1,846 research outputs found

    Macro-modelling via radial basis functionen nets

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    By the rising complexity and miniaturisation of the device's dimensions, the density of the conductors increases considerably. Referring to this, locally transient interactions between single physical values become apparent. Therefore, for the investigation and optimisation of integrated circuits it is essential to develop suitable models and simulation surroundings which allow for memory and timeefficient calculation of the behaviour. By means of the dynamic reconstruction theory and the radial basis functions nets the so-called black box models are provided. The description of black box models is derived from the input and output behaviour or so-called time series of a dynamic system. Concerning the time series, the black box model adapts its parameters via the extended Kalman filter. This paper provides a modelling approach that enables fast and efficient simulations.BMBF/01M3169 EInfineon Technologies AG/01M 3169

    A Survey on Graph Kernels

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    Graph kernels have become an established and widely-used technique for solving classification tasks on graphs. This survey gives a comprehensive overview of techniques for kernel-based graph classification developed in the past 15 years. We describe and categorize graph kernels based on properties inherent to their design, such as the nature of their extracted graph features, their method of computation and their applicability to problems in practice. In an extensive experimental evaluation, we study the classification accuracy of a large suite of graph kernels on established benchmarks as well as new datasets. We compare the performance of popular kernels with several baseline methods and study the effect of applying a Gaussian RBF kernel to the metric induced by a graph kernel. In doing so, we find that simple baselines become competitive after this transformation on some datasets. Moreover, we study the extent to which existing graph kernels agree in their predictions (and prediction errors) and obtain a data-driven categorization of kernels as result. Finally, based on our experimental results, we derive a practitioner's guide to kernel-based graph classification

    Conversational AI Assistant Using Artificial Neural Networks: Implementation of a contextual chatbot framework in a Point-of-Sale system

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    Internship Report presented as the partial requirement for obtaining a Master's degree in Data Science and Advanced Analytics, specialization in Business AnalyticsArtificial intelligence is changing the way how businesses are affronting their day-to-day difficulties. Chatbots are the perfect demonstration of how simple tasks and queries such as customer support or sales metrics and reporting could be solved without human intervention. This project introduced a task-oriented chatbot framework for Spanish language in a Point-Of-Sale webpage. We applied Natural Language Processing (NLP) techniques such as NER and evaluated two supervised learning methods: (i) an Artificial Neural Network (ANN) and (ii) a Support Vector Machines (SVM) model to create a contextualized chatbot that classifies the user’s intention in a text conversation, allowing bidirectional human-to-machine communication. These intents could go from simple chitchatting to detailed reports, always providing a natural flow in conversation. The results using an augmented and balanced corpus suggested that ANN model performed statistically better than SVM. Additionally, a real-word scenario with a small-talk survey made to five users gave positive feedback about the quality of predictions. Finally, a software architecture using a PaaS computing service and an API framework was proposed to implement this dialog system in further works

    SAFE: Self-Attentive Function Embeddings for Binary Similarity

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    The binary similarity problem consists in determining if two functions are similar by only considering their compiled form. Advanced techniques for binary similarity recently gained momentum as they can be applied in several fields, such as copyright disputes, malware analysis, vulnerability detection, etc., and thus have an immediate practical impact. Current solutions compare functions by first transforming their binary code in multi-dimensional vector representations (embeddings), and then comparing vectors through simple and efficient geometric operations. However, embeddings are usually derived from binary code using manual feature extraction, that may fail in considering important function characteristics, or may consider features that are not important for the binary similarity problem. In this paper we propose SAFE, a novel architecture for the embedding of functions based on a self-attentive neural network. SAFE works directly on disassembled binary functions, does not require manual feature extraction, is computationally more efficient than existing solutions (i.e., it does not incur in the computational overhead of building or manipulating control flow graphs), and is more general as it works on stripped binaries and on multiple architectures. We report the results from a quantitative and qualitative analysis that show how SAFE provides a noticeable performance improvement with respect to previous solutions. Furthermore, we show how clusters of our embedding vectors are closely related to the semantic of the implemented algorithms, paving the way for further interesting applications (e.g. semantic-based binary function search).Comment: Published in International Conference on Detection of Intrusions and Malware, and Vulnerability Assessment (DIMVA) 201

    Machine Learning Small Molecule Properties in Drug Discovery

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    Machine learning (ML) is a promising approach for predicting small molecule properties in drug discovery. Here, we provide a comprehensive overview of various ML methods introduced for this purpose in recent years. We review a wide range of properties, including binding affinities, solubility, and ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity). We discuss existing popular datasets and molecular descriptors and embeddings, such as chemical fingerprints and graph-based neural networks. We highlight also challenges of predicting and optimizing multiple properties during hit-to-lead and lead optimization stages of drug discovery and explore briefly possible multi-objective optimization techniques that can be used to balance diverse properties while optimizing lead candidates. Finally, techniques to provide an understanding of model predictions, especially for critical decision-making in drug discovery are assessed. Overall, this review provides insights into the landscape of ML models for small molecule property predictions in drug discovery. So far, there are multiple diverse approaches, but their performances are often comparable. Neural networks, while more flexible, do not always outperform simpler models. This shows that the availability of high-quality training data remains crucial for training accurate models and there is a need for standardized benchmarks, additional performance metrics, and best practices to enable richer comparisons between the different techniques and models that can shed a better light on the differences between the many techniques.Comment: 46 pages, 1 figur
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