EB-1WL based on first-order logic, and matching distinguishability results based on homomorphism counting. (2)~In an important distinction from previous proposals for more expressive GNN architectures, EB-1WL and EB-GNN require near-linear time and memory on practical graph learning tasks. (3)~Empirically, we show that EB-GNN is a highly-efficient general-purpose architecture: It substantially outperforms simple MPNNs, and remains competitive with task-specialized GNNs while being significantly more computationally efficient.

Marcelo Arenas, Daniel Baez, Pablo Barceló et al.

Several queries and scores have recently been proposed to explain individual predictions over ML models. Given the need for flexible, reliable, and easy-to-apply interpretability methods for ML models, we foresee the need for developing declarative languages to naturally specify different explainability queries. We do this in a principled way by rooting such a language in a logic, called FOIL, that allows for expressing many simple but important explainability queries, and might serve as a core for more expressive interpretability languages. We study the computational complexity of FOIL queries over two classes of ML models often deemed to be easily interpretable: decision trees and OBDDs. Since the number of possible inputs for an ML model is exponential in its dimension, the tractability of the FOIL evaluation problem is delicate but can be achieved by either restricting the structure of the models or the fragment of FOIL being evaluated. We also present a prototype implementation of FOIL wrapped in a high-level declarative language and perform experiments showing that such a language can be used in practice.

Pablo Barceló, Floris Geerts, Juan Reutter et al.

Various recent proposals increase the distinguishing power of Graph Neural Networks GNNs by propagating features between $k$-tuples of vertices. The distinguishing power of these "higher-order'' GNNs is known to be bounded by the $k$-dimensional Weisfeiler-Leman (WL) test, yet their $\mathcal O(n^k)$ memory requirements limit their applicability. Other proposals infuse GNNs with local higher-order graph structural information from the start, hereby inheriting the desirable $\mathcal O(n)$ memory requirement from GNNs at the cost of a one-time, possibly non-linear, preprocessing step. We propose local graph parameter enabled GNNs as a framework for studying the latter kind of approaches and precisely characterize their distinguishing power, in terms of a variant of the WL test, and in terms of the graph structural properties that they can take into account. Local graph parameters can be added to any GNN architecture, and are cheap to compute. In terms of expressive power, our proposal lies in the middle of GNNs and their higher-order counterparts. Further, we propose several techniques to aide in choosing the right local graph parameters. Our results connect GNNs with deep results in finite model theory and finite variable logics. Our experimental evaluation shows that adding local graph parameters often has a positive effect for a variety of GNNs, datasets and graph learning tasks.

Marcelo Arenas, Pablo Barceló, Leopoldo Bertossi et al.

In Machine Learning, the $\mathsf{SHAP}$-score is a version of the Shapley value that is used to explain the result of a learned model on a specific entity by assigning a score to every feature. While in general computing Shapley values is an intractable problem, we prove a strong positive result stating that the $\mathsf{SHAP}$-score can be computed in polynomial time over deterministic and decomposable Boolean circuits. Such circuits are studied in the field of Knowledge Compilation and generalize a wide range of Boolean circuits and binary decision diagrams classes, including binary decision trees and Ordered Binary Decision Diagrams (OBDDs). We also establish the computational limits of the SHAP-score by observing that computing it over a class of Boolean models is always polynomially as hard as the model counting problem for that class. This implies that both determinism and decomposability are essential properties for the circuits that we consider. It also implies that computing $\mathsf{SHAP}$-scores is intractable as well over the class of propositional formulas in DNF. Based on this negative result, we look for the existence of fully-polynomial randomized approximation schemes (FPRAS) for computing $\mathsf{SHAP}$-scores over such class. In contrast to the model counting problem for DNF formulas, which admits an FPRAS, we prove that no such FPRAS exists for the computation of $\mathsf{SHAP}$-scores. Surprisingly, this negative result holds even for the class of monotone formulas in DNF. These techniques can be further extended to prove another strong negative result: Under widely believed complexity assumptions, there is no polynomial-time algorithm that checks, given a monotone DNF formula $\varphi$ and features $x,y$, whether the $\mathsf{SHAP}$-score of $x$ in $\varphi$ is smaller than the $\mathsf{SHAP}$-score of $y$ in $\varphi$.

Pablo Barcelo, Gerald Berger, Carsten Lutz et al.

We focus on ontology-mediated queries (OMQs) based on (frontier-)guarded existential rules and (unions of) conjunctive queries, and we investigate the problem of FO-rewritability, i.e., whether an OMQ can be rewritten as a first-order query. We adopt two different approaches. The first approach employs standard two-way alternating parity tree automata. Although it does not lead to a tight complexity bound, it provides a transparent solution based on widely known tools. The second approach relies on a sophisticated automata model, known as cost automata. This allows us to show that our problem is 2ExpTime-complete. In both approaches, we provide semantic characterizations of FO-rewritability that are of independent interest.

Pablo Barceló, Mikaël Monet, Jorge Pérez et al.

In spite of several claims stating that some models are more interpretable than others -- e.g., "linear models are more interpretable than deep neural networks" -- we still lack a principled notion of interpretability to formally compare among different classes of models. We make a step towards such a notion by studying whether folklore interpretability claims have a correlate in terms of computational complexity theory. We focus on local post-hoc explainability queries that, intuitively, attempt to answer why individual inputs are classified in a certain way by a given model. In a nutshell, we say that a class $\mathcal{C}_1$ of models is more interpretable than another class $\mathcal{C}_2$, if the computational complexity of answering post-hoc queries for models in $\mathcal{C}_2$ is higher than for those in $\mathcal{C}_1$. We prove that this notion provides a good theoretical counterpart to current beliefs on the interpretability of models; in particular, we show that under our definition and assuming standard complexity-theoretical assumptions (such as P$\neq$NP), both linear and tree-based models are strictly more interpretable than neural networks. Our complexity analysis, however, does not provide a clear-cut difference between linear and tree-based models, as we obtain different results depending on the particular post-hoc explanations considered. Finally, by applying a finer complexity analysis based on parameterized complexity, we are able to prove a theoretical result suggesting that shallow neural networks are more interpretable than deeper ones.

Pablo Barcelo, Cristina Feier, Carsten Lutz et al.

In ontology-mediated querying, description logic (DL) ontologies are used to enrich incomplete data with domain knowledge which results in more complete answers to queries. However, the evaluation of ontology-mediated queries (OMQs) over relational databases is computationally hard. This raises the question when OMQ evaluation is efficient, in the sense of being tractable in combined complexity or fixed-parameter tractable. We study this question for a range of ontology-mediated query languages based on several important and widely-used DLs, using unions of conjunctive queries as the actual queries. For the DL ELHI extended with the bottom concept, we provide a characterization of the classes of OMQs that are fixed-parameter tractable. For its fragment EL extended with domain and range restrictions and the bottom concept (which restricts the use of inverse roles), we provide a characterization of the classes of OMQs that are tractable in combined complexity. Both results are in terms of equivalence to OMQs of bounded tree width and rest on a reasonable assumption from parameterized complexity theory. They are similar in spirit to Grohe's seminal characterization of the tractable classes of conjunctive queries over relational databases. We further study the complexity of the meta problem of deciding whether a given OMQ is equivalent to an OMQ of bounded tree width, providing several completeness results that range from NP to 2ExpTime, depending on the DL used. We also consider the DL-Lite family of DLs, including members that admit functional roles.

Pablo Barcelo, Victor Dalmau, Cristina Feier et al.

Ontology-mediated querying and querying in the presence of constraints are two key database problems where tuple-generating dependencies (TGDs) play a central role. In ontology-mediated querying, TGDs can formalize the ontology and thus derive additional facts from the given data, while in querying in the presence of constraints, they restrict the set of admissible databases. In this work, we study the limits of efficient query evaluation in the context of the above two problems, focussing on guarded and frontier-guarded TGDs and on UCQs as the actual queries. We show that a class of ontology-mediated queries (OMQs) based on guarded TGDs can be evaluated in FPT iff the OMQs in the class are equivalent to OMQs in which the actual query has bounded treewidth, up to some reasonable assumptions. For querying in the presence of constraints, we consider classes of constraint-query specifications (CQSs) that bundle a set of constraints with an actual query. We show a dichotomy result for CQSs based on guarded TGDs that parallels the one for OMQs except that, additionally, FPT coincides with PTime combined complexity. The proof is based on a novel connection between OMQ and CQS evaluation. Using a direct proof, we also show a similar dichotomy result, again up to some reasonable assumptions, for CQSs based on frontier-guarded TGDs with a bounded number of atoms in TGD heads. Our results on CQSs can be viewed as extensions of Grohe's well-known characterization of the tractable classes of CQs (without constraints). Like Grohe's characterization, all the above results assume that the arity of relation symbols is bounded by a constant. We also study the associated meta problems, i.e., whether a given OMQ or CQS is equivalent to one in which the actual query has bounded treewidth.

Jorge Pérez, Javier Marinković, Pablo Barceló

Alternatives to recurrent neural networks, in particular, architectures based on attention or convolutions, have been gaining momentum for processing input sequences. In spite of their relevance, the computational properties of these alternatives have not yet been fully explored. We study the computational power of two of the most paradigmatic architectures exemplifying these mechanisms: the Transformer (Vaswani et al., 2017) and the Neural GPU (Kaiser & Sutskever, 2016). We show both models to be Turing complete exclusively based on their capacity to compute and access internal dense representations of the data. In particular, neither the Transformer nor the Neural GPU requires access to an external memory to become Turing complete. Our study also reveals some minimal sets of elements needed to obtain these completeness results.

Pablo Barcelo, Gerald Berger, Andreas Pieris

Many efforts have been dedicated to identifying restrictions on ontologies expressed as tuple-generating dependencies (tgds), a.k.a. existential rules, that lead to the decidability for the problem of answering ontology-mediated queries (OMQs). This has given rise to three families of formalisms: guarded, non-recursive, and sticky sets of tgds. In this work, we study the containment problem for OMQs expressed in such formalisms, which is a key ingredient for solving static analysis tasks associated with them. Our main contribution is the development of specially tailored techniques for OMQ containment under the classes of tgds stated above. This enables us to obtain sharp complexity bounds for the problems at hand, which in turn allow us to delimitate its practical applicability. We also apply our techniques to pinpoint the complexity of problems associated with two emerging applications of OMQ containment: distribution over components and UCQ rewritability of OMQs.