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Domain-aware machine learning (ML) models have been increasingly adopted for accelerating small molecule therapeutic design in the recent years. These models have been enabled by significant advancement in state-of-the-art artificial…

Machine Learning · Computer Science 2021-02-12 Rajendra P. Joshi , Neeraj Kumar

Deep Neural Networks (DNNs), as valuable intellectual property, face unauthorized use. Existing protections, such as digital watermarking, are largely passive; they provide only post-hoc ownership verification and cannot actively prevent…

Cryptography and Security · Computer Science 2025-12-12 Han Yang , Shaofeng Li , Tian Dong , Xiangyu Xu , Guangchi Liu , Zhen Ling

Quantum cellular automata consist in arrays of identical finite-dimensional quantum systems, evolving in discrete-time steps by iterating a unitary operator G. Moreover the global evolution G is required to be causal (it propagates…

Quantum Physics · Physics 2019-09-09 Pablo Arrighi

We study theoretically a new generic scheme of programmable self-assembly of nanoparticles into clusters of desired geometry. The problem is motivated by the feasibility of highly selective DNA-mediated interactions between colloidal…

Soft Condensed Matter · Physics 2009-11-11 Nicholas A. Licata , Alexei V. Tkachenko

We introduce a novel framework of reservoir computing, that is capable of both connectionist machine intelligence and symbolic computation. Cellular automaton is used as the reservoir of dynamical systems. Input is randomly projected onto…

Emerging Technologies · Computer Science 2015-04-27 Ozgur Yilmaz

Physical universality of a cellular automaton was defined by Janzing in 2010 as the ability to implement an arbitrary transformation of spatial patterns. In 2014, Schaeffer gave a construction of a two-dimensional physically universal…

Formal Languages and Automata Theory · Computer Science 2016-02-22 Ville Salo , Ilkka Törmä

We introduce the notion of adaptive synchronisation for pushdown automata, in which there is an external observer who has no knowledge about the current state of the pushdown automaton, but can observe the contents of the stack. The…

Formal Languages and Automata Theory · Computer Science 2021-02-16 A. R. Balasubramanian , K. S. Thejaswini

Molecular biology is a nanotechnology that works--it has worked for billions of years and in an amazing variety of circumstances. At its core is a system for acquiring, processing and communicating information that is universal, from…

Genomics · Quantitative Biology 2016-12-21 Apoorva D. Patel

Self-supervised learning holds promise to revolutionize molecule property prediction - a central task to drug discovery and many more industries - by enabling data efficient learning from scarce experimental data. Despite significant…

Rotary motors play key roles in energy transduction, from macroscale windmills to nanoscale turbines such as ATP synthase in cells. Despite our capabilities to construct engines at many scales, developing functional synthetic turbines at…

Cybercriminals use Return Oriented Programming techniques to attack systems and IoT devices. While defenses have been developed, not all of them are applicable to constrained devices. We present Shakedown, which is a compile-time…

Cryptography and Security · Computer Science 2018-10-12 Fady Copty , Francisco Hernandez , Dov Murik , Olmo Rayón

The vast parallelism, exceptional energy efficiency and extraordinary information inherent in DNA molecules are being explored for computing, data storage and cryptography. DNA cryptography is a emerging field of cryptography. In this paper…

Cryptography and Security · Computer Science 2011-01-14 D. Prabhu , M. Adimoolam

We present a theoretical discussion of a self-assembly scheme which makes it possible to use DNA to uniquely encode the composition and structure of micro- and nanoparticle clusters. These anisotropic DNA-decorated clusters can be further…

Soft Condensed Matter · Physics 2009-11-11 Nicholas A. Licata , Alexei V. Tkachenko

We provide an overview of current approaches to DNA-based storage system design and accompanying synthesis, sequencing and editing methods. We also introduce and analyze a suite of new constrained coding schemes for both archival and random…

Emerging Technologies · Computer Science 2015-07-08 S. M. Hossein Tabatabaei Yazdi , Han Mao Kiah , Eva Ruiz Garcia , Jian Ma , Huimin Zhao , Olgica Milenkovic

Continuous, adaptive learning, the ability to adapt to the environment and keep improving performance, is a hallmark of natural intelligence. Biological organisms excel in acquiring, transferring, and retaining knowledge while adapting to…

Neurons and Cognition · Quantitative Biology 2026-03-03 Jie Mei , Alejandro Rodriguez-Garcia , Daigo Takeuchi , Gabriel Wainstein , Nina Hubig , Yalda Mohsenzadeh , Srikanth Ramaswamy

Machine learning (ML) is revolutionising drug discovery by expediting the prediction of small molecule properties essential for developing new drugs. These properties -- including absorption, distribution, metabolism and excretion (ADME)--…

Machine Learning · Computer Science 2024-08-02 Alex G. C. de Sá , David B. Ascher

Cellular automata have been useful artificial models for exploring how relatively simple rules combined with spatial memory can give rise to complex emergent patterns. Moreover, studying the dynamics of how rules emerge under artificial…

Cellular Automata and Lattice Gases · Physics 2014-07-11 Theodore P. Pavlic , Alyssa M. Adams , Paul C. W. Davies , Sara Imari Walker

DNA sequencing is revolutionising the field of medicine. DNA sequencers, the machines which perform DNA sequencing, have evolved from the size of a fridge to that of a mobile phone over the last two decades. The cost of sequencing a human…

Genomics · Quantitative Biology 2021-01-14 Hasindu Gamaarachchi

Computer simulation of the time evolution in a classical system is a standard numerical method, used in numerous scientific articles in Natural Science. Almost all the simulations are performed by discrete Molecular Dynamics (MD). The…

Classical Physics · Physics 2023-05-18 S. Toxvaerd

In this Ansatz we consider theoretical constructions of RNA polymers into automata, a form of computational structure. The basis for transitions in our automata are plausible RNA enzymes that may perform ligation or cleavage. Limited to…

Quantitative Methods · Quantitative Biology 2022-05-24 Adam J. Svahn , Mikhail Prokopenko