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Ester Livshits

Publications and source records attributed to Ester Livshits.

At least 19 recordsLinked to original sources

No source-free exchange-correlation magnetic fields in non-collinear spin-density functional theory

The source-free condition, $\nabla\cdot\mathbf{B}_{xc}=0$, where $\mathbf{B}_{xc}$ is the exchange-correlation (xc) magnetic field in non-collinear spin-density functional theory, is widely believed to be exact. Recent studies report that when the field of a parent functional is made source-free by projection - a posteriori, rather than by construction - the predicted magnetic moments improve. We show that the condition violates global spin-rotation symmetry of the xc energy functional $E_{xc}$ and therefore cannot be exact. It has nonetheless been found useful, so we examine the errors it introduces. We first implement the condition variationally, using any parent $E_{xc}$ functional: the resulting source-free (SoF) field is divergence-free, remains a functional derivative, and exerts local torques. With the LSDA as the parent functional, we examine Mn$_2$. SoF and the locally collinear (LoC) LSDA both give too short a bond and too large a bond energy, but they differ on the magnetic and electronic properties: SoF finds the experimentally observed $^1Σ_g^+$ antiferromagnet, with a coupling of the right sign and, extrapolated to the experimental bond length, roughly the right size, while LoC finds a high-spin $^{11}Π_u$ ferromagnet and the wrong sign. But breaking the symmetry produces severe errors in every directional property. A rigid spin rotation of the magnetization changes $E_{xc}$ by about 1 eV (it should not change at all); in a weak uniform external field the magnetization points perpendicular to the field (it should be antiparallel to it); and the system develops a spurious magnetic anisotropy of about 175 meV (an effect that requires spin-orbit coupling, which is absent here).

cond-mat.mtrl-sci

Optimal Repairs for Unary Functional Dependencies: Resolving the Case of Updates

If a table violates its required set of functional dependencies (FDs), what is the minimum number of cell changes needed to restore consistency? This fundamental problem, known as finding an optimal update repair (U-repair), is known to admit polynomial-time algorithms only for a small number of specific FD sets. Whether additional tractable cases exist has remained open. The only established hardness result for this problem is due to Kolahi and Lakshmanan (2009); subsequent attempts to prove hardness for additional cases have failed, leaving these cases unresolved. In this work, we make substantial progress on this open problem by completely resolving the case of unary FDs, in which every FD has a single attribute on its left-hand side. We show that every set of unary FDs either falls into one of the previously known tractable classes or makes the problem of finding an optimal U-repair NP-hard.

cs.DS

Analyzing Deviations from Monotonic Trends through Database Repair

Datasets often exhibit violations of expected monotonic trends - for example, higher education level correlating with higher average salary, newer homes being more expensive, or diabetes prevalence increasing with age. We address the problem of quantifying how far a dataset deviates from such trends. To this end, we introduce Aggregate Order Dependencies (AODs), an aggregation-centric extension of the previously studied order dependencies. An AOD specifies that the aggregated value of a target attribute (e.g., mean salary) should monotonically increase or decrease with the grouping attribute (e.g., education level). We formulate the AOD repair problem as finding the smallest set of tuples to delete from a table so that the given AOD is satisfied. We analyze the computational complexity of this problem and propose a general algorithmic template for solving it. We instantiate the template for common aggregation functions, introduce optimization techniques that substantially improve the runtime of the template instances, and develop efficient heuristic alternatives. Our experimental study, carried out on both real-world and synthetic datasets, demonstrates the practical efficiency of the algorithms and provides insight into the performance of the heuristics. We also present case studies that uncover and explain unexpected AOD violations using our framework.

cs.DB

Combined Approximations for Uniform Operational Consistent Query Answering

Operational consistent query answering (CQA) is a recent framework for CQA based on revised definitions of repairs, which are built by applying a sequence of operations (e.g., fact deletions) starting from an inconsistent database until we reach a database that is consistent w.r.t. the given set of constraints. It has been recently shown that there is an efficient approximation for computing the percentage of repairs that entail a given query when we focus on primary keys, conjunctive queries, and assuming the query is fixed (i.e., in data complexity). However, it has been left open whether such an approximation exists when the query is part of the input (i.e., in combined complexity). We show that this is the case when we focus on self-join-free conjunctive queries of bounded generelized hypertreewidth. We also show that it is unlikely that efficient approximation schemes exist once we give up one of the adopted syntactic restrictions, i.e., self-join-freeness or bounding the generelized hypertreewidth. Towards the desired approximation, we introduce a counting complexity class, called $\mathsf{SpanTL}$, show that each problem in it admits an efficient approximation scheme by using a recent approximability result about tree automata, and then place the problem of interest in $\mathsf{SpanTL}$.

cs.DB

Repairing Databases over Metric Spaces with Coincidence Constraints

Datasets often contain values that naturally reside in a metric space: numbers, strings, geographical locations, machine-learned embeddings in a Euclidean space, and so on. We study the computational complexity of repairing inconsistent databases that violate integrity constraints, where the database values belong to an underlying metric space. The goal is to update the database values to retain consistency while minimizing the total distance between the original values and the repaired ones. We consider what we refer to as \emph{coincidence constraints}, which include key constraints, inclusion, foreign keys, and generally any restriction on the relationship between the numbers of cells of different labels (attributes) coinciding in a single value, for a fixed attribute set. We begin by showing that the problem is APX-hard for general metric spaces. We then present an algorithm solving the problem optimally for tree metrics, which generalize both the line metric (i.e., where repaired values are numbers) and the discrete metric (i.e., where we simply count the number of changed values). Combining our algorithm for tree metrics and a classic result on probabilistic tree embeddings, we design a (high probability) logarithmic-ratio approximation for general metrics. We also study the variant of the problem where each individual value's allowed change is limited. In this variant, it is already NP-complete to decide the existence of any legal repair for a general metric, and we present a polynomial-time repairing algorithm for the case of a line metric.

cs.DB

Exact and Approximate Counting of Database Repairs

A key task in the context of consistent query answering is to count the number of repairs that entail the query, with the ultimate goal being a precise data complexity classification. This has been achieved in the case of primary keys and self-join-free conjunctive queries (CQs) via an FP/#P-complete dichotomy. We lift this result to the more general case of functional dependencies (FDs). Another important task in this context is whenever the counting problem in question is intractable, to classify it as approximable, i.e., the target value can be efficiently approximated with error guarantees via a fully polynomial-time randomized approximation scheme (FPRAS), or as inapproximable. Although for primary keys and CQs (even with self-joins) the problem is always approximable, we prove that this is not the case for FDs. We show, however, that the class of FDs with a left-hand side chain forms an island of approximability. We see these results, apart from being interesting in their own right, as crucial steps towards a complete classification of approximate counting of repairs in the case of FDs and self-join-free CQs.

cs.DB

The Shapley Value in Database Management

Attribution scores can be applied in data management to quantify the contribution of individual items to conclusions from the data, as part of the explanation of what led to these conclusions. In Artificial Intelligence, Machine Learning, and Data Management, some of the common scores are deployments of the Shapley value, a formula for profit sharing in cooperative game theory. Since its invention in the 1950s, the Shapley value has been used for contribution measurement in many fields, from economics to law, with its latest researched applications in modern machine learning. Recent studies investigated the application of the Shapley value to database management. This article gives an overview of recent results on the computational complexity of the Shapley value for measuring the contribution of tuples to query answers and to the extent of inconsistency with respect to integrity constraints. More specifically, the article highlights lower and upper bounds on the complexity of calculating the Shapley value, either exactly or approximately, as well as solutions for realizing the calculation in practice.

cs.DB

Combined Approximations for Uniform Operational Consistent Query Answering

Operational consistent query answering (CQA) is a recent framework for CQA based on revised definitions of repairs, which are built by applying a sequence of operations (e.g., fact deletions) starting from an inconsistent database until we reach a database that is consistent w.r.t. the given set of constraints. It has been recently shown that there are efficient approximations for computing the percentage of repairs, as well as of sequences of operations leading to repairs, that entail a given query when we focus on primary keys, conjunctive queries, and assuming the query is fixed (i.e., in data complexity). However, it has been left open whether such approximations exist when the query is part of the input (i.e., in combined complexity). We show that this is the case when we focus on self-join-free conjunctive queries of bounded generelized hypertreewidth. We also show that it is unlikely that efficient approximation schemes exist once we give up one of the adopted syntactic restrictions, i.e., self-join-freeness or bounding the generelized hypertreewidth. Towards the desired approximation schemes, we introduce a novel counting complexity class, called SpanTL, show that each problem in SpanTL admits an efficient approximation scheme by using a recent approximability result in the context of tree automata, and then place the problems of interest in SpanTL.

cs.DB

The Complexity of Why-Provenance for Datalog Queries

Explaining why a database query result is obtained is an essential task towards the goal of Explainable AI, especially nowadays where expressive database query languages such as Datalog play a critical role in the development of ontology-based applications. A standard way of explaining a query result is the so-called why-provenance, which essentially provides information about the witnesses to a query result in the form of subsets of the input database that are sufficient to derive that result. To our surprise, despite the fact that the notion of why-provenance for Datalog queries has been around for decades and intensively studied, its computational complexity remains unexplored. The goal of this work is to fill this apparent gap in the why-provenance literature. Towards this end, we pinpoint the data complexity of why-provenance for Datalog queries and key subclasses thereof. The takeaway of our work is that why-provenance for recursive queries, even if the recursion is limited to be linear, is an intractable problem, whereas for non-recursive queries is highly tractable. Having said that, we experimentally confirm, by exploiting SAT solvers, that making why-provenance for (recursive) Datalog queries work in practice is not an unrealistic goal.

cs.DB

The Shapley Value of Inconsistency Measures for Functional Dependencies

Quantifying the inconsistency of a database is motivated by various goals including reliability estimation for new datasets and progress indication in data cleaning. Another goal is to attribute to individual tuples a level of responsibility to the overall inconsistency, and thereby prioritize tuples in the explanation or inspection of dirt. Therefore, inconsistency quantification and attribution have been a subject of much research in Knowledge Representation and, more recently, in Databases. As in many other fields, a conventional responsibility sharing mechanism is the Shapley value from cooperative game theory. In this paper, we carry out a systematic investigation of the complexity of the Shapley value in common inconsistency measures for functional-dependency (FD) violations. For several measures we establish a full classification of the FD sets into tractable and intractable classes with respect to Shapley-value computation. We also study the complexity of approximation in intractable cases.

cs.DB

Uniform Operational Consistent Query Answering

Operational consistent query answering (CQA) is a recent framework for CQA, based on revised definitions of repairs and consistent answers, which opens up the possibility of efficient approximations with explicit error guarantees. The main idea is to iteratively apply operations (e.g., fact deletions), starting from an inconsistent database, until we reach a database that is consistent w.r.t. the given set of constraints. This gives us the flexibility of choosing the probability with which we apply an operation, which in turn allows us to calculate the probability of an operational repair, and thus, the probability with which a consistent answer is entailed. A natural way of assigning probabilities to operations is by targeting the uniform probability distribution over a reasonable space such as the set of operational repairs, the set of sequences of operations that lead to an operational repair, and the set of available operations at a certain step of the repairing process. This leads to what we generally call uniform operational CQA. The goal of this work is to perform a data complexity analysis of both exact and approximate uniform operational CQA, focusing on functional dependencies (and subclasses thereof), and conjunctive queries. The main outcome of our analysis (among other positive and negative results), is that uniform operational CQA pushes the efficiency boundaries further by ensuring the existence of efficient approximation schemes in scenarios that go beyond the simple case of primary keys, which seems to be the limit of the classical approach to CQA.

cs.DB

The Shapley Value of Tuples in Query Answering

We investigate the application of the Shapley value to quantifying the contribution of a tuple to a query answer. The Shapley value is a widely known numerical measure in cooperative game theory and in many applications of game theory for assessing the contribution of a player to a coalition game. It has been established already in the 1950s, and is theoretically justified by being the very single wealth-distribution measure that satisfies some natural axioms. While this value has been investigated in several areas, it received little attention in data management. We study this measure in the context of conjunctive and aggregate queries by defining corresponding coalition games. We provide algorithmic and complexity-theoretic results on the computation of Shapley-based contributions to query answers; and for the hard cases we present approximation algorithms.

cs.DB

Properties of Inconsistency Measures for Databases

How should we quantify the inconsistency of a database that violates integrity constraints? Proper measures are important for various tasks, such as progress indication and action prioritization in cleaning systems, and reliability estimation for new datasets. To choose an appropriate inconsistency measure, it is important to identify the desired properties in the application and understand which of these is guaranteed or at least expected in practice. For example, in some use cases the inconsistency should reduce if constraints are eliminated; in others it should be stable and avoid jitters and jumps in reaction to small changes in the database. We embark on a systematic investigation of properties for database inconsistency measures. We investigate a collection of basic measures that have been proposed in the past in both the Knowledge Representation and Database communities, analyze their theoretical properties, and empirically observe their behaviour in an experimental study. We also demonstrate how the framework can lead to new inconsistency measures by introducing a new measure that, in contrast to the rest, satisfies all of the properties we consider and can be computed in polynomial time.

cs.DB

Database Repairing with Soft Functional Dependencies

A common interpretation of soft constraints penalizes the database for every violation of every constraint, where the penalty is the cost (weight) of the constraint. A computational challenge is that of finding an optimal subset: a collection of database tuples that minimizes the total penalty when each tuple has a cost of being excluded. When the constraints are strict (i.e., have an infinite cost), this subset is a "cardinality repair" of an inconsistent database; in soft interpretations, this subset corresponds to a "most probable world" of a probabilistic database, a "most likely intention" of a probabilistic unclean database, and so on. Within the class of functional dependencies, the complexity of finding a cardinality repair is thoroughly understood. Yet, very little is known about the complexity of this problem in the more general soft semantics. This paper makes a significant progress in this direction. In addition to general insights about the hardness and approximability of the problem, we present algorithms for two special cases: a single functional dependency, and a bipartite matching. The latter is the problem of finding an optimal "almost matching" of a bipartite graph where a penalty is paid for every lost edge and every violation of monogamy.

cs.DB

Approximate Denial Constraints

The problem of mining integrity constraints from data has been extensively studied over the past two decades for commonly used types of constraints including the classic Functional Dependencies (FDs) and the more general Denial Constraints (DCs). In this paper, we investigate the problem of mining approximate DCs (i.e., DCs that are "almost" satisfied) from data. Considering approximate constraints allows us to discover more accurate constraints in inconsistent databases, detect rules that are generally correct but may have a few exceptions, as well as avoid overfitting and obtain more general and less contrived constraints. We introduce the algorithm ADCMiner for mining approximate DCs. An important feature of this algorithm is that it does not assume any specific definition of an approximate DC, but takes the semantics as input. Since there is more than one way to define an approximate DC and different definitions may produce very different results, we do not focus on one definition, but rather on a general family of approximation functions that satisfies some natural axioms defined in this paper and captures commonly used definitions of approximate constraints. We also show how our algorithm can be combined with sampling to return results with high accuracy while significantly reducing the running time.

cs.DB

The Impact of Negation on the Complexity of the Shapley Value in Conjunctive Queries

The Shapley value is a conventional and well-studied function for determining the contribution of a player to the coalition in a cooperative game. Among its applications in a plethora of domains, it has recently been proposed to use the Shapley value for quantifying the contribution of a tuple to the result of a database query. In particular, we have a thorough understanding of the tractability frontier for the class of Conjunctive Queries (CQs) and aggregate functions over CQs. It has also been established that a tractable (randomized) multiplicative approximation exists for every union of CQs. Nevertheless, all of these results are based on the monotonicity of CQs. In this work, we investigate the implication of negation on the complexity of Shapley computation, in both the exact and approximate senses. We generalize a known dichotomy to account for negated atoms. We also show that negation fundamentally changes the complexity of approximation. We do so by drawing a connection to the problem of deciding whether a tuple is "relevant" to a query, and by analyzing its complexity.

cs.DB

Computing Optimal Repairs for Functional Dependencies

We investigate the complexity of computing an optimal repair of an inconsistent database, in the case where integrity constraints are Functional Dependencies (FDs). We focus on two types of repairs: an optimal subset repair (optimal S-repair) that is obtained by a minimum number of tuple deletions, and an optimal update repair (optimal U-repair) that is obtained by a minimum number of value (cell) updates. For computing an optimal S-repair, we present a polynomial-time algorithm that succeeds on certain sets of FDs and fails on others. We prove the following about the algorithm. When it succeeds, it can also incorporate weighted tuples and duplicate tuples. When it fails, the problem is NP-hard, and in fact, APX-complete (hence, cannot be approximated better than some constant). Thus, we establish a dichotomy in the complexity of computing an optimal S-repair. We present general analysis techniques for the complexity of computing an optimal U-repair, some based on the dichotomy for S-repairs. We also draw a connection to a past dichotomy in the complexity of finding a "most probable database" that satisfies a set of FDs with a single attribute on the left hand side; the case of general FDs was left open, and we show how our dichotomy provides the missing generalization and thereby settles the open problem.

cs.DB

The Complexity of Computing a Cardinality Repair for Functional Dependencies

For a relation that violates a set of functional dependencies, we consider the task of finding a maximum number of pairwise-consistent tuples, or what is known as a "cardinality repair." We present a polynomial-time algorithm that, for certain fixed relation schemas (with functional dependencies), computes a cardinality repair. Moreover, we prove that on any of the schemas not covered by the algorithm, finding a cardinality repair is, in fact, an NP-hard problem. In particular, we establish a dichotomy in the complexity of computing a cardinality repair, and we present an efficient algorithm to determine whether a given schema belongs to the positive side or the negative side of the dichotomy.

cs.DB