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Drug-Drug Adverse Effect Prediction with Graph Co-Attention

arXiv.org Machine Learning

Complex or co-existing diseases are commonly treated using drug combinations, which can lead to higher risk of adverse side effects. The detection of polypharmacy side effects is usually done in Phase IV clinical trials, but there are still plenty which remain undiscovered when the drugs are put on the market. Such accidents have been affecting an increasing proportion of the population (15% in the US now) and it is thus of high interest to be able to predict the potential side effects as early as possible. Systematic combinatorial screening of possible drug-drug interactions (DDI) is challenging and expensive. However, the recent significant increases in data availability from pharmaceutical research and development efforts offer a novel paradigm for recovering relevant insights for DDI prediction. Accordingly, several recent approaches focus on curating massive DDI datasets (with millions of examples) and training machine learning models on them. Here we propose a neural network architecture able to set state-of-the-art results on this task---using the type of the side-effect and the molecular structure of the drugs alone---by leveraging a co-attentional mechanism. In particular, we show the importance of integrating joint information from the drug pairs early on when learning each drug's representation.


Using Collective Behavior of Coupled Oscillators for Solving DCOP

Journal of Artificial Intelligence Research

The distributed constraint optimization problem (DCOP) has emerged as one of the most promising coordination techniques in multiagent systems. However, because DCOP is known to be NP-hard, the existing DCOP techniques are often unsuitable for large-scale applications, which require distributed and scalable algorithms to deal with severely limited computing and communication. In this paper, we present a novel approach to provide approximate solutions for large-scale, complex DCOPs. This approach introduces concepts of synchronization of coupled oscillators for speeding up the convergence process towards high-quality solutions. We propose a new anytime local search DCOP algorithm, called Coupled Oscillator OPTimization (COOPT), which amounts to iteratively solving a DCOP by agents exchanging local information that brings them to a consensus. We empirically evaluate COOPT on constraint networks involving hundreds of variables with different topologies, domains, and densities. Our experimental results demonstrate that COOPT outperforms other incomplete state-of-the-art DCOP algorithms, especially in terms of the agents' communication cost and solution quality.


Context-Aware Zero-Shot Learning for Object Recognition

arXiv.org Machine Learning

Zero-Shot Learning (ZSL) aims at classifying unlabeled objects by leveraging auxiliary knowledge, such as semantic representations. A limitation of previous approaches is that only intrinsic properties of objects, e.g. their visual appearance, are taken into account while their context, e.g. the surrounding objects in the image, is ignored. Following the intuitive principle that objects tend to be found in certain contexts but not others, we propose a new and challenging approach, context-aware ZSL, that leverages semantic representations in a new way to model the conditional likelihood of an object to appear in a given context. Finally, through extensive experiments conducted on Visual Genome, we show that contextual information can substantially improve the standard ZSL approach and is robust to unbalanced classes.


How To Improve Supply Chains With Machine Learning: 10 Proven Ways

#artificialintelligence

Bottom line: Enterprises are attaining double-digit improvements in forecast error rates, demand planning productivity, cost reductions and on-time shipments using machine learning today, revolutionizing supply chain management in the process. Machine learning algorithms and the models they're based on excel at finding anomalies, patterns and predictive insights in large data sets. Many supply chain challenges are time, cost and resource constraint-based, making machine learning an ideal technology to solve them. From Amazon's Kiva robotics relying on machine learning to improve accuracy, speed and scale to DHL relying on AI and machine learning to power their Predictive Network Management system that analyzes 58 different parameters of internal data to identify the top factors influencing shipment delays, machine learning is defining the next generation of supply chain management. Gartner predicts that by 2020, 95% of Supply Chain Planning (SCP) vendors will be relying on supervised and unsupervised machine learning in their solutions.


Uber aims for stock market debut value of more than $90bn

The Guardian

Uber has unveiled the terms of a hotly anticipated stock market float which it hopes will value the ride-hailing service at more than $91bn (£70bn). While the target is $10bn less than some bankers suggested the 10-year-old firm might be worth, the valuation is more than double the value of the 116-year-old carmaker Ford and would be the largest float by a US tech company since Facebook's in 2012. Its Wall Street debut will gauge investors' excitement about the prospects of a company that has expanded rapidly from taxi services into food delivery and is now investing billions in developing driverless cars. If it hits the mark, Uber will raise around $9bn in new funds and some early investors will make big profits. Despite the scale of ts ambition, Uber lost $1.8bn last year even while its revenues surged by more than 40% to $11.3bn.


Rewilding complex ecosystems

Science

Management actions promoted economic prosperity (positive material contributions) and agricultural abandonment (negative material contributions). The park provides nonmaterial and regulating contributions (e.g., opportunities for nature experiences, habitat creation and maintenance).


Adversarial Attacks on Deep Neural Networks for Time Series Classification

arXiv.org Machine Learning

Time Series Classification (TSC) problems are encountered in many real life data mining tasks ranging from medicine and security to human activity recognition and food safety. With the recent success of deep neural networks in various domains such as computer vision and natural language processing, researchers started adopting these techniques for solving time series data mining problems. However, to the best of our knowledge, no previous work has considered the vulnerability of deep learning models to adversarial time series examples, which could potentially make them unreliable in situations where the decision taken by the classifier is crucial such as in medicine and security. For computer vision problems, such attacks have been shown to be very easy to perform by altering the image and adding an imperceptible amount of noise to trick the network into wrongly classifying the input image. Following this line of work, we propose to leverage existing adversarial attack mechanisms to add a special noise to the input time series in order to decrease the network's confidence when classifying instances at test time. Our results reveal that current state-of-the-art deep learning time series classifiers are vulnerable to adversarial attacks which can have major consequences in multiple domains such as food safety and quality assurance.


Robustness Verification of Support Vector Machines

arXiv.org Machine Learning

We study the problem of formally verifying the robustness to adversarial examples of support vector machines (SVMs), a major machine learning model for classification and regression tasks. Following a recent stream of works on formal robustness verification of (deep) neural networks, our approach relies on a sound abstract version of a given SVM classifier to be used for checking its robustness. This methodology is parametric on a given numerical abstraction of real values and, analogously to the case of neural networks, needs neither abstract least upper bounds nor widening operators on this abstraction. The standard interval domain provides a simple instantiation of our abstraction technique, which is enhanced with the domain of reduced affine forms, which is an efficient abstraction of the zonotope abstract domain. This robustness verification technique has been fully implemented and experimentally evaluated on SVMs based on linear and nonlinear (polynomial and radial basis function) kernels, which have been trained on the popular MNIST dataset of images and on the recent and more challenging Fashion-MNIST dataset. The experimental results of our prototype SVM robustness verifier appear to be encouraging: this automated verification is fast, scalable and shows significantly high percentages of provable robustness on the test set of MNIST, in particular compared to the analogous provable robustness of neural networks.


Landmark-Based Approaches for Goal Recognition as Planning

arXiv.org Artificial Intelligence

The task of recognizing goals and plans from missing and full observations can be done efficiently by using automated planning techniques. In many applications, it is important to recognize goals and plans not only accurately, but also quickly. To address this challenge, we develop novel goal recognition approaches based on planning techniques that rely on planning landmarks. In automated planning, landmarks are properties (or actions) that cannot be avoided to achieve a goal. We show the applicability of a number of planning techniques with an emphasis on landmarks for goal and plan recognition tasks in two settings: (1) we use the concept of landmarks to develop goal recognition heuristics; and (2) we develop a landmark-based filtering method to refine existing planning-based goal and plan recognition approaches. These recognition approaches are empirically evaluated in experiments over several classical planning domains. We show that our goal recognition approaches yield not only accuracy comparable to (and often higher than) other state-of-the-art techniques, but also substantially faster recognition time over such techniques.


Using Sub-Optimal Plan Detection to Identify Commitment Abandonment in Discrete Environments

arXiv.org Artificial Intelligence

Assessing whether an agent has abandoned a goal or is actively pursuing it is important when multiple agents are trying to achieve joint goals, or when agents commit to achieving goals for each other. Making such a determination for a single goal by observing only plan traces is not trivial as agents often deviate from optimal plans for various reasons, including the pursuit of multiple goals or the inability to act optimally. In this article, we develop an approach based on domain independent heuristics from automated planning, landmarks, and fact partitions to identify sub-optimal action steps - with respect to a plan - within a plan execution trace. Such capability is very important in domains where multiple agents cooperate and delegate tasks among themselves, e.g. through social commitments, and need to ensure that a delegating agent can infer whether or not another agent is actually progressing towards a delegated task. We demonstrate how an agent can use our technique to determine - by observing a trace - whether an agent is honouring a commitment. We empirically show, for a number of representative domains, that our approach infers sub-optimal action steps with very high accuracy and detects commitment abandonment in nearly all cases.