An adaptive prefix-assignment technique for symmetry reduction

This paper presents a technique for symmetry reduction that adaptively assigns a prefix of variables in a system of constraints so that the generated prefix-assignments are pairwise nonisomorphic under the action of the symmetry group of the system. The technique is based on McKay's canonical extension framework [J.~Algorithms 26 (1998), no.~2, 306--324]. Among key features of the technique are (i) adaptability---the prefix sequence can be user-prescribed and truncated for compatibility with the group of symmetries; (ii) parallelizability---prefix-assignments can be processed in parallel independently of each other; (iii) versatility---the method is applicable whenever the group of symmetries can be concisely represented as the automorphism group of a vertex-colored graph; and (iv) implementability---the method can be implemented relying on a canonical labeling map for vertex-colored graphs as the only nontrivial subroutine. To demonstrate the practical applicability of our technique, we have prepared an experimental open-source implementation of the technique and carry out a set of experiments that demonstrate ability to reduce symmetry on hard instances. Furthermore, we demonstrate that the implementation effectively parallelizes to compute clusters with multiple nodes via a message-passing interface.Comment: Updated manuscript submitted for revie

A SAT Solver and Computer Algebra Attack on the Minimum Kochen-Specker Problem

One of the foundational results in quantum mechanics is the Kochen-Specker (KS) theorem, which states that any theory whose predictions agree with quantum mechanics must be contextual, i.e., a quantum observation cannot be understood as revealing a pre-existing value. The theorem hinges on the existence of a mathematical object called a KS vector system. While many KS vector systems are known to exist, the problem of finding the minimum KS vector system has remained stubbornly open for over 55 years, despite significant attempts by leading scientists and mathematicians. In this paper, we present a new method based on a combination of a SAT solver and a computer algebra system (CAS) to address this problem. Our approach improves the lower bound on the minimum number of vectors in a KS system from 22 to 24, and is about 35,000 times more efficient compared to the previous best computational methods. The increase in efficiency derives from the fact we are able to exploit the powerful combinatorial search-with-learning capabilities of a SAT solver together with the isomorph-free exhaustive generation methods of a CAS. The quest for the minimum KS vector system is motivated by myriad applications such as simplifying experimental tests of contextuality, zero-error classical communication, dimension witnessing, and the security of certain quantum cryptographic protocols. To the best of our knowledge, this is the first application of a novel SAT+CAS system to a problem in the realm of quantum foundations

IPASIR-UP: User Propagators for CDCL

Modern SAT solvers are frequently embedded as sub-reasoning engines into more complex tools for addressing problems beyond the Boolean satisfiability problem. Examples include solvers for Satisfiability Modulo Theories (SMT), combinatorial optimization, model enumeration and counting. In such use cases, the SAT solver is often able to provide relevant information beyond the satisfiability answer. Further, domain knowledge of the embedding system (e.g., symmetry properties or theory axioms) can be beneficial for the CDCL search, but cannot be efficiently represented in clausal form. In this paper, we propose a general interface to inspect and influence the internal behaviour of CDCL SAT solvers. Our goal is to capture the most essential functionalities that are sufficient to simplify and improve use cases that require a more fine-grained interaction with the SAT solver than provided via the standard IPASIR interface. For our experiments, we extend CaDiCaL with our interface and evaluate it on two representative use cases: enumerating graphs within the SAT modulo Symmetries framework (SMS), and as the main CDCL(T) SAT engine of the SMT solver cvc5

Algorithms for classification of combinatorial objects

A recurrently occurring problem in combinatorics is the need to completely characterize a finite set of finite objects implicitly defined by a set of constraints. For example, one could ask for a list of all possible ways to schedule a football tournament for twelve teams: every team is to play against every other team during an eleven-round tournament, such that every team plays exactly one game in every round. Such a characterization is called a classification for the objects of interest. Classification is typically conducted up to a notion of structural equivalence (isomorphism) between the objects. For example, one can view two tournament schedules as having the same structure if one can be obtained from the other by renaming the teams and reordering the rounds. This thesis examines algorithms for classification of combinatorial objects up to isomorphism. The thesis consists of five articles – each devoted to a specific family of objects – together with a summary surveying related research and emphasizing the underlying common concepts and techniques, such as backtrack search, isomorphism (viewed through group actions), symmetry, isomorph rejection, and computing isomorphism. From an algorithmic viewpoint the focus of the thesis is practical, with interest on algorithms that perform well in practice and yield new classification results; theoretical properties such as the asymptotic resource usage of the algorithms are not considered. The main result of this thesis is a classification of the Steiner triple systems of order 19. The other results obtained include the nonexistence of a resolvable 2-(15, 5, 4) design, a classification of the one-factorizations of k-regular graphs of order 12 for k ≤ 6 and k = 10, 11, a classification of the near-resolutions of 2-(13, 4, 3) designs together with the associated thirteen-player whist tournaments, and a classification of the Steiner triple systems of order 21 with a nontrivial automorphism group.reviewe

Declarative symbolic pure-logic model checking

Thesis (S.M.)--Massachusetts Institute of Technology, Dept. of Electrical Engineering and Computer Science, 2005.Includes bibliographical references (p. 173-181).Model checking, a technique for findings errors in systems, involves building a formal model that describes possible system behaviors and correctness conditions, and using a tool to search for model behaviors violating correctness properties. Existing model checkers are well-suited for analyzing control-intensive algorithms (e.g. network protocols with simple node state). Many important analyses, however, fall outside the capabilities of existing model checkers. Examples include checking algorithms with complex state, distributed algorithms over all network topologies, and highly declarative models. This thesis addresses the problem of building an efficient model checker that overcomes these limitations. The work builds on Alloy, a relational modeling language. Previous work has defined the language and shown that it can be analyzed by translation to SAT. The primary contributions of this thesis include: a modeling paradigm for describing complex structures in Alloy; significant improvements in scalability of the analyzer; and improvements in usability of the analyzer via addition of a debugger for over constraints. Together, these changes make model-checking practical for important new classes of analyses. While the work was done in the context of Alloy, some techniques generalize to other verification tools.by Ilya A. Shlyakhter.S.M

Automatic testing of software with structurally complex inputs

Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Electrical Engineering and Computer Science, 2005.Includes bibliographical references (p. 123-132).Modern software pervasively uses structurally complex data such as linked data structures. The standard approach to generating test suites for such software, manual generation of the inputs in the suite, is tedious and error-prone. This dissertation proposes a new approach for specifying properties of structurally complex test inputs; presents a technique that automates generation of such inputs; describes the Korat tool that implements this technique for Java; and evaluates the effectiveness of Korat in testing a set of data-structure implementations. Our approach allows the developer to describe the properties of valid test inputs using a familiar implementation language such as Java. Specifically, the user provides an imperative predicate--a piece of code that returns a truth value--that returns true if the input satisfies the required property and false otherwise. Korat implements our technique for solving imperative predicates: given a predicate and a bound on the size of the predicate's inputs, Korat automatically generates the bounded-exhaustive test suite that consists of all inputs, within the given bound, that satisfy the property identified by the predicate. To generate these inputs, Korat systematically searches the bounded input space by executing the predicate on the candidate inputs. Korat does this efficiently by pruning the search based on the predicate's executions and by generating only nonisomorphic inputs. Bounded-exhaustive testing is a methodology for testing the code on all inputs within the given small bound.(cont.) Our experiments on a set of ten linked and array- based data structures show that Korat can efficiently generate bounded-exhaustive test suites from imperative predicates even for very large input spaces. Further, these test suites can achieve high statement, branch, and mutation coverage. The use of our technique for generating structurally complex test inputs also enabled testers in industry to detect faults in real, production-quality applications.by Darko Marinov.Ph.D

A treatment of stereochemistry in computer aided organic synthesis

This thesis describes the author’s contributions to a new stereochemical processing module constructed for the ARChem retrosynthesis program. The purpose of the module is to add the ability to perform enantioselective and diastereoselective retrosynthetic disconnections and generate appropriate precursor molecules. The module uses evidence based rules generated from a large database of literature reactions. Chapter 1 provides an introduction and critical review of the published body of work for computer aided synthesis design. The role of computer perception of key structural features (rings, functions groups etc.) and the construction and use of reaction transforms for generating precursors is discussed. Emphasis is also given to the application of strategies in retrosynthetic analysis. The availability of large reaction databases has enabled a new generation of retrosynthesis design programs to be developed that use automatically generated transforms assembled from published reactions. A brief description of the transform generation method employed by ARChem is given. Chapter 2 describes the algorithms devised by the author for handling the computer recognition and representation of the stereochemical features found in molecule and reaction scheme diagrams. The approach is generalised and uses flexible recognition patterns to transform information found in chemical diagrams into concise stereo descriptors for computer processing. An algorithm for efficiently comparing and classifying pairs of stereo descriptors is described. This algorithm is central for solving the stereochemical constraints in a variety of substructure matching problems addressed in chapter 3. The concise representation of reactions and transform rules as hyperstructure graphs is described. Chapter 3 is concerned with the efficient and reliable detection of stereochemical symmetry in both molecules, reactions and rules. A novel symmetry perception algorithm, based on a constraints satisfaction problem (CSP) solver, is described. The use of a CSP solver to implement an isomorph‐free matching algorithm for stereochemical substructure matching is detailed. The prime function of this algorithm is to seek out unique retron locations in target molecules and then to generate precursor molecules without duplications due to symmetry. Novel algorithms for classifying asymmetric, pseudo‐asymmetric and symmetric stereocentres; meso, centro, and C2 symmetric molecules; and the stereotopicity of trigonal (sp2) centres are described. Chapter 4 introduces and formalises the annotated structural language used to create both retrosynthetic rules and the patterns used for functional group recognition. A novel functional group recognition package is described along with its use to detect important electronic features such as electron‐withdrawing or donating groups and leaving groups. The functional groups and electronic features are used as constraints in retron rules to improve transform relevance. Chapter 5 details the approach taken to design detailed stereoselective and substrate controlled transforms from organised hierarchies of rules. The rules employ a rich set of constraints annotations that concisely describe the keying retrons. The application of the transforms for collating evidence based scoring parameters from published reaction examples is described. A survey of available reaction databases and the techniques for mining stereoselective reactions is demonstrated. A data mining tool was developed for finding the best reputable stereoselective reaction types for coding as transforms. For various reasons it was not possible during the research period to fully integrate this work with the ARChem program. Instead, Chapter 6 introduces a novel one‐step retrosynthesis module to test the developed transforms. The retrosynthesis algorithms use the organisation of the transform rule hierarchy to efficiently locate the best retron matches using all applicable stereoselective transforms. This module was tested using a small set of selected target molecules and the generated routes were ranked using a series of measured parameters including: stereocentre clearance and bond cleavage; example reputation; estimated stereoselectivity with reliability; and evidence of tolerated functional groups. In addition a method for detecting regioselectivity issues is presented. This work presents a number of algorithms using common set and graph theory operations and notations. Appendix A lists the set theory symbols and meanings. Appendix B summarises and defines the common graph theory terminology used throughout this thesis

On the Real-Time Hardware Implementation Feasibility of Joint Radio Resource Management Policies for Heterogeneous Wireless Networks

The study and design of Joint Radio Resource Management (JRRM) techniques is a key and challenging aspect in future heterogeneous wireless systems where different Radio Access Technologies will physically coexist. In these systems, the total available radio resources need to be used in a coordinated way to guarantee adequate satisfaction levels to all users, and maximize the system revenues. In addition to carry out an efficient use of the available radio resources, JRRM algorithms need to exhibit good computational performance to guarantee their future implementation viability. In this context, this paper proposes novel JRRM techniques based on linear programming techniques, and investigates their computational cost when implemented in DSP platforms commonly used in mobile base stations. The obtained results demonstrate the feasibility to implement the proposed JRRM algorithms in future heterogeneous wireless systems