Efficient Linked List Ranking Algorithms and Parentheses Matching as a New Strategy for Parallel Algorithm Design

The goal of a parallel algorithm is to solve a single problem using multiple processors working together and to do so in an efficient manner. In this regard, there is a need to categorize strategies in order to solve broad classes of problems with similar structures and requirements. In this dissertation, two parallel algorithm design strategies are considered: linked list ranking and parentheses matching

Succinct Representations of Permutations and Functions

We investigate the problem of succinctly representing an arbitrary permutation, \pi, on {0,...,n-1} so that \pi^k(i) can be computed quickly for any i and any (positive or negative) integer power k. A representation taking (1+\epsilon) n lg n + O(1) bits suffices to compute arbitrary powers in constant time, for any positive constant \epsilon <= 1. A representation taking the optimal \ceil{\lg n!} + o(n) bits can be used to compute arbitrary powers in O(lg n / lg lg n) time. We then consider the more general problem of succinctly representing an arbitrary function, f: [n] \rightarrow [n] so that f^k(i) can be computed quickly for any i and any integer power k. We give a representation that takes (1+\epsilon) n lg n + O(1) bits, for any positive constant \epsilon <= 1, and computes arbitrary positive powers in constant time. It can also be used to compute f^k(i), for any negative integer k, in optimal O(1+|f^k(i)|) time. We place emphasis on the redundancy, or the space beyond the information-theoretic lower bound that the data structure uses in order to support operations efficiently. A number of lower bounds have recently been shown on the redundancy of data structures. These lower bounds confirm the space-time optimality of some of our solutions. Furthermore, the redundancy of one of our structures "surpasses" a recent lower bound by Golynski [Golynski, SODA 2009], thus demonstrating the limitations of this lower bound.Comment: Preliminary versions of these results have appeared in the Proceedings of ICALP 2003 and 2004. However, all results in this version are improved over the earlier conference versio

Data Structures for Efficient String Algorithms

This thesis deals with data structures that are mostly useful in the area of string matching and string mining. Our main result is an O(n)-time preprocessing scheme for an array of n numbers such that subsequent queries asking for the position of a minimum element in a specified interval can be answered in constant time (so-called RMQs for Range Minimum Queries). The space for this data structure is 2n+o(n) bits, which is shown to be asymptotically optimal in a general setting. This improves all previous results on this problem. The main techniques for deriving this result rely on combinatorial properties of arrays and so-called Cartesian Trees. For compressible input arrays we show that further space can be saved, while not affecting the time bounds. For the two-dimensional variant of the RMQ-problem we give a preprocessing scheme with quasi-optimal time bounds, but with an asymptotic increase in space consumption of a factor of log(n). It is well known that algorithms for answering RMQs in constant time are useful for many different algorithmic tasks (e.g., the computation of lowest common ancestors in trees); in the second part of this thesis we give several new applications of the RMQ-problem. We show that our preprocessing scheme for RMQ (and a variant thereof) leads to improvements in the space- and time-consumption of the Enhanced Suffix Array, a collection of arrays that can be used for many tasks in pattern matching. In particular, we will see that in conjunction with the suffix- and LCP-array 2n+o(n) bits of additional space (coming from our RMQ-scheme) are sufficient to find all occ occurrences of a (usually short) pattern of length m in a (usually long) text of length n in O(m*s+occ) time, where s denotes the size of the alphabet. This is certainly optimal if the size of the alphabet is constant; for non-constant alphabets we can improve this to O(m*log(s)+occ) locating time, replacing our original scheme with a data structure of size approximately 2.54n bits. Again by using RMQs, we then show how to solve frequency-related string mining tasks in optimal time. In a final chapter we propose a space- and time-optimal algorithm for computing suffix arrays on texts that are logically divided into words, if one is just interested in finding all word-aligned occurrences of a pattern. Apart from the theoretical improvements made in this thesis, most of our algorithms are also of practical value; we underline this fact by empirical tests and comparisons on real-word problem instances. In most cases our algorithms outperform previous approaches by all means

Semi-Supervised Named Entity Recognition:\ud Learning to Recognize 100 Entity Types with Little Supervision\ud

Named Entity Recognition (NER) aims to extract and to classify rigid designators in text such as proper names, biological species, and temporal expressions. There has been growing interest in this field of research since the early 1990s. In this thesis, we document a trend moving away from handcrafted rules, and towards machine learning approaches. Still, recent machine learning approaches have a problem with annotated data availability, which is a serious shortcoming in building and maintaining large-scale NER systems. \ud \ud In this thesis, we present an NER system built with very little supervision. Human supervision is indeed limited to listing a few examples of each named entity (NE) type. First, we introduce a proof-of-concept semi-supervised system that can recognize four NE types. Then, we expand its capacities by improving key technologies, and we apply the system to an entire hierarchy comprised of 100 NE types. \ud \ud Our work makes the following contributions: the creation of a proof-of-concept semi-supervised NER system; the demonstration of an innovative noise filtering technique for generating NE lists; the validation of a strategy for learning disambiguation rules using automatically identified, unambiguous NEs; and finally, the development of an acronym detection algorithm, thus solving a rare but very difficult problem in alias resolution. \ud \ud We believe semi-supervised learning techniques are about to break new ground in the machine learning community. In this thesis, we show that limited supervision can build complete NER systems. On standard evaluation corpora, we report performances that compare to baseline supervised systems in the task of annotating NEs in texts. \u

SELFIES and the future of molecular string representations

Artificial intelligence (AI) and machine learning (ML) are expanding in popularity for broad applications to challenging tasks in chemistry and materials science. Examples include the prediction of properties, the discovery of new reaction pathways, or the design of new molecules. The machine needs to read and write fluently in a chemical language for each of these tasks. Strings are a common tool to represent molecular graphs, and the most popular molecular string representation, SMILES, has powered cheminformatics since the late 1980s. However, in the context of AI and ML in chemistry, SMILES has several shortcomings -- most pertinently, most combinations of symbols lead to invalid results with no valid chemical interpretation. To overcome this issue, a new language for molecules was introduced in 2020 that guarantees 100\% robustness: SELFIES (SELF-referencIng Embedded Strings). SELFIES has since simplified and enabled numerous new applications in chemistry. In this manuscript, we look to the future and discuss molecular string representations, along with their respective opportunities and challenges. We propose 16 concrete Future Projects for robust molecular representations. These involve the extension toward new chemical domains, exciting questions at the interface of AI and robust languages and interpretability for both humans and machines. We hope that these proposals will inspire several follow-up works exploiting the full potential of molecular string representations for the future of AI in chemistry and materials science.Comment: 34 pages, 15 figures, comments and suggestions for additional references are welcome