5,897 research outputs found
"Going back to our roots": second generation biocomputing
Researchers in the field of biocomputing have, for many years, successfully
"harvested and exploited" the natural world for inspiration in developing
systems that are robust, adaptable and capable of generating novel and even
"creative" solutions to human-defined problems. However, in this position paper
we argue that the time has now come for a reassessment of how we exploit
biology to generate new computational systems. Previous solutions (the "first
generation" of biocomputing techniques), whilst reasonably effective, are crude
analogues of actual biological systems. We believe that a new, inherently
inter-disciplinary approach is needed for the development of the emerging
"second generation" of bio-inspired methods. This new modus operandi will
require much closer interaction between the engineering and life sciences
communities, as well as a bidirectional flow of concepts, applications and
expertise. We support our argument by examining, in this new light, three
existing areas of biocomputing (genetic programming, artificial immune systems
and evolvable hardware), as well as an emerging area (natural genetic
engineering) which may provide useful pointers as to the way forward.Comment: Submitted to the International Journal of Unconventional Computin
Soft Computing Techiniques for the Protein Folding Problem on High Performance Computing Architectures
The protein-folding problem has been extensively studied during the last
fifty years. The understanding of the dynamics of global shape of a protein and the influence
on its biological function can help us to discover new and more effective
drugs to deal with diseases of pharmacological relevance. Different computational approaches
have been developed by different researchers in order to foresee the threedimensional
arrangement of atoms of proteins from their sequences. However, the
computational complexity of this problem makes mandatory the search for new models,
novel algorithmic strategies and hardware platforms that provide solutions in a
reasonable time frame. We present in this revision work the past and last tendencies
regarding protein folding simulations from both perspectives; hardware and software.
Of particular interest to us are both the use of inexact solutions to this computationally hard problem as
well as which hardware platforms have been used for running this kind of Soft Computing techniques.This work is jointly supported by the FundaciónSéneca (Agencia Regional de Ciencia y Tecnología, Región de Murcia) under grants 15290/PI/2010 and 18946/JLI/13, by the Spanish MEC and European Commission FEDER under grant with reference TEC2012-37945-C02-02 and TIN2012-31345, by the Nils Coordinated Mobility under grant 012-ABEL-CM-2014A, in part financed by the European Regional Development Fund (ERDF). We also thank NVIDIA for hardware donation within UCAM GPU educational and research centers.Ingeniería, Industria y Construcció
Digital Ecosystems: Ecosystem-Oriented Architectures
We view Digital Ecosystems to be the digital counterparts of biological
ecosystems. Here, we are concerned with the creation of these Digital
Ecosystems, exploiting the self-organising properties of biological ecosystems
to evolve high-level software applications. Therefore, we created the Digital
Ecosystem, a novel optimisation technique inspired by biological ecosystems,
where the optimisation works at two levels: a first optimisation, migration of
agents which are distributed in a decentralised peer-to-peer network, operating
continuously in time; this process feeds a second optimisation based on
evolutionary computing that operates locally on single peers and is aimed at
finding solutions to satisfy locally relevant constraints. The Digital
Ecosystem was then measured experimentally through simulations, with measures
originating from theoretical ecology, evaluating its likeness to biological
ecosystems. This included its responsiveness to requests for applications from
the user base, as a measure of the ecological succession (ecosystem maturity).
Overall, we have advanced the understanding of Digital Ecosystems, creating
Ecosystem-Oriented Architectures where the word ecosystem is more than just a
metaphor.Comment: 39 pages, 26 figures, journa
Complexity, Emergent Systems and Complex Biological Systems:\ud Complex Systems Theory and Biodynamics. [Edited book by I.C. Baianu, with listed contributors (2011)]
An overview is presented of System dynamics, the study of the behaviour of complex systems, Dynamical system in mathematics Dynamic programming in computer science and control theory, Complex systems biology, Neurodynamics and Psychodynamics.\u
AI in drug discovery and its clinical relevance
The COVID-19 pandemic has emphasized the need for novel drug discovery process. However, the journey from conceptualizing a drug to its eventual implementation in clinical settings is a long, complex, and expensive process, with many potential points of failure. Over the past decade, a vast growth in medical information has coincided with advances in computational hardware (cloud computing, GPUs, and TPUs) and the rise of deep learning. Medical data generated from large molecular screening profiles, personal health or pathology records, and public health organizations could benefit from analysis by Artificial Intelligence (AI) approaches to speed up and prevent failures in the drug discovery pipeline. We present applications of AI at various stages of drug discovery pipelines, including the inherently computational approaches of de novo design and prediction of a drug's likely properties. Open-source databases and AI-based software tools that facilitate drug design are discussed along with their associated problems of molecule representation, data collection, complexity, labeling, and disparities among labels. How contemporary AI methods, such as graph neural networks, reinforcement learning, and generated models, along with structure-based methods, (i.e., molecular dynamics simulations and molecular docking) can contribute to drug discovery applications and analysis of drug responses is also explored. Finally, recent developments and investments in AI-based start-up companies for biotechnology, drug design and their current progress, hopes and promotions are discussed in this article.
Other InformationPublished in:HeliyonLicense: https://creativecommons.org/licenses/by/4.0/See article on publisher's website: https://doi.org/10.1016/j.heliyon.2023.e17575 </p
A survey of statistical network models
Networks are ubiquitous in science and have become a focal point for
discussion in everyday life. Formal statistical models for the analysis of
network data have emerged as a major topic of interest in diverse areas of
study, and most of these involve a form of graphical representation.
Probability models on graphs date back to 1959. Along with empirical studies in
social psychology and sociology from the 1960s, these early works generated an
active network community and a substantial literature in the 1970s. This effort
moved into the statistical literature in the late 1970s and 1980s, and the past
decade has seen a burgeoning network literature in statistical physics and
computer science. The growth of the World Wide Web and the emergence of online
networking communities such as Facebook, MySpace, and LinkedIn, and a host of
more specialized professional network communities has intensified interest in
the study of networks and network data. Our goal in this review is to provide
the reader with an entry point to this burgeoning literature. We begin with an
overview of the historical development of statistical network modeling and then
we introduce a number of examples that have been studied in the network
literature. Our subsequent discussion focuses on a number of prominent static
and dynamic network models and their interconnections. We emphasize formal
model descriptions, and pay special attention to the interpretation of
parameters and their estimation. We end with a description of some open
problems and challenges for machine learning and statistics.Comment: 96 pages, 14 figures, 333 reference
Behavior finding: Morphogenetic Designs Shaped by Function
Evolution has shaped an incredible diversity of multicellular living organisms, whose complex forms are self-made through a robust developmental process. This fundamental combination of biological evolution and development has served as an inspiration for novel engineering design methodologies, with the goal to overcome the scalability problems suffered by classical top-down approaches. Top-down methodologies are based on the manual decomposition of the design into modular, independent subunits. In contrast, recent computational morphogenetic techniques have shown that they were able to automatically generate truly complex innovative designs. Algorithms based on evolutionary computation and artificial development have been proposed to automatically design both the structures, within certain constraints, and the controllers that optimize their function. However, the driving force of biological evolution does not resemble an enumeration of design requirements, but much rather relies on the interaction of organisms within the environment. Similarly, controllers do not evolve nor develop separately, but are woven into the organism’s morphology. In this chapter, we discuss evolutionary morphogenetic algorithms inspired by these important aspects of biological evolution. The proposed methodologies could contribute to the automation of processes that design “organic” structures, whose morphologies and controllers are intended to solve a functional problem. The performance of the algorithms is tested on a class of optimization problems that we call behavior-finding. These challenges are not explicitly based on morphology or controller constraints, but only on the solving abilities and efficacy of the design. Our results show that morphogenetic algorithms are well suited to behavior-finding
Investigating biocomplexity through the agent-based paradigm.
Capturing the dynamism that pervades biological systems requires a computational approach that can accommodate both the continuous features of the system environment as well as the flexible and heterogeneous nature of component interactions. This presents a serious challenge for the more traditional mathematical approaches that assume component homogeneity to relate system observables using mathematical equations. While the homogeneity condition does not lead to loss of accuracy while simulating various continua, it fails to offer detailed solutions when applied to systems with dynamically interacting heterogeneous components. As the functionality and architecture of most biological systems is a product of multi-faceted individual interactions at the sub-system level, continuum models rarely offer much beyond qualitative similarity. Agent-based modelling is a class of algorithmic computational approaches that rely on interactions between Turing-complete finite-state machines--or agents--to simulate, from the bottom-up, macroscopic properties of a system. In recognizing the heterogeneity condition, they offer suitable ontologies to the system components being modelled, thereby succeeding where their continuum counterparts tend to struggle. Furthermore, being inherently hierarchical, they are quite amenable to coupling with other computational paradigms. The integration of any agent-based framework with continuum models is arguably the most elegant and precise way of representing biological systems. Although in its nascence, agent-based modelling has been utilized to model biological complexity across a broad range of biological scales (from cells to societies). In this article, we explore the reasons that make agent-based modelling the most precise approach to model biological systems that tend to be non-linear and complex
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