Forum for Science, Industry and Business

Sponsored by:     3M 
Search our Site:

 

Crowdsourcing the phase problem

18.06.2014

Compared with humans, computers have the capacity to solve problems at much greater speed.

There are many problems, however, where computational speed alone is insufficient to find a correct or optimal solution, for example because the parameter “space” cannot be fully searched in a practical time.

In contrast, the human mind can formulate expert knowledge specific for particular problems, providing a capacity to guide more efficient searches, although with more limited processing speed.

The power of the human contribution can be multiplied through the efforts of a greater number of individuals. The term `crowdsourcing', which combines the two domains of human and electronic computing, was coined in 2006 and since then has seen its definition broadened to a wide range of activities involving a network of people.

A challenging problem that might benefit from crowdsourcing is the phase problem in X-ray crystallography. Retrieving the phase information has plagued many scientists for decades when trying to determine the crystal structure of a sample.

In a diffraction experiment, the observed diffraction pattern allows measurement of the amplitudes of the reflection structure factors (as the square root of the intensities) but not their phases. The amplitudes and phases are both needed to reconstruct an electron-density map (by Fourier synthesis) so that a model of the crystallized molecule can be obtained.

There are a number of ways currently scientists try to solve the phase problem, all with varying degrees of success.

Regardless of the particular approach, most attacks on the phase problem can be viewed as having two sub-problems. One concerns how a high-dimensional space (i.e. of phases) can be efficiently searched, while the other concerns how a good solution can be recognized.

Crowdsourcing may be a route to solving these sub-problems [Jorda et al. (2014), Acta Cryst. D70, 1538-1548; doi:10.1107/S1399004714006427], here scientists have developed a game based on a genetic algorithm (a powerful search-optimization technique), where players control the selection mechanism during the evolutionary process (by recognising the good solutions).

The algorithm starts from a population of “individuals”, in this case a map prepared from a random set of phases, and tries to cause the population to evolve towards individuals with better phases based on Darwinian survival of the fittest. Players apply their pattern-recognition capabilities to evaluate the electron-density maps generated from these sets of phases and to select the fittest individuals.

The game called CrowdPhase (http://www.crowdphase.com) was applied to two synthetic low-resolution phasing puzzles and it was shown that players could successfully obtain phase sets in the 30 degree phase error range and corresponding molecular envelopes showing agreement with the low-resolution models.

Successful preliminary studies suggest that with further development the crowdsourcing approach could fill a gap in current crystallographic methods by making it possible to extract meaningful information in cases where limited resolution might otherwise prevent initial phasing.

Jonathan Agbenyega
Business Development Manager, IUCr 

Dr. Jonathan Agbenyega | Eurek Alert!
Further information:
http://www.iucr.org/news/research-news/crowdsourcing-the-phase-problem

Further reports about: Crowdsourcing Crystallography Darwinian X-ray activities algorithm problems structure synthesis synthetic

More articles from Information Technology:

nachricht Superfast fluorescence sets new speed record
27.07.2015 | Duke University

nachricht Two crystals are better than one
22.07.2015 | The Agency for Science, Technology and Research (A*STAR)

All articles from Information Technology >>>

The most recent press releases about innovation >>>

Die letzten 5 Focus-News des innovations-reports im Überblick:

Im Focus: On the crest of the wave: Electronics on a time scale shorter than a cycle of light

Physicists from Regensburg and Marburg, Germany have succeeded in taking a slow-motion movie of speeding electrons in a solid driven by a strong light wave. In the process, they have unraveled a novel quantum phenomenon, which will be reported in the forthcoming edition of Nature.

The advent of ever faster electronics featuring clock rates up to the multiple-gigahertz range has revolutionized our day-to-day life. Researchers and...

Im Focus: Superfast fluorescence sets new speed record

Plasmonic device has speed and efficiency to serve optical computers

Researchers have developed an ultrafast light-emitting device that can flip on and off 90 billion times a second and could form the basis of optical computing.

Im Focus: Unlocking the rice immune system

Joint BioEnergy Institute study identifies bacterial protein that is key to protecting rice against bacterial blight

A bacterial signal that when recognized by rice plants enables the plants to resist a devastating blight disease has been identified by a multi-national team...

Im Focus: Smarter window materials can control light and energy

Researchers in the Cockrell School of Engineering at The University of Texas at Austin are one step closer to delivering smart windows with a new level of energy efficiency, engineering materials that allow windows to reveal light without transferring heat and, conversely, to block light while allowing heat transmission, as described in two new research papers.

By allowing indoor occupants to more precisely control the energy and sunlight passing through a window, the new materials could significantly reduce costs for...

Im Focus: Simulations lead to design of near-frictionless material

Argonne scientists used Mira to identify and improve a new mechanism for eliminating friction, which fed into the development of a hybrid material that exhibited superlubricity at the macroscale for the first time. Argonne Leadership Computing Facility (ALCF) researchers helped enable the groundbreaking simulations by overcoming a performance bottleneck that doubled the speed of the team's code.

While reviewing the simulation results of a promising new lubricant material, Argonne researcher Sanket Deshmukh stumbled upon a phenomenon that had never been...

All Focus news of the innovation-report >>>

Anzeige

Anzeige

Event News

3rd Euro Bio-inspired - International Conference and Exhibition on Bio-inspired Materials

23.07.2015 | Event News

Clash of Realities – International Conference on the Art, Technology and Theory of Digital Games

10.07.2015 | Event News

World Conference on Regenerative Medicine in Leipzig: Last chance to submit abstracts until 2 July

25.06.2015 | Event News

 
Latest News

Surprising similarity in fly and mouse motion vision

30.07.2015 | Life Sciences

Efficient Infrared Heat Saves Time and Energy in the Manufacture of Motor Vehicle Carpets

30.07.2015 | Trade Fair News

Roentgen prize goes to Dr Eleftherios Goulielmakis

30.07.2015 | Awards Funding

VideoLinks
B2B-VideoLinks
More VideoLinks >>>