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Record W4230939127 · doi:10.26434/chemrxiv.10250897.v1

A Molecular Computing Approach to Solving Optimization Problems via Programmable Microdroplet Arrays

2019· preprint· en· W4230939127 on OpenAlexaff
Si Yue Guo, Pascal Friederich, Yudong Cao, Tony Wu, Christopher J. Forman, Douglas Mendoza, Matthias Degroote, Andrew C. Cavell, Veronica K. Krasecki, Riley J. Hickman, Abhishek Sharma, Leroy Cronin, Nathan C. Gianneschi, Randall H. Goldsmith, Alán Aspuru‐Guzik

Bibliographic record

VenueChemRxiv · 2019
Typepreprint
Languageen
FieldEngineering
TopicMolecular Junctions and Nanostructures
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsSimulated annealingComputationComputer scienceSatisfiabilityHamiltonian (control theory)Unconventional computingIsing modelBoolean satisfiability problemTheoretical computer scienceComputational scienceStatistical physicsAlgorithmMathematical optimizationMathematicsPhysics

Abstract

fetched live from OpenAlex

The search for novel forms of computing that show advantages as alternatives to the dominant von-Neuman model-based computing is important as it will enable different classes of problems to be solved. By using droplets and room-temperature processes, molecular computing is a promising research direction with potential biocompatibility and cost advantages. In this work, we present a new approach for computation using a network of chemical reactions taking place within an array of spatially localized droplets whose contents represent bits of information. Combinatorial optimization problems are mapped to an Ising Hamiltonian and encoded in the form of intra- and inter- droplet interactions. The problem is solved by initiating the chemical reactions within the droplets and allowing the system to reach a steady-state; in effect, we are annealing the effective spin system to its ground state. We propose two implementations of the idea, which we ordered in terms of increasing complexity. First, we introduce a hybrid classical-molecular computer where droplet properties are measured and fed into a classical computer. Based on the given optimization problem, the classical computer then directs further reactions via optical or electrochemical inputs. A simulated model of the hybrid classical-molecular computer is used to solve boolean satisfiability and a lattice protein model. Second, we propose architectures for purely molecular computers that rely on pre-programmed nearest-neighbour inter-droplet communication via energy or mass transfer.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Methods · Consensus signal: Methods
Teacher disagreement score0.003
Threshold uncertainty score0.009

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.001
Scholarly communication0.0010.001
Open science0.0010.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0030.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.008
GPT teacher head0.192
Teacher spread0.184 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreMethods

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations1
Published2019
Admission routes1
Has abstractyes

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