For effective human-agent teaming, robots and other artificial intelligence (AI) agents must infer their human partner's abilities and behavioral response patterns and adapt accordingly. Most prior works make the unrealistic assumption that one or more teammates can act near-optimally. In real-world collaboration, humans and autonomous agents can be suboptimal, especially when each only has partial domain knowledge. In this work, we develop computational modeling and optimization techniques for enhancing the performance of suboptimal human-agent teams, where the human and the agent have asymmetric capabilities and act suboptimally due to incomplete environmental knowledge. We adopt an online Bayesian approach that enables a robot to infer people's willingness to comply with its assistance in a sequential decision-making game. Our user studies show that user preferences and team performance indeed vary with robot intervention styles, and our approach for mixed-initiative collaborations enhances objective team performance ($p<.001$) and subjective measures, such as user's trust ($p<.001$) and perceived likeability of the robot ($p<.001$).

Uncertainty quantification of neural networks is critical to measuring the reliability and robustness of deep learning systems. However, this often involves costly or inaccurate sampling methods and approximations. This paper presents a sample-free moment propagation technique that propagates mean vectors and covariance matrices across a network to accurately characterize the input-output distributions of neural networks. A key enabler of our technique is an analytic solution for the covariance of random variables passed through nonlinear activation functions, such as Heaviside, ReLU, and GELU. The wide applicability and merits of the proposed technique are shown in experiments analyzing the input-output distributions of trained neural networks and training Bayesian neural networks.

Directed acyclic graphs (DAGs) are widely used to capture causal relationships among components of complex systems (Spirtes et al., 2001; Pearl, 2009; Maathuis et al., 2018). They also form a foundation for causal discovery and inference (Pearl, 2009). Probabilistic graphical models defined on DAGs, known as Bayesian networks (Pearl, 2009), have thus found broad applications in various scientific disciplines, from biology (Markowetz and Spang, 2007; Zhang et al., 2013) and social sciences (Gupta and Kim, 2008), to knowledge representation and machine learning (Heckerman, 1997). However, learning the structure of DAGs from observational data is very challenging due to at least two major factors: First, it may not be possible to infer the direction of edges from observational data alone. In fact, unless the model is identifiable (see, e.g., Peters et al., 2014a), observational data only reveal the structure of the Markov equivalent class of DAGs (Maathuis et al., 2018), captured by a complete partially directed acyclic graph (CPDAG) (Andersson et al., 1997). The second reason is computational--learning DAGs from observational data is an NPcomplete problem (Chickering, 1996). In fact, while a few polynomial time algorithms have been proposed for special cases, including sparse graphs (Kalisch and Bühlmann, 2007) or identifiable models (Chen et al., 2019; Ghoshal and Honorio, 2018; Peters et al., 2014b; Wang and Drton, 2020; Shimizu et al., 2006; Yu et al., 2023), existing general-purpose algorithms are not scalable to problems involving many variables. In spite of the many challenges of learning DAGs in general settings, the problem becomes very manageable if a valid causal ordering among variables is known (Shojaie and Michailidis, 2010). In a valid causal ordering for a DAG G with node set V, any node j can appear before another node k (denoted j k) only if there is no directed path from k to j.

Recent work shows that path gradient estimators for normalizing flows have lower variance compared to standard estimators for variational inference, resulting in improved training. However, they are often prohibitively more expensive from a computational point of view and cannot be applied to maximum likelihood training in a scalable manner, which severely hinders their widespread adoption. In this work, we overcome these crucial limitations. Specifically, we propose a fast path gradient estimator which improves computational efficiency significantly and works for all normalizing flow architectures of practical relevance. We then show that this estimator can also be applied to maximum likelihood training for which it has a regularizing effect as it can take the form of a given target energy function into account. We empirically establish its superior performance and reduced variance for several natural sciences applications.

Probabilistic world models increase data efficiency of model-based reinforcement learning (MBRL) by guiding the policy with their epistemic uncertainty to improve exploration and acquire new samples. Moreover, the uncertainty-aware learning procedures in probabilistic approaches lead to robust policies that are less sensitive to noisy observations compared to uncertainty unaware solutions. We propose to combine trajectory sampling and deep Gaussian covariance network (DGCN) for a data-efficient solution to MBRL problems in an optimal control setting. We compare trajectory sampling with density-based approximation for uncertainty propagation using three different probabilistic world models; Gaussian processes, Bayesian neural networks, and DGCNs. We provide empirical evidence using four different well-known test environments, that our method improves the sample-efficiency over other combinations of uncertainty propagation methods and probabilistic models. During our tests, we place particular emphasis on the robustness of the learned policies with respect to noisy initial states.

With the advancements of artificial intelligence (AI), we're seeing more scenarios that require AI to work closely with other agents, whose goals and strategies might not be known beforehand. However, existing approaches for training collaborative agents often require defined and known reward signals and cannot address the problem of teaming with unknown agents that often have latent objectives/rewards. In response to this challenge, we propose teaming with unknown agents framework, which leverages kernel density Bayesian inverse learning method for active goal deduction and utilizes pre-trained, goal-conditioned policies to enable zero-shot policy adaptation. We prove that unbiased reward estimates in our framework are sufficient for optimal teaming with unknown agents. We further evaluate the framework of redesigned multi-agent particle and StarCraft II micromanagement environments with diverse unknown agents of different behaviors/rewards. Empirical results demonstrate that our framework significantly advances the teaming performance of AI and unknown agents in a wide range of collaborative scenarios.

Navigation safety is critical for many autonomous systems such as self-driving vehicles in an urban environment. It requires an explicit consideration of boundary constraints that describe the borders of any infeasible, non-navigable, or unsafe regions. We propose a principled boundary-aware safe stochastic planning framework with promising results. Our method generates a value function that can strictly distinguish the state values between free (safe) and non-navigable (boundary) spaces in the continuous state, naturally leading to a safe boundary-aware policy. At the core of our solution lies a seamless integration of finite elements and kernel-based functions, where the finite elements allow us to characterize safety-critical states' borders accurately, and the kernel-based function speeds up computation for the non-safety-critical states. The proposed method was evaluated through extensive simulations and demonstrated safe navigation behaviors in mobile navigation tasks. Additionally, we demonstrate that our approach can maneuver safely and efficiently in cluttered real-world environments using a ground vehicle with strong external disturbances, such as navigating on a slippery floor and against external human intervention.

We endeavour to estimate numerous multi-dimensional means of various probability distributions on a common space based on independent samples. Our approach involves forming estimators through convex combinations of empirical means derived from these samples. We introduce two strategies to find appropriate data-dependent convex combination weights: a first one employing a testing procedure to identify neighbouring means with low variance, which results in a closed-form plug-in formula for the weights, and a second one determining weights via minimization of an upper confidence bound on the quadratic risk.Through theoretical analysis, we evaluate the improvement in quadratic risk offered by our methods compared to the empirical means. Our analysis focuses on a dimensional asymptotics perspective, showing that our methods asymptotically approach an oracle (minimax) improvement as the effective dimension of the data increases.We demonstrate the efficacy of our methods in estimating multiple kernel mean embeddings through experiments on both simulated and real-world datasets.

Denoising Diffusion Probabilistic models have become increasingly popular due to their ability to offer probabilistic modeling and generate diverse outputs. This versatility inspired their adaptation for image segmentation, where multiple predictions of the model can produce segmentation results that not only achieve high quality but also capture the uncertainty inherent in the model. Here, powerful architectures were proposed for improving diffusion segmentation performance. However, there is a notable lack of analysis and discussions on the differences between diffusion segmentation and image generation, and thorough evaluations are missing that distinguish the improvements these architectures provide for segmentation in general from their benefit for diffusion segmentation specifically. In this work, we critically analyse and discuss how diffusion segmentation for medical images differs from diffusion image generation, with a particular focus on the training behavior. Furthermore, we conduct an assessment how proposed diffusion segmentation architectures perform when trained directly for segmentation. Lastly, we explore how different medical segmentation tasks influence the diffusion segmentation behavior and the diffusion process could be adapted accordingly. With these analyses, we aim to provide in-depth insights into the behavior of diffusion segmentation that allow for a better design and evaluation of diffusion segmentation methods in the future.

Gene regulatory network inference (GRNI) is a challenging problem, particularly owing to the presence of zeros in single-cell RNA sequencing data: some are biological zeros representing no gene expression, while some others are technical zeros arising from the sequencing procedure (aka dropouts), which may bias GRNI by distorting the joint distribution of the measured gene expressions. Existing approaches typically handle dropout error via imputation, which may introduce spurious relations as the true joint distribution is generally unidentifiable. To tackle this issue, we introduce a causal graphical model to characterize the dropout mechanism, namely, Causal Dropout Model. We provide a simple yet effective theoretical result: interestingly, the conditional independence (CI) relations in the data with dropouts, after deleting the samples with zero values (regardless if technical or not) for the conditioned variables, are asymptotically identical to the CI relations in the original data without dropouts. This particular test-wise deletion procedure, in which we perform CI tests on the samples without zeros for the conditioned variables, can be seamlessly integrated with existing structure learning approaches including constraint-based and greedy score-based methods, thus giving rise to a principled framework for GRNI in the presence of dropouts. We further show that the causal dropout model can be validated from data, and many existing statistical models to handle dropouts fit into our model as specific parametric instances. Empirical evaluation on synthetic, curated, and real-world experimental transcriptomic data comprehensively demonstrate the efficacy of our method.