Toward a multilevel representation of protein molecules: comparative approaches to the aggregation/folding propensity problem

This paper builds upon the fundamental work of Niwa et al. [34], which provides the unique possibility to analyze the relative aggregation/folding propensity of the elements of the entire Escherichia coli (E. coli) proteome in a cell-free standardized microenvironment. The hardness of the problem comes from the superposition between the driving forces of intra- and inter-molecule interactions and it is mirrored by the evidences of shift from folding to aggregation phenotypes by single-point mutations [10]. Here we apply several state-of-the-art classification methods coming from the field of structural pattern recognition, with the aim to compare different representations of the same proteins gathered from the Niwa et al. data base; such representations include sequences and labeled (contact) graphs enriched with chemico-physical attributes. By this comparison, we are able to identify also some interesting general properties of proteins. Notably, (i) we suggest a threshold around 250 residues discriminating "easily foldable" from "hardly foldable" molecules consistent with other independent experiments, and (ii) we highlight the relevance of contact graph spectra for folding behavior discrimination and characterization of the E. coli solubility data. The soundness of the experimental results presented in this paper is proved by the statistically relevant relationships discovered among the chemico-physical description of proteins and the developed cost matrix of substitution used in the various discrimination systems.Comment: 17 pages, 3 figures, 46 reference

On Cognitive Preferences and the Plausibility of Rule-based Models

It is conventional wisdom in machine learning and data mining that logical models such as rule sets are more interpretable than other models, and that among such rule-based models, simpler models are more interpretable than more complex ones. In this position paper, we question this latter assumption by focusing on one particular aspect of interpretability, namely the plausibility of models. Roughly speaking, we equate the plausibility of a model with the likeliness that a user accepts it as an explanation for a prediction. In particular, we argue that, all other things being equal, longer explanations may be more convincing than shorter ones, and that the predominant bias for shorter models, which is typically necessary for learning powerful discriminative models, may not be suitable when it comes to user acceptance of the learned models. To that end, we first recapitulate evidence for and against this postulate, and then report the results of an evaluation in a crowd-sourcing study based on about 3.000 judgments. The results do not reveal a strong preference for simple rules, whereas we can observe a weak preference for longer rules in some domains. We then relate these results to well-known cognitive biases such as the conjunction fallacy, the representative heuristic, or the recogition heuristic, and investigate their relation to rule length and plausibility.Comment: V4: Another rewrite of section on interpretability to clarify focus on plausibility and relation to interpretability, comprehensibility, and justifiabilit

Contextualized property market models vs. Generalized mass appraisals: An innovative approach

The present research takes into account the current and widespread need for rational valuation methodologies, able to correctly interpret the available market data. An innovative automated valuation model has been simultaneously implemented to three Italian study samples, each one constituted by two-hundred residential units sold in the years 2016-2017. The ability to generate a "unique" functional form for the three different territorial contexts considered, in which the relationships between the influencing factors and the selling prices are specified by different multiplicative coefficients that appropriately represent the market phenomena of each case study analyzed, is the main contribution of the proposed methodology. The method can provide support for private operators in the assessment of the territorial investment conveniences and for the public entities in the decisional phases regarding future tax and urban planning policies