We introduce a new feature map for barcodes that arise in persistent homology computation. The main idea is to first realize each barcode as a path in a convenient vector space, and to then compute its path signature which takes values in the tensor algebra of that vector space. The composition of these two operations - barcode to path, path to tensor series - results in a feature map that has several desirable properties for statistical learning, such as universality and characteristicness, and achieves state-of-the-art results on common classification benchmarks.

The representation power of similarity functions used in neural network-based graph embedding is considered. The inner product similarity (IPS) with feature vectors computed via neural networks is commonly used for representing the strength of association between two nodes. However, only a little work has been done on the representation capability of IPS. A very recent work shed light on the nature of IPS and reveals that IPS has the capability of approximating any positive definite (PD) similarities. However, a simple example demonstrates the fundamental limitation of IPS to approximate non-PD similarities. We then propose a novel model named Shifted IPS (SIPS) that approximates any Conditionally PD (CPD) similarities arbitrary well. CPD is a generalization of PD with many examples such as negative Poincare distance and negative Wasserstein distance, thus SIPS has a potential impact to significantly improve the applicability of graph embedding without taking great care in configuring the similarity function. Our numerical experiments demonstrate the SIPS's superiority over IPS. In theory, we further extend SIPS beyond CPD by considering the inner product in Minkowski space so that it approximates more general similarities.

Deep reinforcement learning (DRL) has proven to be an effective tool for creating general video-game AI. However most current DRL video-game agents learn end-to-end from the video-output of the game, which is superfluous for many applications and creates a number of additional problems. More importantly, directly working on pixel-based raw video data is substantially distinct from what a human player does.In this paper, we present a novel method which enables DRL agents to learn directly from object information. This is obtained via use of an object embedding network (OEN) that compresses a set of object feature vectors of different lengths into a single fixed-length unified feature vector representing the current game-state and fulfills the DRL simultaneously. We evaluate our OEN-based DRL agent by comparing to several state-of-the-art approaches on a selection of games from the GVG-AI Competition. Experimental results suggest that our object-based DRL agent yields performance comparable to that of those approaches used in our comparative study.

Rennes, CNRS, LETG F-35000 Rennes Optimal transport has recently gained a lot of interest in the machine learning community thanks to its ability to compare probability distributions while respecting the underlying space's geometry. Wasserstein distance deals with feature information through its metric or cost function, but fails in exploiting the structural information, i.e. the specific relations existing among the components of the distribution. Recently adapted to a machine learning context, the Gromov-Wasserstein distance defines a metric well suited for comparing distributions that live in different metric spaces by exploiting their inner structural information. In this paper we propose a new optimal transport distance, called the Fused Gromov-Wasserstein distance, capable of leveraging both structural and feature information by combining both views and prove its metric properties over very general manifolds. We also define the barycenter of structured objects as their Fréchet mean, leveraging both feature and structural information. We illustrate the versatility of the method for problems where structured objects are involved, computing barycenters in graph and time series contexts. We also use this new distance for graph classification where we obtain comparable or superior results than state-of-the-art graph kernel methods and end-to-end graph CNN approach.

This paper addresses the mode collapse for generative adversarial networks (GANs). We view modes as a geometric structure of data distribution in a metric space. Under this geometric lens, we embed subsamples of the dataset from an arbitrary metric space into the l2 space, while preserving their pairwise distance distribution. Not only does this metric embedding determine the dimensionality of the latent space automatically, it also enables us to construct a mixture of Gaussians to draw latent space random vectors. We use the Gaussian mixture model in tandem with a simple augmentation of the objective function to train GANs. Every major step of our method is supported by theoretical analysis, and our experiments on real and synthetic data confirm that the generator is able to produce samples spreading over most of the modes while avoiding unwanted samples, outperforming several recent GAN variants on a number of metrics and offering new features.

The present paper considers a finite sequence of graphs, e.g., coming from technological, biological, and social networks, each of which is modelled as a realization of a graph-valued random variable, and proposes a methodology to identify possible changes in stationarity in its generating stochastic process. In order to cover a large class of applications, we consider a general family of attributed graphs, chatacterized by a possible variable topology (edges and vertices) also in the stationary case. A Change Point Method (CPM) approach is proposed, that (i) maps graphs into a vector domain; (ii) applies a suitable statistical test; (iii) detects the change --if any-- according to a confidence level and provides an estimate for its time of occurrence. Two specific CPMs are proposed: one detecting shifts in the distribution mean, the other addressing generic changes affecting the distribution. We ground our proposal with theoretical results showing how to relate the inference attained in the numerical vector space to the graph domain, and vice versa. Finally, simulations on epileptic-seizure detection problems are conducted on real-world data providing evidence for the CPMs effectiveness.

Embedding knowledge graphs (KGs) into continuous vector spaces is a focus of current research. Early works performed this task via simple models developed over KG triples. Recent attempts focused on either designing more complicated triple scoring models, or incorporating extra information beyond triples. This paper, by contrast, investigates the potential of using very simple constraints to improve KG embedding. We examine non-negativity constraints on entity representations and approximate entailment constraints on relation representations. The former help to learn compact and interpretable representations for entities. The latter further encode regularities of logical entailment between relations into their distributed representations. These constraints impose prior beliefs upon the structure of the embedding space, without negative impacts on efficiency or scalability. Evaluation on WordNet, Freebase, and DBpedia shows that our approach is simple yet surprisingly effective, significantly and consistently outperforming competitive baselines. The constraints imposed indeed improve model interpretability, leading to a substantially increased structuring of the embedding space. Code and data are available at https://github.com/iieir-km/ComplEx-NNE_AER.

We propose post-processing method for enriching not only word representation but also its vector space using semantic lexicons, which we call extrofitting. The method consists of 3 steps as follows: (i) Expanding 1 or more dimension(s) on all the word vectors, filling with their representative value. (ii) Transferring semantic knowledge by averaging each representative values of synonyms and filling them in the expanded dimension(s). These two steps make representations of the synonyms close together. (iii) Projecting the vector space using Linear Discriminant Analysis, which eliminates the expanded dimension(s) with semantic knowledge. When experimenting with GloVe, we find that our method outperforms Faruqui's retrofitting on some of word similarity task. We also report further analysis on our method in respect to word vector dimensions, vocabulary size as well as other well-known pretrained word vectors (e.g., Word2Vec, Fasttext).

Real-world networks such as social and communication networks are too large to be observed entirely. Such networks are often partially observed such that network size, network topology, and nodes of the original network are unknown. In this paper we formalize the Adaptive Graph Exploring problem. We assume that we are given an incomplete snapshot of a large network and additional nodes can be discovered by querying nodes in the currently observed network. The goal of this problem is to maximize the number of observed nodes within a given query budget. Querying which set of nodes maximizes the size of the observed network? We formulate this problem as an exploration-exploitation problem and propose a novel nonparametric multi-arm bandit (MAB) algorithm for identifying which nodes to be queried. Our contributions include: (1) $i$KNN-UCB, a novel nonparametric MAB algorithm, applies $k$-nearest neighbor UCB to the setting when the arms are presented in a vector space, (2) provide theoretical guarantee that $i$KNN-UCB algorithm has sublinear regret, and (3) applying $i$KNN-UCB algorithm on synthetic networks and real-world networks from different domains, we show that our method discovers up to 40% more nodes compared to existing baselines.

We introduce interactive structure learning, an abstract problem that encompasses many interactive learning tasks that have traditionally been studied in isolation, including active learning of binary classifiers, interactive clustering, interactive embedding, and active learning of structured output predictors. These problems include variants of both supervised and unsupervised tasks, and allow many different types of feedback, from binary labels to must-link/cannot-link constraints to similarity assessments to structured outputs. Despite these surface differences, they conform to a common template that allows them to be fruitfully unified. In interactive structure learning, there is a space of items X --for instance, an input space on which a classifier is to be learned, or points to cluster, or points to embed in a metric space--and the goal is to learn a structure on X, chosen from a family G. This set G could consist, for example, of all linear classifiers on X, or all hierarchical clusterings of X, or all knowledge graphs on X.