Many complex engineering systems can be represented in a topological form, such as graphs. This paper utilizes a machine learning technique called Geometric Deep Learning (GDL) to aid designers with challenging, graph-centric design problems. The strategy presented here is to take the graph data and apply GDL to seek the best realizable performing solution effectively and efficiently with lower computational costs. This case study used here is the synthesis of analog electrical circuits that attempt to match a specific frequency response within a particular frequency range. Previous studies utilized an enumeration technique to generate 43,249 unique undirected graphs presenting valid potential circuits. Unfortunately, determining the sizing and performance of many circuits can be too expensive. To reduce computational costs with a quantified trade-off in accuracy, the fraction of the circuit graphs and their performance are used as input data to a classification-focused GDL model. Then, the GDL model can be used to predict the remainder cheaply, thus, aiding decision-makers in the search for the best graph solutions. The results discussed in this paper show that additional graph-based features are useful, favorable total set classification accuracy of 80\% in using only 10\% of the graphs, and iteratively-built GDL models can further subdivide the graphs into targeted groups with medians significantly closer to the best and containing 88.2 of the top 100 best-performing graphs on average.
Regulation of Multi-Agent Systems (MAS) and Declarative Electronic Institutions (DEIs) was a multidisciplinary research topic of the past decade involving (Physical and Software) Agents and Law since the beginning, but recently evolved towards News-claimed Robot Lawyer since 2016. One of these first proposals of restricting the behaviour of Software Agents was Electronic Institutions.However, with the recent reformulation of Artificial Neural Networks (ANNs) as Deep Learning (DL), Security, Privacy,Ethical and Legal issues regarding the use of DL has raised concerns in the Artificial Intelligence (AI) Community. Now that the Regulation of MAS is almost correctly addressed, we propose the Regulation of Artificial Neural Networks as Agent-based Training of a special type of regulated Artificial Neural Network that we call Institutional Neural Network (INN).The main purpose of this paper is to bring attention to Artificial Teaching (AT) and to give a tentative answer showing a proof-of-concept implementation of Regulated Deep Learning (RDL). This paper introduces the former concept and provide $I^*$, a language previously used to model declaratively and extend Electronic Institutions, as a means to regulate the execution of Artificial Neural Networks and their interactions with Artificial Teachers (ATs)
Deep learning (DL) models for tabular data problems are receiving increasingly more attention, while the algorithms based on gradient-boosted decision trees (GBDT) remain a strong go-to solution. Following the recent trends in other domains, such as natural language processing and computer vision, several retrieval-augmented tabular DL models have been recently proposed. For a given target object, a retrieval-based model retrieves other relevant objects, such as the nearest neighbors, from the available (training) data and uses their features or even labels to make a better prediction. However, we show that the existing retrieval-based tabular DL solutions provide only minor, if any, benefits over the properly tuned simple retrieval-free baselines. Thus, it remains unclear whether the retrieval-based approach is a worthy direction for tabular DL. In this work, we give a strong positive answer to this question. We start by incrementally augmenting a simple feed-forward architecture with an attention-like retrieval component similar to those of many (tabular) retrieval-based models. Then, we highlight several details of the attention mechanism that turn out to have a massive impact on the performance on tabular data problems, but that were not explored in prior work. As a result, we design TabR -- a simple retrieval-based tabular DL model which, on a set of public benchmarks, demonstrates the best average performance among tabular DL models, becomes the new state-of-the-art on several datasets, and even outperforms GBDT models on the recently proposed ``GBDT-friendly'' benchmark (see the first figure).
Modern computer systems are ubiquitous in contemporary life yet many of them remain opaque. This poses significant challenges in domains where desiderata such as fairness or accountability are crucial. We suggest that the best strategy for achieving system transparency varies depending on the specific source of opacity prevalent in a given context. Synthesizing and extending existing discussions, we propose a taxonomy consisting of eight sources of opacity that fall into three main categories: architectural, analytical, and socio-technical. For each source, we provide initial suggestions as to how to address the resulting opacity in practice. The taxonomy provides a starting point for requirements engineers and other practitioners to understand contextually prevalent sources of opacity, and to select or develop appropriate strategies for overcoming them.
Recommendation systems have become popular and effective tools to help users discover their interesting items by modeling the user preference and item property based on implicit interactions (e.g., purchasing and clicking). Humans perceive the world by processing the modality signals (e.g., audio, text and image), which inspired researchers to build a recommender system that can understand and interpret data from different modalities. Those models could capture the hidden relations between different modalities and possibly recover the complementary information which can not be captured by a uni-modal approach and implicit interactions. The goal of this survey is to provide a comprehensive review of the recent research efforts on the multimodal recommendation. Specifically, it shows a clear pipeline with commonly used techniques in each step and classifies the models by the methods used. Additionally, a code framework has been designed that helps researchers new in this area to understand the principles and techniques, and easily runs the SOTA models. Our framework is located at: //github.com/enoche/MMRec
Graph neural networks (GNNs) have demonstrated a significant boost in prediction performance on graph data. At the same time, the predictions made by these models are often hard to interpret. In that regard, many efforts have been made to explain the prediction mechanisms of these models from perspectives such as GNNExplainer, XGNN and PGExplainer. Although such works present systematic frameworks to interpret GNNs, a holistic review for explainable GNNs is unavailable. In this survey, we present a comprehensive review of explainability techniques developed for GNNs. We focus on explainable graph neural networks and categorize them based on the use of explainable methods. We further provide the common performance metrics for GNNs explanations and point out several future research directions.
Structural data well exists in Web applications, such as social networks in social media, citation networks in academic websites, and threads data in online forums. Due to the complex topology, it is difficult to process and make use of the rich information within such data. Graph Neural Networks (GNNs) have shown great advantages on learning representations for structural data. However, the non-transparency of the deep learning models makes it non-trivial to explain and interpret the predictions made by GNNs. Meanwhile, it is also a big challenge to evaluate the GNN explanations, since in many cases, the ground-truth explanations are unavailable. In this paper, we take insights of Counterfactual and Factual (CF^2) reasoning from causal inference theory, to solve both the learning and evaluation problems in explainable GNNs. For generating explanations, we propose a model-agnostic framework by formulating an optimization problem based on both of the two casual perspectives. This distinguishes CF^2 from previous explainable GNNs that only consider one of them. Another contribution of the work is the evaluation of GNN explanations. For quantitatively evaluating the generated explanations without the requirement of ground-truth, we design metrics based on Counterfactual and Factual reasoning to evaluate the necessity and sufficiency of the explanations. Experiments show that no matter ground-truth explanations are available or not, CF^2 generates better explanations than previous state-of-the-art methods on real-world datasets. Moreover, the statistic analysis justifies the correlation between the performance on ground-truth evaluation and our proposed metrics.
Classic machine learning methods are built on the $i.i.d.$ assumption that training and testing data are independent and identically distributed. However, in real scenarios, the $i.i.d.$ assumption can hardly be satisfied, rendering the sharp drop of classic machine learning algorithms' performances under distributional shifts, which indicates the significance of investigating the Out-of-Distribution generalization problem. Out-of-Distribution (OOD) generalization problem addresses the challenging setting where the testing distribution is unknown and different from the training. This paper serves as the first effort to systematically and comprehensively discuss the OOD generalization problem, from the definition, methodology, evaluation to the implications and future directions. Firstly, we provide the formal definition of the OOD generalization problem. Secondly, existing methods are categorized into three parts based on their positions in the whole learning pipeline, namely unsupervised representation learning, supervised model learning and optimization, and typical methods for each category are discussed in detail. We then demonstrate the theoretical connections of different categories, and introduce the commonly used datasets and evaluation metrics. Finally, we summarize the whole literature and raise some future directions for OOD generalization problem. The summary of OOD generalization methods reviewed in this survey can be found at //out-of-distribution-generalization.com.
Evaluating the quality of learned representations without relying on a downstream task remains one of the challenges in representation learning. In this work, we present Geometric Component Analysis (GeomCA) algorithm that evaluates representation spaces based on their geometric and topological properties. GeomCA can be applied to representations of any dimension, independently of the model that generated them. We demonstrate its applicability by analyzing representations obtained from a variety of scenarios, such as contrastive learning models, generative models and supervised learning models.
Humans have a natural instinct to identify unknown object instances in their environments. The intrinsic curiosity about these unknown instances aids in learning about them, when the corresponding knowledge is eventually available. This motivates us to propose a novel computer vision problem called: `Open World Object Detection', where a model is tasked to: 1) identify objects that have not been introduced to it as `unknown', without explicit supervision to do so, and 2) incrementally learn these identified unknown categories without forgetting previously learned classes, when the corresponding labels are progressively received. We formulate the problem, introduce a strong evaluation protocol and provide a novel solution, which we call ORE: Open World Object Detector, based on contrastive clustering and energy based unknown identification. Our experimental evaluation and ablation studies analyze the efficacy of ORE in achieving Open World objectives. As an interesting by-product, we find that identifying and characterizing unknown instances helps to reduce confusion in an incremental object detection setting, where we achieve state-of-the-art performance, with no extra methodological effort. We hope that our work will attract further research into this newly identified, yet crucial research direction.
Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social networks and recommendation systems. Despite the plethora of different models for deep learning on graphs, few approaches have been proposed thus far for dealing with graphs that present some sort of dynamic nature (e.g. evolving features or connectivity over time). In this paper, we present Temporal Graph Networks (TGNs), a generic, efficient framework for deep learning on dynamic graphs represented as sequences of timed events. Thanks to a novel combination of memory modules and graph-based operators, TGNs are able to significantly outperform previous approaches being at the same time more computationally efficient. We furthermore show that several previous models for learning on dynamic graphs can be cast as specific instances of our framework. We perform a detailed ablation study of different components of our framework and devise the best configuration that achieves state-of-the-art performance on several transductive and inductive prediction tasks for dynamic graphs.