SSL based on persistent homology (PH), a mathematical tool for modeling topological features of data that persist across multiple scales.

Traditional machine learning often assumes that the observed data of interest are supported on a linear vector space Topological deep learning (TDL) is a rapidly and can be described by a set of feature vectors. However, evolving field that uses topological features to understand there is growing awareness that, in many cases, this viewpoint and design deep learning models. This is insufficient to describe several data within the real paper posits that TDL may complement graph representation world. For example, molecules may be described more appropriately learning and geometric deep learning by graphs than feature vectors. Other examples by incorporating topological concepts, and can include three-dimensional objects represented by meshes, thus provide a natural choice for various machine as encountered in computer graphics and geometry processing, learning settings. To this end, this paper discusses or data supported on top of a complex social network open problems in TDL, ranging from practical of interrelated actors. Hence, there has been an increased benefits to theoretical foundations. For each problem, interest in importing concepts from geometry and topology it outlines potential solutions and future research into the usual machine learning pipelines to gain further opportunities.

Self-supervised learning (SSL) has great potential for molecular representation learning given the complexity of molecular graphs, the large amounts of unlabelled data available, the considerable cost of obtaining labels experimentally, and the hence often only small training datasets. The importance of the topic is reflected in the variety of paradigms and architectures that have been investigated recently. Yet the differences in performance seem often minor and are barely understood to date. In this paper, we study SSL based on persistent homology (PH), a mathematical tool for modeling topological features of data that persist across multiple scales. It has several unique features which particularly suit SSL, naturally offering: different views of the data, stability in terms of distance preservation, and the opportunity to flexibly incorporate domain knowledge. We (1) investigate an autoencoder, which shows the general representational power of PH, and (2) propose a contrastive loss that complements existing approaches. We rigorously evaluate our approach for molecular property prediction and demonstrate its particular features in improving the embedding space: after SSL, the representations are better and offer considerably more predictive power than the baselines over different probing tasks; our loss increases baseline performance, sometimes largely; and we often obtain substantial improvements over very small datasets, a common scenario in practice.

Explanation of AI, as well as fairness of algorithms' decisions and the transparency of the decision model, are becoming more and more important. And it is crucial to design effective and human-friendly techniques when opening the black-box model. Counterfactual conforms to the human way of thinking and provides a human-friendly explanation, and its corresponding explanation algorithm refers to a strategic alternation of a given data point so that its model output is "counter-facted", i.e. the prediction is reverted. In this paper, we adapt counterfactual explanation over fine-grained image classification problem. We demonstrated an adaptive method that could give a counterfactual explanation by showing the composed counterfactual feature map using top-down layer searching algorithm (TDLS). We have proved that our TDLS algorithm could provide more flexible counterfactual visual explanation in an efficient way using VGG-16 model on Caltech-UCSD Birds 200 dataset. At the end, we discussed several applicable scenarios of counterfactual visual explanations.

We study temporal description logics (TDLs) based on the branching-time temporal logic CTL and the lightweight DL EL in the presence of rigid roles and restricted TBoxes. While TDLs designed in this way are known to be inherently nonelementary or even undecidable over general TBoxes, there is hope for a better computational behaviour over acyclic or empty TBoxes. We begin by showing that the basic DL ALC combined with CTL in the described way is indeed decidable, but still inherently nonelementary. As our main contribution, we identify several TDLs of elementary complexity, obtained by combining EL with CTL fragments that allow only restricted sets of temporal operators. We obtain upper complexity bounds ranging from PTime to coNExpTime and mostly tight lower bounds. This contrasts the fact that the respective ALC variants are already inherently nonelementary.