Feature attribution a.k.a. input salience methods which assign an importance score to a feature are abundant but may produce surprisingly different results for the same model on the same input. While differences are expected if disparate definitions of importance are assumed, most methods claim to provide faithful attributions and point at the features most relevant for a model's prediction. Existing work on faithfulness evaluation is not conclusive and does not provide a clear answer as to how different methods are to be compared. Focusing on text classification and the model debugging scenario, our main contribution is a protocol for faithfulness evaluation that makes use of partially synthetic data to obtain ground truth for feature importance ranking. Following the protocol, we do an in-depth analysis of four standard salience method classes on a range of datasets and shortcuts for BERT and LSTM models and demonstrate that some of the most popular method configurations provide poor results even for simplest shortcuts. We recommend following the protocol for each new task and model combination to find the best method for identifying shortcuts.

Social media has been one of the main information consumption sources for the public, allowing people to seek and spread information more quickly and easily. However, the rise of various social media platforms also enables the proliferation of online misinformation. In particular, misinformation in the health domain has significant impacts on our society such as the COVID-19 infodemic. Therefore, health misinformation in social media has become an emerging research direction that attracts increasing attention from researchers of different disciplines. Compared to misinformation in other domains, the key differences of health misinformation include the potential of causing actual harm to humans' bodies and even lives, the hardness to identify for normal people, and the deep connection with medical science. In addition, health misinformation on social media has distinct characteristics from conventional channels such as television on multiple dimensions including the generation, dissemination, and consumption paradigms. Because of the uniqueness and importance of combating health misinformation in social media, we conduct this survey to further facilitate interdisciplinary research on this problem. In this survey, we present a comprehensive review of existing research about online health misinformation in different disciplines. Furthermore, we also systematically organize the related literature from three perspectives: characterization, detection, and intervention. Lastly, we conduct a deep discussion on the pressing open issues of combating health misinformation in social media and provide future directions for multidisciplinary researchers.

While there have been a number of remarkable breakthroughs in machine learning (ML), much of the focus has been placed on model development. However, to truly realize the potential of machine learning in real-world settings, additional aspects must be considered across the ML pipeline. Data-centric AI is emerging as a unifying paradigm that could enable such reliable end-to-end pipelines. However, this remains a nascent area with no standardized framework to guide practitioners to the necessary data-centric considerations or to communicate the design of data-centric driven ML systems. To address this gap, we propose DC-Check, an actionable checklist-style framework to elicit data-centric considerations at different stages of the ML pipeline: Data, Training, Testing, and Deployment. This data-centric lens on development aims to promote thoughtfulness and transparency prior to system development. Additionally, we highlight specific data-centric AI challenges and research opportunities. DC-Check is aimed at both practitioners and researchers to guide day-to-day development. As such, to easily engage with and use DC-Check and associated resources, we provide a DC-Check companion website (https://www.vanderschaar-lab.com/dc-check/). The website will also serve as an updated resource as methods and tooling evolve over time.

Writing complete stories is considered a hallmark display of human intelligence, and thus researchers in artificial intelligence (AI) and natural language generation (NLG) have long used it as a pinnacle task for their research (Klein et al., 1973; Meehan, 1977; Turner, 1993; Dehn, 1981; Liu and Singh, 2002; McIntyre and Lapata, 2009). Creative writing and storytelling present unique challenges for automatic language generation: story arcs extend over thousands of words, stories typically contain multiple characters with their own distinctive personas and voices, and well-written stories have an authorial voice that is consistent and identifiable. At the same time, lies and fabrications-common generation flaws which are a liability in tasks like machine translation and automatic summarization-can be an asset in the creative domain. In recent years, the field of NLG has progressed by leaps and bounds due to the development of neural language models capable of learning the structure of language by ingesting billions of written words (Chowdhery et al., 2022; Zhang et al., 2022; Brown et al., 2020). There has been considerable work in applying these advancements toward the development of AI-powered tools for creative writing, but nearly all previous research in this space has evaluated their methods either with amateur writers or with crowd workers paid to assess performance on narrowly defined tasks (Clark et al., 2018; Roemmele and Gordon, 2015; Nichols et al., 2020). While these sorts of evaluations are valuable as preliminary assessments, we believe it is also crucial to solicit feedback from actual domain experts in creative writing: professional writers, educators, and language experts. Skilled writers comprise a unique user group with a different set of needs and expectations than amateurs.

Agent-based modeling (ABM) is a well-established paradigm for simulating complex systems via interactions between constituent entities. Machine learning (ML) refers to approaches whereby statistical algorithms 'learn' from data on their own, without imposing a priori theories of system behavior. Biological systems -- from molecules, to cells, to entire organisms -- consist of vast numbers of entities, governed by complex webs of interactions that span many spatiotemporal scales and exhibit nonlinearity, stochasticity and intricate coupling between entities. The macroscopic properties and collective dynamics of such systems are difficult to capture via continuum modelling and mean-field formalisms. ABM takes a 'bottom-up' approach that obviates these difficulties by enabling one to easily propose and test a set of well-defined 'rules' to be applied to the individual entities (agents) in a system. Evaluating a system and propagating its state over discrete time-steps effectively simulates the system, allowing observables to be computed and system properties to be analyzed. Because the rules that govern an ABM can be difficult to abstract and formulate from experimental data, there is an opportunity to use ML to help infer optimal, system-specific ABM rules. Once such rule-sets are devised, ABM calculations can generate a wealth of data, and ML can be applied there too -- e.g., to probe statistical measures that meaningfully describe a system's stochastic properties. As an example of synergy in the other direction (from ABM to ML), ABM simulations can generate realistic datasets for training ML algorithms (e.g., for regularization, to mitigate overfitting). In these ways, one can envision various synergistic ABM$\rightleftharpoons$ML loops. This review summarizes how ABM and ML have been integrated in contexts that span spatiotemporal scales, from cellular to population-level epidemiology.

A major concern of Machine Learning (ML) models is their opacity. They are deployed in an increasing number of applications where they often operate as black boxes that do not provide explanations for their predictions. Among others, the potential harms associated with the lack of understanding of the models' rationales include privacy violations, adversarial manipulations, and unfair discrimination. As a result, the accountability and transparency of ML models have been posed as critical desiderata by works in policy and law, philosophy, and computer science. In computer science, the decision-making process of ML models has been studied by developing accountability and transparency methods. Accountability methods, such as adversarial attacks and diagnostic datasets, expose vulnerabilities of ML models that could lead to malicious manipulations or systematic faults in their predictions. Transparency methods explain the rationales behind models' predictions gaining the trust of relevant stakeholders and potentially uncovering mistakes and unfairness in models' decisions. To this end, transparency methods have to meet accountability requirements as well, e.g., being robust and faithful to the underlying rationales of a model. This thesis presents my research that expands our collective knowledge in the areas of accountability and transparency of ML models developed for complex reasoning tasks over text.

Many recent perturbation studies have found unintuitive results on what does and does not matter when performing Natural Language Understanding (NLU) tasks in English. Coding properties, such as the order of words, can often be removed through shuffling without impacting downstream performances. Such insight may be used to direct future research into English NLP models. As many improvements in multilingual settings consist of wholesale adaptation of English approaches, it is important to verify whether those studies replicate or not in multilingual settings. In this work, we replicate a study on the importance of local structure, and the relative unimportance of global structure, in a multilingual setting. We find that the phenomenon observed on the English language broadly translates to over 120 languages, with a few caveats.

Large language models (LLMs) have led to a series of breakthroughs in natural language processing (NLP), owing to their excellent understanding and generation abilities. Remarkably, what further sets these models apart is the massive amounts of world knowledge they internalize during pretraining. While many downstream applications provide the model with an informational context to aid its performance on the underlying task, how the model's world knowledge interacts with the factual information presented in the context remains under explored. As a desirable behavior, an LLM should give precedence to the context whenever it contains task-relevant information that conflicts with the model's memorized knowledge. This enables model predictions to be grounded in the context, which can then be used to update or correct specific model predictions without frequent retraining. By contrast, when the context is irrelevant to the task, the model should ignore it and fall back on its internal knowledge. In this paper, we undertake a first joint study of the aforementioned two properties, namely controllability and robustness, in the context of LLMs. We demonstrate that state-of-the-art T5 and PaLM (both pretrained and finetuned) could exhibit poor controllability and robustness, which do not scale with increasing model size. As a solution, we propose a novel method - Knowledge Aware FineTuning (KAFT) - to strengthen both controllability and robustness by incorporating counterfactual and irrelevant contexts to standard supervised datasets. Our comprehensive evaluation showcases the utility of KAFT across model architectures and sizes.

We propose an algorithm for learning a conditional generative model of a molecule given a target. Specifically, given a receptor molecule that one wishes to bind to, the conditional model generates candidate ligand molecules that may bind to it. The distribution should be invariant to rigid body transformations that act $\textit{jointly}$ on the ligand and the receptor; it should also be invariant to permutations of either the ligand or receptor atoms. Our learning algorithm is based on a continuous normalizing flow. We establish semi-equivariance conditions on the flow which guarantee the aforementioned invariance conditions on the conditional distribution. We propose a graph neural network architecture which implements this flow, and which is designed to learn effectively despite the vast differences in size between the ligand and receptor. We evaluate our method on the CrossDocked2020 dataset, attaining a significant improvement in binding affinity over competing methods.

A key challenge in science and engineering is to design experiments to learn about some unknown quantity of interest. Classical experimental design optimally allocates the experimental budget to maximize a notion of utility (e.g., reduction in uncertainty about the unknown quantity). We consider a rich setting, where the experiments are associated with states in a {\em Markov chain}, and we can only choose them by selecting a {\em policy} controlling the state transitions. This problem captures important applications, from exploration in reinforcement learning to spatial monitoring tasks. We propose an algorithm -- \textsc{markov-design} -- that efficiently selects policies whose measurement allocation \emph{provably converges to the optimal one}. The algorithm is sequential in nature, adapting its choice of policies (experiments) informed by past measurements. In addition to our theoretical analysis, we showcase our framework on applications in ecological surveillance and pharmacology.