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The pseudoinverse of a matrix, a generalized notion of the inverse, is of fundamental importance in linear algebra and, thereby, in many different fields. Despite its proven existence, an algorithmic approach is typically necessary to…

Numerical Analysis · Mathematics 2026-01-21 Holger Boche , Adalbert Fono , Gitta Kutyniok

This work studies the problem of constructing capacity-achieving codes from an algorithmic perspective. Specifically, we prove that there exists a Turing machine which, given a discrete memoryless channel $p_{Y|X}$, a target rate $R$ less…

Information Theory · Computer Science 2025-11-06 Angelos Gkekas , Nikos A. Mitsiou , Ioannis Souldatos , George K. Karagiannidis

We introduce the notion of universal memcomputing machines (UMMs): a class of brain-inspired general-purpose computing machines based on systems with memory, whereby processing and storing of information occur on the same physical location.…

Neural and Evolutionary Computing · Computer Science 2015-12-17 Fabio L. Traversa , Massimiliano Di Ventra

We present a perspective on molecular machine learning (ML) in the field of chemical process engineering. Recently, molecular ML has demonstrated great potential in (i) providing highly accurate predictions for properties of pure components…

Chemical Physics · Physics 2025-09-01 Jan G. Rittig , Manuel Dahmen , Martin Grohe , Philippe Schwaller , Alexander Mitsos

Recent developments in quantum hardware indicate that systems featuring more than 50 physical qubits are within reach. At this scale, classical simulation will no longer be feasible and there is a possibility that such quantum devices may…

Quantum Physics · Physics 2018-03-06 Mathias Soeken , Thomas Häner , Martin Roetteler

Fixed point iterations are known to generate chaos, for some values in their parameter range. It is an established fact that Turing Machines are fixed point iterations. However, as these Machines operate in integer space, the standard…

Computational Complexity · Computer Science 2015-07-06 Nabarun Mondal , Partha P. Ghosh

Consider a universal Turing machine that produces a partial or total function (or a binary stream), based on the answers to the binary queries that it makes during the computation. We study the probability that the machine will produce a…

Computational Complexity · Computer Science 2017-04-28 George Barmpalias , Douglas Cenzer , Christopher P. Porter

The advent of hybrid computing platforms consisting of quantum processing units integrated with conventional high-performance computing brings new opportunities for algorithm design. By strategically offloading select portions of the…

From the point of view of a programmer, the robopsychology is a synonym for the activity is done by developers to implement their machine learning applications. This robopsychological approach raises some fundamental theoretical questions…

Artificial Intelligence · Computer Science 2016-06-24 Norbert Bátfai

We study the computational complexity theory of smooth, finite-dimensional dynamical systems. Building off of previous work, we give definitions for what it means for a smooth dynamical system to simulate a Turing machine. We then show that…

Computational Complexity · Computer Science 2024-09-19 Jordan Cotler , Semon Rezchikov

The intersection of quantum computing and quantum chemistry represents a promising frontier for achieving quantum utility in domains of both scientific and societal relevance. Owing to the exponential growth of classical resource…

Over the past decade, Artificial Intelligence has significantly advanced, mostly driven by large-scale neural approaches. However, in the chemical process industry, where safety is critical, these methods are often unsuitable due to their…

Machine Learning · Computer Science 2026-03-24 Julien Amblard , Niklas Groll , Matthew Tait , Mark Law , Gürkan Sin , Alessandra Russo

Quantum computing offers the promise of revolutionizing quantum chemistry by enabling the solution of chemical problems for substantially less computational cost. While most demonstrations of quantum computation to date have focused on…

Chemical Physics · Physics 2026-05-13 Alan Bidart , Prateek Vaish , Tilas Kabengele , Yaoqi Pang , Yuan Liu , Brenda M. Rubenstein

We use the benefits and components of classical computers every day. However, there are many types of problems which, as they grow in size, their computational complexity grows larger than classical computers will ever be able to solve.…

In the last few years, theoretical study of quantum systems serving as computational devices has achieved tremendous progress. We now have strong theoretical evidence that quantum computers, if built, might be used as a dramatically…

Quantum Physics · Physics 2016-11-03 Dorit Aharonov

Hypercomputation or super-Turing computation is a ``computation'' that transcends the limit imposed by Turing's model of computability. The field still faces some basic questions, technical (can we mathematically and/or physically build a…

Quantum Physics · Physics 2007-05-23 Vadim A. Adamyan , Cristian S. Calude , Boris S. Pavlov

The Turing completeness of continuous chemical reaction networks (CRNs) states that any computable real function can be computed by a continuous CRN on a finite set of molecular species, possibly restricted to elementary reactions, i.e.…

Molecular Networks · Quantitative Biology 2022-06-22 Mathieu Hemery , François Fages

Classical programming languages cannot model essential elements of complex systems such as true random number generation. This paper develops a formal programming language called the lambda-q calculus that addresses the fundamental…

Quantum Physics · Physics 2007-05-23 Philip Maymin

While concepts and tools from Theoretical Computer Science are regularly applied to, and significantly support, software development for discrete problems, Numerical Engineering largely employs recipes and methods whose correctness and…

Computational Complexity · Computer Science 2018-01-23 Akitoshi Kawamura , Martin Ziegler

We contribute results for a set of fundamental problems in the context of programmable matter by presenting algorithmic methods for evaluating and manipulating a collective of particles by a finite automaton that can neither store…

Data Structures and Algorithms · Computer Science 2018-10-16 Sándor P. Fekete , Robert Gmyr , Sabrina Hugo , Phillip Keldenich , Christian Scheffer , Arne Schmidt
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