AI/ML models have rapidly gained prominence as innovations for solving previously unsolved problems and their unintended consequences from amplifying human biases. Advocates for responsible AI/ML have sought ways to draw on the richer causal models of system dynamics to better inform the development of responsible AI/ML. However, a major barrier to advancing this work is the difficulty of bringing together methods rooted in different underlying assumptions (i.e., Dana Meadow's "the unavoidable a priori"). This paper brings system dynamics and structural equation modeling together into a common mathematical framework that can be used to generate systems from distributions, develop methods, and compare results to inform the underlying epistemology of system dynamics for data science and AI/ML applications.

Current deep learning-based solutions for image analysis tasks are commonly incapable of handling problems to which multiple different plausible solutions exist. In response, posterior-based methods such as conditional Diffusion Models and Invertible Neural Networks have emerged; however, their translation is hampered by a lack of research on adequate validation. In other words, the way progress is measured often does not reflect the needs of the driving practical application. Closing this gap in the literature, we present the first systematic framework for the application-driven validation of posterior-based methods in inverse problems. As a methodological novelty, it adopts key principles from the field of object detection validation, which has a long history of addressing the question of how to locate and match multiple object instances in an image. Treating modes as instances enables us to perform mode-centric validation, using well-interpretable metrics from the application perspective. We demonstrate the value of our framework through instantiations for a synthetic toy example and two medical vision use cases: pose estimation in surgery and imaging-based quantification of functional tissue parameters for diagnostics. Our framework offers key advantages over common approaches to posterior validation in all three examples and could thus revolutionize performance assessment in inverse problems.

Research on manifold learning within a density ridge estimation framework has shown great potential in recent work for both estimation and de-noising of manifolds, building on the intuitive and well-defined notion of principal curves and surfaces. However, the problem of unwrapping or unfolding manifolds has received relatively little attention within the density ridge approach, despite being an integral part of manifold learning in general. This paper proposes two novel algorithms for unwrapping manifolds based on estimated principal curves and surfaces for one- and multi-dimensional manifolds respectively. The methods of unwrapping are founded in the realization that both principal curves and principal surfaces will have inherent local maxima of the probability density function. Following this observation, coordinate systems that follow the shape of the manifold can be computed by following the integral curves of the gradient flow of a kernel density estimate on the manifold. Furthermore, since integral curves of the gradient flow of a kernel density estimate is inherently local, we propose to stitch together local coordinate systems using parallel transport along the manifold. We provide numerical experiments on both real and synthetic data that illustrates clear and intuitive unwrapping results comparable to state-of-the-art manifold learning algorithms.