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Abstract Background The ability to compare RNA secondary structures is important in understanding their biological function and for grouping similar organisms into families by looking at evolutionarily conserved sequences such as 16S rRNA. Most comparison methods and benchmarks in the literature focus on pseudoknot-free structures due to the difficulty of mapping pseudoknots in classical tree representations. Some approaches exist that permit to cluster pseudoknotted RNAs but there is not a general framework for evaluating their performance. Results We introduce an evaluation framework based on a similarity/dissimilarity measure obtained by a comparison method and agglomerative clustering. Their combination automatically partition a set of molecules into groups. To illustrate the framework we define and make available a benchmark of pseudoknotted (16S and 23S) and pseudoknot-free (5S) rRNA secondary structures belonging to Archaea, Bacteria and Eukaryota. We also consider five different comparison methods from the literature that are able to manage pseudoknots. For each method we clusterize the molecules in the benchmark to obtain the taxa at the rank phylum according to the European Nucleotide Archive curated taxonomy. We compute appropriate metrics for each method and we compare their suitability to reconstruct the taxa.

Abstract Background RNA secondary structure comparison is a fundamental task for several studies, among which are RNA structure prediction and evolution. The comparison can currently be done efficiently only for pseudoknot-free structures due to their inherent tree representation. Results In this work, we introduce an algebraic language to represent RNA secondary structures with arbitrary pseudoknots. Each structure is associated with a unique algebraic RNA tree that is derived from a tree grammar having concatenation, nesting and crossing as operators. From an algebraic RNA tree, an abstraction is defined in which the primary structure is neglected. The resulting structural RNA tree allows us to define a new measure of similarity calculated exploiting classical tree alignment. Conclusions The tree grammar with its operators permit to uniquely represent any RNA secondary structure as a tree. Structural RNA trees allow us to perform comparison of RNA secondary structures with arbitrary pseudoknots without taking into account the primary structure.

Abstract Objective An innovative method based on topological data analysis is introduced for classifying EEG recordings of patients affected by epilepsy. We construct a topological space from a collection of EEGs signals using Persistent Homology; then, we analyse the space by Persistent entropy, a global topological feature, in order to classify healthy and epileptic signals. Results The performance of the resulting one-feature-based linear topological classifier is tested by analysing the Physionet dataset. The quality of classification is evaluated in terms of the Area Under Curve (AUC) of the receiver operating characteristic curve. It is shown that the linear topological classifier has an AUC equal to $$97.2\%$$ 97.2% while the performance of a classifier based on Sample Entropy has an AUC equal to 62.0%.

We propose a new approach for modelling the process of RNA folding as a graph transformation guided by the global value of free energy. Since the folding process evolves towards a configuration in which the free energy is minimal, the global behaviour resembles the one of a self-adaptive system. Each RNA configuration is a graph and the evolution of configurations is constrained by precise rules that can be described by a graph grammar.

In this paper, we propose a methodology for deriving a model of a complex system by exploiting the information extracted from topological data analysis. Central to our approach is the S[B] paradigm in which a complex system is represented by a two-level model. One level, the structural S one, is derived using the newly-introduced quantitative concept of persistent entropy, and it is described by a persistent entropy automaton. The other level, the behavioral B one, is characterized by a network of interacting computational agents. The presented methodology is applied to a real case study, the idiotypic network of the mammalian immune system.

This work introduces a general multi-level model for self-adaptive systems. A self-adaptive system is seen as composed by two levels: the lower level describing the actual behaviour of the system and the upper level accounting for the dynamically changing environmental constraints on the system. In order to keep our description as general as possible, the lower level is modelled as a state machine and the upper level as a second-order state machine whose states have associated formulas over observable variables of the lower level. Thus, each state of the second-order machine identifies the set of lower-level states satisfying the constraints. Adaptation is triggered when a second-order transition is performed; this means that the current system no longer can satisfy the current high-level constraints and, thus, it has to adapt its behaviour by reaching a state that meets the new constraints. The semantics of the multi-level system is given by a flattened transition system that can be statically checked in order to prove the correctness of the adaptation model. To this aim we formalize two concepts of weak and strong adaptability providing both a relational and a logical characterization. We report that this work gives a formal computational characterization of multi-level self-adaptive systems, evidencing the important role that (theoretical) computer science could play in the emerging science of complex systems.

Many biological phenomena are inherently multiscale, i.e. they are characterized by interactions involving different spatial and temporal scales simultaneously. Though several approaches have been proposed to provide "multilayer" models, only Complex Automata, derived from Cellular Automata, naturally embed spatial information and realize multiscaling with well-established inter-scale integration schemas. Spatial P systems, a variant of P systems in which a more geometric concept of space has been added, have several characteristics in common with Cellular Automata. We propose such a formalism as a basis to rephrase the Complex Automata multiscaling approach and, in this perspective, provide a 2-scale Spatial P system describing bone remodelling. The proposed model not only results to be highly faithful and expressive in a multiscale scenario, but also highlights the need of a deep and formal expressiveness study involving Complex Automata, Spatial P systems and other promising multiscale approaches, such as our shape-based one already resulted to be highly faithful.

We define an individual-based probabilistic model of a sole (Solea solea) behaviour. The individual model is given in terms of an Extended Probabilistic Discrete Timed Automaton (EPDTA), a new formalism that is introduced in the paper and that is shown to be interpretable as a Markov decision process. A given EPDTA model can be probabilistically model-checked by giving a suitable translation into syntax accepted by existing model-checkers. In order to simulate the dynamics of a given population of soles in different environmental scenarios, an agent-based simulation environment is defined in which each agent implements the behaviour of the given EPDTA model. By varying the probabilities and the characteristic functions embedded in the EPDTA model it is possible to represent different scenarios and to tune the model itself by comparing the results of the simulations with real data about the sole stock in the North Adriatic sea, available from the recent project SoleMon. The simulator is presented and made available for its adaptation to other species.