Data-driven materials design often encounters challenges where systems require or possess qualitative (categorical) information. Metal-organic frameworks (MOFs) are an example of such material systems. The representation of MOFs through different building blocks makes it a challenge for designers to incorporate qualitative information into design optimization. Furthermore, the large number of potential building blocks leads to a combinatorial challenge, with millions of possible MOFs that could be explored through time consuming physics-based approaches. In this work, we integrated Latent Variable Gaussian Process (LVGP) and Multi-Objective Batch-Bayesian Optimization (MOBBO) to identify top-performing MOFs adaptively, autonomously, and efficiently without any human intervention. Our approach provides three main advantages: (i) no specific physical descriptors are required and only building blocks that construct the MOFs are used in global optimization through qualitative representations, (ii) the method is application and property independent, and (iii) the latent variable approach provides an interpretable model of qualitative building blocks with physical justification. To demonstrate the effectiveness of our method, we considered a design space with more than 47,000 MOF candidates. By searching only ~1% of the design space, LVGP-MOBBO was able to identify all MOFs on the Pareto front and more than 97% of the 50 top-performing designs for the CO$_2$ working capacity and CO$_2$/N$_2$ selectivity properties. Finally, we compared our approach with the Random Forest algorithm and demonstrated its efficiency, interpretability, and robustness.

Recognizing the country where a picture has been taken has many potential applications, such as identification of fake news and prevention of disinformation campaigns. Previous works focused on the estimation of the geo-coordinates where a picture has been taken. Yet, recognizing in which country an image was taken could be more critical, from a semantic and forensic point of view, than estimating its spatial coordinates. In the above framework, this paper provides two contributions. First, we introduce the VIPPGeo dataset, containing 3.8 million geo-tagged images. Secondly, we used the dataset to train a model casting the country recognition problem as a classification problem. The experiments show that our model provides better results than the current state of the art. Notably, we found that asking the network to identify the country provides better results than estimating the geo-coordinates and then tracing them back to the country where the picture was taken.

Deploying machine learning (ML) models often requires both fairness and privacy guarantees. Both of these objectives present unique trade-offs with the utility (e.g., accuracy) of the model. However, the mutual interactions between fairness, privacy, and utility are less well-understood. As a result, often only one objective is optimized, while the others are tuned as hyper-parameters. Because they implicitly prioritize certain objectives, such designs bias the model in pernicious, undetectable ways. To address this, we adopt impartiality as a principle: design of ML pipelines should not favor one objective over another. We propose impartially-specified models, which provide us with accurate Pareto frontiers that show the inherent trade-offs between the objectives. Extending two canonical ML frameworks for privacy-preserving learning, we provide two methods (FairDP-SGD and FairPATE) to train impartially-specified models and recover the Pareto frontier. Through theoretical privacy analysis and a comprehensive empirical study, we provide an answer to the question of where fairness mitigation should be integrated within a privacy-aware ML pipeline.

Keyphrase extraction aims at automatically extracting a list of "important" phrases representing the key concepts in a document. Prior approaches for unsupervised keyphrase extraction resorted to heuristic notions of phrase importance via embedding clustering or graph centrality, requiring extensive domain expertise. Our work presents a simple alternative approach which defines keyphrases as document phrases that are salient for predicting the topic of the document. To this end, we propose INSPECT -- an approach that uses self-explaining models for identifying influential keyphrases in a document by measuring the predictive impact of input phrases on the downstream task of the document topic classification. We show that this novel method not only alleviates the need for ad-hoc heuristics but also achieves state-of-the-art results in unsupervised keyphrase extraction in four datasets across two domains: scientific publications and news articles.

Collecting personally identifiable information (PII) on data subjects has become big business. Data brokers and data processors are part of a multi-billion-dollar industry that profits from collecting, buying, and selling consumer data. Yet there is little transparency in the data collection industry which makes it difficult to understand what types of data are being collected, used, and sold, and thus the risk to individual data subjects. In this study, we examine a large textual dataset of privacy policies from 1997-2019 in order to investigate the data collection activities of data brokers and data processors. We also develop an original lexicon of PII-related terms representing PII data types curated from legislative texts. This mesoscale analysis looks at privacy policies overtime on the word, topic, and network levels to understand the stability, complexity, and sensitivity of privacy policies over time. We find that (1) privacy legislation correlates with changes in stability and turbulence of PII data types in privacy policies; (2) the complexity of privacy policies decreases over time and becomes more regularized; (3) sensitivity rises over time and shows spikes that are correlated with events when new privacy legislation is introduced.

Population synthesis consists of generating synthetic but realistic representations of a target population of micro-agents for the purpose of behavioral modeling and simulation. We introduce a new framework based on copulas to generate synthetic data for a target population of which only the empirical marginal distributions are known by using a sample from another population sharing similar marginal dependencies. This makes it possible to include a spatial component in the generation of population synthesis and to combine various sources of information to obtain more realistic population generators. Specifically, we normalize the data and treat them as realizations of a given copula, and train a generative model on the normalized data before injecting the information on the marginals. We compare the copulas framework to IPF and to modern probabilistic approaches such as Bayesian networks, variational auto-encoders, and generative adversarial networks. We also illustrate on American Community Survey data that the method proposed allows to study the structure of the data at different geographical levels in a way that is robust to the peculiarities of the marginal distributions.

Wikipedia is one of the richest knowledge sources on the Web today. In order to facilitate navigating, searching, and maintaining its content, Wikipedia's guidelines state that all articles should be annotated with a so-called short description indicating the article's topic (e.g., the short description of beer is "Alcoholic drink made from fermented cereal grains"). Nonetheless, a large fraction of articles (ranging from 10.2% in Dutch to 99.7% in Kazakh) have no short description yet, with detrimental effects for millions of Wikipedia users. Motivated by this problem, we introduce the novel task of automatically generating short descriptions for Wikipedia articles and propose Descartes, a multilingual model for tackling it. Descartes integrates three sources of information to generate an article description in a target language: the text of the article in all its language versions, the already-existing descriptions (if any) of the article in other languages, and semantic type information obtained from a knowledge graph. We evaluate a Descartes model trained for handling 25 languages simultaneously, showing that it beats baselines (including a strong translation-based baseline) and performs on par with monolingual models tailored for specific languages. A human evaluation on three languages further shows that the quality of Descartes's descriptions is largely indistinguishable from that of human-written descriptions; e.g., 91.3% of our English descriptions (vs. 92.1% of human-written descriptions) pass the bar for inclusion in Wikipedia, suggesting that Descartes is ready for production, with the potential to support human editors in filling a major gap in today's Wikipedia across languages.

Despite a plethora of proposed theories, understanding why deep neural networks are susceptible to adversarial attacks remains an open question. A promising recent strand of research investigates adversarial attacks within the training data distribution, providing a more stringent and worrisome definition for these attacks. These theories posit that the key issue is that in high dimensional datasets, most data points are close to the ground-truth class boundaries. This has been shown in theory for some simple data distributions, but it is unclear if this theory is relevant in practice. Here, we demonstrate the existence of in-distribution adversarial examples for object recognition. This result provides evidence supporting theories attributing adversarial examples to the proximity of data to ground-truth class boundaries, and calls into question other theories which do not account for this more stringent definition of adversarial attacks. These experiments are enabled by our novel gradient-free, evolutionary strategies (ES) based approach for finding in-distribution adversarial examples in 3D rendered objects, which we call CMA-Search.

Propaganda campaigns have long been used to influence public opinion via disseminating biased and/or misleading information. Despite the increasing prevalence of propaganda content on the Internet, few attempts have been made by AI researchers to analyze such content. We introduce the task of multimodal propaganda processing, where the goal is to automatically analyze propaganda content. We believe that this task presents a long-term challenge to AI researchers and that successful processing of propaganda could bring machine understanding one important step closer to human understanding. We discuss the technical challenges associated with this task and outline the steps that need to be taken to address it.

Predictive algorithms are now used to help distribute a large share of our society's resources and sanctions, such as healthcare, loans, criminal detentions, and tax audits. Under the right circumstances, these algorithms can improve the efficiency and equity of decision-making. At the same time, there is a danger that the algorithms themselves could entrench and exacerbate disparities, particularly along racial, ethnic, and gender lines. To help ensure their fairness, many researchers suggest that algorithms be subject to at least one of three constraints: (1) no use of legally protected features, such as race, ethnicity, and gender; (2) equal rates of "positive" decisions across groups; and (3) equal error rates across groups. Here we show that these constraints, while intuitively appealing, often worsen outcomes for individuals in marginalized groups, and can even leave all groups worse off. The inherent trade-off we identify between formal fairness constraints and welfare improvements -- particularly for the marginalized -- highlights the need for a more robust discussion on what it means for an algorithm to be "fair". We illustrate these ideas with examples from healthcare and the criminal-legal system, and make several proposals to help practitioners design more equitable algorithms.