Quantum computers can search rapidly by using almost any transformation

A quantum computer has a clear advantage over a classical computer for exhaustive search. The quantum mechanical algorithm for exhaustive search was originally derived by using subtle properties of a particular quantum mechanical operation called the Walsh-Hadamard (W-H) transform. This paper shows that this algorithm can be implemented by replacing the W-H transform by almost any quantum mechanical operation. This leads to several new applications where it improves the number of steps by a square-root. It also broadens the scope for implementation since it demonstrates quantum mechanical algorithms that can readily adapt to available technology.Comment: This paper is an adapted version of quant-ph/9711043. It has been modified to make it more readable for physicists. 9 pages, postscrip

Quantum search on structured problems

This paper shows how a basic property of unitary transformations can be used for meaningful computations. This approach immediately leads to search-type applications, where it improves the number of steps by a square-root - a simple minded search that takes N steps, can be improved to O(sqrt(N)) steps. The quantum search algorithm is one of several immediate consequences of this framework. Several novel search-related applications are presented.Comment: To be presented at the 1st NASA QCQC conference in Palm Springs, California, Feb. 17-20, '98. 12 pages, postscrip

Exploration of Reaction Pathways and Chemical Transformation Networks

For the investigation of chemical reaction networks, the identification of all relevant intermediates and elementary reactions is mandatory. Many algorithmic approaches exist that perform explorations efficiently and automatedly. These approaches differ in their application range, the level of completeness of the exploration, as well as the amount of heuristics and human intervention required. Here, we describe and compare the different approaches based on these criteria. Future directions leveraging the strengths of chemical heuristics, human interaction, and physical rigor are discussed.Comment: 48 pages, 4 figure

Quantum machine learning: a classical perspective

Recently, increased computational power and data availability, as well as algorithmic advances, have led machine learning techniques to impressive results in regression, classification, data-generation and reinforcement learning tasks. Despite these successes, the proximity to the physical limits of chip fabrication alongside the increasing size of datasets are motivating a growing number of researchers to explore the possibility of harnessing the power of quantum computation to speed-up classical machine learning algorithms. Here we review the literature in quantum machine learning and discuss perspectives for a mixed readership of classical machine learning and quantum computation experts. Particular emphasis will be placed on clarifying the limitations of quantum algorithms, how they compare with their best classical counterparts and why quantum resources are expected to provide advantages for learning problems. Learning in the presence of noise and certain computationally hard problems in machine learning are identified as promising directions for the field. Practical questions, like how to upload classical data into quantum form, will also be addressed.Comment: v3 33 pages; typos corrected and references adde