Detecting adversarial manipulation using inductive Venn-ABERS predictors

Inductive Venn-ABERS predictors (IVAPs) are a type of probabilistic predictors with the theoretical guarantee that their predictions are perfectly calibrated. In this paper, we propose to exploit this calibration property for the detection of adversarial examples in binary classification tasks. By rejecting predictions if the uncertainty of the IVAP is too high, we obtain an algorithm that is both accurate on the original test set and resistant to adversarial examples. This robustness is observed on adversarials for the underlying model as well as adversarials that were generated by taking the IVAP into account. The method appears to offer competitive robustness compared to the state-of-the-art in adversarial defense yet it is computationally much more tractable

Machine Learning-Based Models for Prediction of Toxicity Outcomes in Radiotherapy

In order to limit radiotherapy (RT)-related side effects, effective toxicity prediction and assessment schemes are essential. In recent years, the growing interest toward artificial intelligence and machine learning (ML) within the science community has led to the implementation of innovative tools in RT. Several researchers have demonstrated the high performance of ML-based models in predicting toxicity, but the application of these approaches in clinics is still lagging, partly due to their low interpretability. Therefore, an overview of contemporary research is needed in order to familiarize practitioners with common methods and strategies. Here, we present a review of ML-based models for predicting and classifying RT-induced complications from both a methodological and a clinical standpoint, focusing on the type of features considered, the ML methods used, and the main results achieved. Our work overviews published research in multiple cancer sites, including brain, breast, esophagus, gynecological, head and neck, liver, lung, and prostate cancers. The aim is to define the current state of the art and main achievements within the field for both researchers and clinicians

Dense 3D Face Correspondence

We present an algorithm that automatically establishes dense correspondences between a large number of 3D faces. Starting from automatically detected sparse correspondences on the outer boundary of 3D faces, the algorithm triangulates existing correspondences and expands them iteratively by matching points of distinctive surface curvature along the triangle edges. After exhausting keypoint matches, further correspondences are established by generating evenly distributed points within triangles by evolving level set geodesic curves from the centroids of large triangles. A deformable model (K3DM) is constructed from the dense corresponded faces and an algorithm is proposed for morphing the K3DM to fit unseen faces. This algorithm iterates between rigid alignment of an unseen face followed by regularized morphing of the deformable model. We have extensively evaluated the proposed algorithms on synthetic data and real 3D faces from the FRGCv2, Bosphorus, BU3DFE and UND Ear databases using quantitative and qualitative benchmarks. Our algorithm achieved dense correspondences with a mean localisation error of 1.28mm on synthetic faces and detected $14$ anthropometric landmarks on unseen real faces from the FRGCv2 database with 3mm precision. Furthermore, our deformable model fitting algorithm achieved 98.5% face recognition accuracy on the FRGCv2 and 98.6% on Bosphorus database. Our dense model is also able to generalize to unseen datasets.Comment: 24 Pages, 12 Figures, 6 Tables and 3 Algorithm

Big-Data Science in Porous Materials: Materials Genomics and Machine Learning

By combining metal nodes with organic linkers we can potentially synthesize millions of possible metal organic frameworks (MOFs). At present, we have libraries of over ten thousand synthesized materials and millions of in-silico predicted materials. The fact that we have so many materials opens many exciting avenues to tailor make a material that is optimal for a given application. However, from an experimental and computational point of view we simply have too many materials to screen using brute-force techniques. In this review, we show that having so many materials allows us to use big-data methods as a powerful technique to study these materials and to discover complex correlations. The first part of the review gives an introduction to the principles of big-data science. We emphasize the importance of data collection, methods to augment small data sets, how to select appropriate training sets. An important part of this review are the different approaches that are used to represent these materials in feature space. The review also includes a general overview of the different ML techniques, but as most applications in porous materials use supervised ML our review is focused on the different approaches for supervised ML. In particular, we review the different method to optimize the ML process and how to quantify the performance of the different methods. In the second part, we review how the different approaches of ML have been applied to porous materials. In particular, we discuss applications in the field of gas storage and separation, the stability of these materials, their electronic properties, and their synthesis. The range of topics illustrates the large variety of topics that can be studied with big-data science. Given the increasing interest of the scientific community in ML, we expect this list to rapidly expand in the coming years.Comment: Editorial changes (typos fixed, minor adjustments to figures