22 papers · ranked by Valyu relevance
Salvador Melendez, Michael P. McGarry
—We analyze the conditions in which offloading computation reduces completion time. We extend the existing literature by deriving an inequality (Eq. 4) that relates computation offloading system parameters to the bits per instruction ratio of a computational job. This ratio is the inverse of the arithmetic intensity.…
Violeta Monasterio, Joel Castro-Mur, Jesús Carro, Alexander V Panfilov
'Alexander V Panfilov'] Cardiac electrophysiological simulations are computationally intensive tasks. The growing complexity of cardiac models, together with the increasing use of large ensembles of models (known as populations of models), make extensive simulation studies unfeasible for regular stand-alone computers.…
János Végh
—Computing uses the general operating model, that data is delivered to the input of the processing element, and after some processing time, the resulting data is delivered to some store. In his classic publication, von Neumann assumed that "in the actually intended vacuum tube interpretation . . . the conduction…
Evan M. Russek, Daniel Acosta‐Kane, Bas van Opheusden, Marcelo G. Mattar + 1 more
Human planning tends to be efficient, focusing on a relatively small number of options when considering future paths. Recent proposals have suggested that this efficiency reflects intelligent deployment of the limited resources available for planning. A prediction of this and related proposals is that when individuals…
Falco C. M. J. M. van Delft, Giulia Ipolitti, Dan V. Nicolau Jr, Ayyappasamy Sudalaiyadum Perumal + 4 more
On-chip network-based computation, using biological agents, is a new hardware-embedded approach which attempts to find solutions to combinatorial problems, in principle, in a shorter time than the fast, but sequential electronic computers. This analytical review starts by describing the underlying mathematical…
János Végh, Ádám József Berki
In all kinds of implementations of computing, whether technological or biological, some material carrier for the information exists, so in real-world implementations, the propagation speed of information cannot exceed the speed of its carrier. Because of this limitation, one must also consider the transfer time between…
János Végh
—Computing science is based on a computing paradigm that is not valid anymore for today's technological conditions. The reason is that the transmission time even inside the processor chip, but especially between the system's components, is not negligible anymore. The paper introduces a quantitative measure for…
Authors not listed
A widely used procedure for obtaining the complete-basis set (CBS) limit of an electronic structure method is extrapolating results from a sequence of correlation-consistent basis sets. A recent study by Xi et al. trained two-point extrapolation schemes against a new extensive dataset using aug-cc-pVXZ (X = D, T, Q, 5…
Bastian Wiederhold, Martin Stemmler, Andreas V.M. Herz
While our senses transmit information at rates exceeding 10^6^ bit/s, high-level cognitive processing is thought to be much slower, on the order of 10 bit/s regardless of the task^1^. It is unclear, though, whether this limit holds when the human mind is challenged. To test how fast one can process abstract…
Davide Cirillo, Alfonso Valencia
Computational problems can be classified according to their algorithmic complexity, which is defined based on how the computational resources needed to solve the problem scale with the problem size. In particular, computationally intractable problems are often solved through heuristics or approximations so to overcome…
Bastian Wiederhold
High-level cognitive processing in human beings is thought to be slow. To test just how fast humans can process abstract knowledge, we analyze information rates associated with performances of top competitors in mental calculation. Even without taking the algorithms to perform the calculations into account, reading the…
János Végh
—Today's computing is told to be based on the classic paradigm, proposed by von Neumann, a three-quarter century ago. However, that paradigm was justified (for the timing relations of) vacuum tubes only. The technological development invalidated the classic paradigm (but not the model!) and led to catastrophic…
Viacheslav Bolnykh, Jógvan Magnus Haugaard Olsen, Simone Meloni, Martin P. Bircher + 3 more
We present a highly scalable DFT-based QM/MM implementation developed within MiMiC, a recently introduced multiscale modeling framework that uses a loose-coupling strategy in conjunction with a multiple-program multiple-data (MPMD) approach. The computation of electrostatic QM/MM interactions is parallelized exploiting…
Andrew S. Johnson, William Winlow
Here we provide evidence that the fundamental basis of nervous communication is derived from a pressure pulse/soliton capable of computation with sufficient temporal precision to overcome any processing errors. Signalling and computing within the nervous system are complex and different phenomena. Action potentials are…
Alan Aspuru-Guzik, Roland Lindh, Markus Reiher
To date, the program for the development of methods and models for atomistic and continuum simulation directed toward chemicals and materials has reached an incredible degree of sophistication and maturity. Currently, one can witness an increasingly rapid emergence of advances in computing, artificial intelligence, and…
Authors not listed
The era of exascale computing presents both exciting opportunities and unique challenges for quantum mechanical simulations. While the transition from petaflops to exascale computing has been marked by a steady increase in computational power, the shift towards heterogeneous architectures, particularly the dominant…
Pavel Pokhilko, Evgeny Epifanovsky, Anna I. Krylov
Using single precision floating point representation reduces the size of data and computation time by a factor of two relative to double precision conventionally used in electronic structure programs. For large-scale calculations, such as those encountered in many-body theories, reduced memory footprint alleviates…
Juan Pablo Franco, Nitin Yadav, Peter Bossaerts, Carsten Murawski
Life presents us with decisions of varying degrees of difficulty. Many of them are NP-hard, that is, they are computationally intractable. Two important questions arise: which properties of decisions drive extreme computational hardness and what are the effects of these properties on human-decision making? Here, we…
Juan P. Franco, Karlo Doroc, Nitin Yadav, Peter Bossaerts + 1 more
The survival of human organisms depends on our ability to solve complex tasks in the face of limited cognitive resources. However, little is known about the factors that drive the complexity of those tasks. Here, building on insights from computational complexity theory, we quantify the computational hardness of…
Zoran Tiganj, Jason A. Cromer, Jefferson E. Roy, Earl K. Miller + 1 more
Cognitive theories suggest that working memory maintains not only the identity of recently-presented stimuli but also a sense of the elapsed time since the stimuli presentation. Previous studies of the neural underpinnings of working memory have focused on sustained firing, which can account for maintenance of the…
Authors not listed
Modeling multimetallic systems efficiently enables faster prediction of desirable chemical properties and design of new materials. This work describes an initial implementation for performing multireference wave function method localized active space self-consistent field (LASSCF) calculations through the use of…
Juan Pablo Franco, Karlo Doroc, Nitin Yadav, Peter Bossaerts + 1 more
'Carsten Murawski'] The survival of human organisms depends on our ability to solve complex tasks in the face of limited cognitive resources. However, little is known about the factors that drive the complexity of those tasks. Here, building on insights from computational complexity theory, we quantify the…