Antibody-Antigen Interface Characterization with Contextualized Pre-trained Embeddings

Artificial Intelligence (AI) has substantially influenced numerous disciplines in recent years. Biology, chemistry, and bioinformatics are among them, with significant advances in protein structure prediction, paratope prediction, protein-protein interactions (PPIs), and antibody-antigen interactions. Understanding PPIs is critical since they are responsible for practically everything living and have several uses in vaccines, cancer, immunology, and inflammatory illnesses. Machine Learning (ML) offers enormous potential for effectively simulating antibody-antigen interactions and improving in-silico optimization of therapeutic antibodies for desired features, including binding activity, stability, and low immunogenicity. This research looks at the use of AI algorithms to better understand antibody-antigen interactions, and it further expands and explains several difficulties encountered in the field. Furthermore, we contribute by presenting a method that outperforms existing state-of-the-art strategies in paratope prediction from sequence data.

Continual learning on nano drones

Miniaturized flying robotic platforms, called nano-drones, have the potential to revolutionize the autonomous robots industry sector thanks to their very small form factor. The nano-drones’ limited payload only allows for a sub-100mW microcontroller unit for the on-board computations. Therefore, traditional computer vision and control algorithms are too computationally expensive to be executed on board these palm-sized robots, and we are forced to rely on artificial intelligence to trade off accuracy in favor of lightweight pipelines for autonomous tasks. However, relying on deep learning exposes us to the problem of generalization since the deployment scenario of a convolutional neural network (CNN) is often composed by different visual cues and different features from those learned during training, leading to poor inference performances. Our objective is to develop and deploy and adaptation algorithm, based on the concept of latent replays, that would allow us to fine-tune a CNN to work in new and diverse deployment scenarios. To do so we start from an existing model for visual human pose estimation, called PULPFrontnet, which is used to identify the pose of a human subject in space through its 4 output variables, and we present the design of our novel adaptation algorithm, which features automatic data gathering and labeling and on-device deployment. We therefore showcase the ability of our algorithm to adapt PULP-Frontnet to new deployment scenarios, improving the R2 scores of the four network outputs, with respect to an unknown environment, from approximately [−0.2, 0.4, 0.0,−0.7] to [0.25, 0.45, 0.2, 0.1]. Finally we demonstrate how it is possible to fine-tune our neural network in real time (i.e., under 76 seconds), using the target parallel ultra-low power GAP 8 System-on-Chip on board the nano-drone, and we show how all adaptation operations can take place using less than 2mWh of energy, a small fraction of the available battery power.

Framework for anomaly detection on photovoltaic plants

Technological advancement has undergone exponential growth in recent years, and this has brought significant improvements in the computational capabilities of computers, which can now perform an enormous amount of calculations per second. Taking advantage of these improvements has made it possible to devise algorithms that are very demanding in terms of the computational resources needed to develop architectures capable of solving the most complex problems: currently the most powerful of these are neural networks and in this thesis I will combine these tecniques with classical computer vision algorithms to improve the speed and accuracy of maintenance in photovoltaic facilities.

Cheaper Faster Drug Development Validated By The Repositioning Of Drugs Against Neglected Tropical Diseases.

There is an urgent need to make drug discovery cheaper and faster. This will enable the development of treatments for diseases currently neglected for economic reasons, such as tropical and orphan diseases, and generally increase the supply of new drugs. Here, we report the Robot Scientist 'Eve' designed to make drug discovery more economical. A Robot Scientist is a laboratory automation system that uses artificial intelligence (AI) techniques to discover scientific knowledge through cycles of experimentation. Eve integrates and automates library-screening, hit-confirmation, and lead generation through cycles of quantitative structure activity relationship learning and testing. Using econometric modelling we demonstrate that the use of AI to select compounds economically outperforms standard drug screening. For further efficiency Eve uses a standardized form of assay to compute Boolean functions of compound properties. These assays can be quickly and cheaply engineered using synthetic biology, enabling more targets to be assayed for a given budget. Eve has repositioned several drugs against specific targets in parasites that cause tropical diseases. One validated discovery is that the anti-cancer compound TNP-470 is a potent inhibitor of dihydrofolate reductase from the malaria-causing parasite Plasmodium vivax.

The Brain as a Distributed Intelligent Processing System: An EEG Study

Background: Various neuroimaging studies, both structural and functional, have provided support for the proposal that a distributed brain network is likely to be the neural basis of intelligence. The theory of Distributed Intelligent Processing Systems (DIPS), first developed in the field of Artificial Intelligence, was proposed to adequately model distributed neural intelligent processing. In addition, the neural efficiency hypothesis suggests that individuals with higher intelligence display more focused cortical activation during cognitive performance, resulting in lower total brain activation when compared with individuals who have lower intelligence. This may be understood as a property of the DIPS. Methodology and Principal Findings: In our study, a new EEG brain mapping technique, based on the neural efficiency hypothesis and the notion of the brain as a Distributed Intelligence Processing System, was used to investigate the correlations between IQ evaluated with WAIS (Whechsler Adult Intelligence Scale) and WISC (Wechsler Intelligence Scale for Children), and the brain activity associated with visual and verbal processing, in order to test the validity of a distributed neural basis for intelligence. Conclusion: The present results support these claims and the neural efficiency hypothesis.

MODELLING AND CONTROL OF ERSW PROCESSES BY NEURONAL NETWORK

A study on the use of artificial intelligence (AI) techniques for the modelling and subsequent control of an electric resistance spot welding process (ERSW) is presented. The ERSW process is characterized by the coupling of thermal, electrical, mechanical, and metallurgical phenomena. For this reason, early attempts to model it using computational methods established as the methods of finite differences, finite element, and finite volumes, ask for simplifications that lead the model obtained far from reality or very costly in terms of computational costs, to be used in a real-time control system. In this sense, the authors have developed an ERSW controller that uses fuzzy logic to adjust the energy transferred to the weld nugget. The proposed control strategies differ in the speed with which it reaches convergence. Moreover, their application for a quality control of spot weld through artificial neural networks (ANN) is discussed.

Generation and Analysis of Interaction Energy Maps of p-Substituted Benzoic Acid [(5-Nitro-thiophen-2-yl)-methylene]-Hydrazides Active against MRSA

In this preliminary study eighteen p-substituted benzoic acid [(5-nitro-thiophen-2-yl)-methylene]-hydrazides with antimicrobial activity were evaluated against multidrug-resistant Staphylococcus aureus, correlating the three-dimensional characteristics of the ligands with their respective bioactivities. The computer programs Sybyl and CORINA were used, respectively, for the design and three-dimensional conversion of the ligands. Molecular interaction fields were calculated using GRID program. Calculations using Volsurf resulted in a statistically consistent model with 48 structural descriptors showing that hydrophobicity is a fundamental property in the analyzed biological response.

A Computational Framework for Institutional Agency

This paper provides a computational framework, based on Defeasible Logic, to capture some aspects of institutional agency. Our background is Kanger-Lindahl-P\"orn account of organised interaction, which describes this interaction within a multi-modal logical setting. This work focuses in particular on the notions of counts-as link and on those of attempt and of personal and direct action to realise states of affairs. We show how standard Defeasible Logic can be extended to represent these concepts: the resulting system preserves some basic properties commonly attributed to them. In addition, the framework enjoys nice computational properties, as it turns out that the extension of any theory can be computed in time linear to the size of the theory itself.

DR-NEGOTIATE - A system for automated agent negotiation with defeasible logic-based strategies

This paper reports on a system for automated agent negotiation, based on a formal and executable approach to capture the behavior of parties involved in a negotiation. It uses the JADE agent framework, and its major distinctive feature is the use of declarative negotiation strategies. The negotiation strategies are expressed in a declarative rules language, defeasible logic, and are applied using the implemented system DR-DEVICE. The key ideas and the overall system architecture are described, and a particular negotiation case is presented in detail.

BIO Logical Agents: Norms, Beliefs, Intentions in Defeasible Logic

In this paper we follow the BOID (Belief, Obligation, Intention, Desire) architecture to describe agents and agent types in Defeasible Logic. We argue, in particular, that the introduction of obligations can provide a new reading of the concepts of intention and intentionality. Then we examine the notion of social agent (i.e., an agent where obligations prevail over intentions) and discuss some computational and philosophical issues related to it. We show that the notion of social agent either requires more complex computations or has some philosophical drawbacks.

Interaction between Normative Systems and Cognitive Agents in Temporal Modal Defeasible Logic

While some recent frameworks on cognitive agents addressed the combination of mental attitudes with deontic concepts, they commonly ignore the representation of time. An exception is [1]that manages also some temporal aspects both with respect to cognition and normative provisions. We propose in this paper an extension of the logic presented in [1]with temporal intervals.

Variants of temporal defeasible logics for modelling norm modifications

This paper proposes some variants of Temporal Defeasible Logic (TDL) to reason about normative modifications. These variants make it possible to differentiate cases in which, for example, modifications at some time change legal rules but their conclusions persist afterwards from cases where also their conclusions are blocked.

Strategic argumentation: A game theoretical investigation

Argumentation is modelled as a game where the payoffs are measured in terms of the probability that the claimed conclusion is, or is not, defeasibly provable, given a history of arguments that have actually been exchanged, and given the probability of the factual premises. The probability of a conclusion is calculated using a standard variant of Defeasible Logic, in combination with standard probability calculus. It is a new element of the present approach that the exchange of arguments is analysed with game theoretical tools, yielding a prescriptive and to some extent even predictive account of the actual course of play. A brief comparison with existing argument-based dialogue approaches confirms that such a prescriptive account of the actual argumentation has been almost lacking in the approaches proposed so far.

A Logic Framework of Normative-based Contract Management

We explore of the feasibility of the computationally oriented institutional agency framework proposed by Governatori and Rotolo testing it against an industrial strength scenario. In particular we show how to encode in defeasible logic the dispute resolution policy described in Article 67 of FIDIC.

Contextual Deliberation of Cognitive Agents in Defeasible Logic

This article extends Defeasible Logic to deal with the contextual deliberation process of cognitive agents. First, we introduce meta-rules to reason with rules. Meta-rules are rules that have as a consequent rules for motivational components, such as obligations, intentions and desires. In other words, they include nested rules. Second, we introduce explicit preferences among rules. They deal with complex structures where nested rules can be involved.