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Robustness to distribution shift and fairness have independently emerged as two important desiderata required of modern machine learning models. While these two desiderata seem related, the connection between them is often unclear in practice. Here, we discuss these connections through a causal lens, focusing on anti-causal prediction tasks, where the input to a classifier (e.g., an image) is assumed to be generated as a function of the target label and the protected attribute. By taking this perspective, we draw explicit connections between a common fairness criterion - separation - and a common notion of robustness - risk invariance. These connections provide new motivation for applying the separation criterion in anticausal settings, and inform old discussions regarding fairness-performance tradeoffs. In addition, our findings suggest that robustness-motivated approaches can be used to enforce separation, and that they often work better in practice than methods designed to directly enforce separation. Using a medical dataset, we empirically validate our findings on the task of detecting pneumonia from X-rays, in a setting where differences in prevalence across sex groups motivates a fairness mitigation. Our findings highlight the importance of considering causal structure when choosing and enforcing fairness criteria.

Autonomous inspection tasks necessitate effective path-planning mechanisms to efficiently gather observations from points of interest (POI). However, localization errors commonly encountered in urban environments can introduce execution uncertainty, posing challenges to the successful completion of such tasks. To tackle these challenges, we present IRIS-under uncertainty (IRIS-U^2), an extension of the incremental random inspection-roadmap search (IRIS) algorithm, that addresses the offline planning problem via an A*-based approach, where the planning process occurs prior the online execution. The key insight behind IRIS-U^2 is transforming the computed localization uncertainty, obtained through Monte Carlo (MC) sampling, into a POI probability. IRIS-U^2 offers insights into the expected performance of the execution task by providing confidence intervals (CI) for the expected coverage, expected path length, and collision probability, which becomes progressively tighter as the number of MC samples increase. The efficacy of IRIS-U^2 is demonstrated through a case study focusing on structural inspections of bridges. Our approach exhibits improved expected coverage, reduced collision probability, and yields increasingly-precise CIs as the number of MC samples grows. Furthermore, we emphasize the potential advantages of computing bounded sub-optimal solutions to reduce computation time while still maintaining the same CI boundaries.

Transformers have become the dominant model in deep learning, but the reason for their superior performance is poorly understood. Here, we hypothesize that the strong performance of Transformers stems from an architectural bias towards mesa-optimization, a learned process running within the forward pass of a model consisting of the following two steps: (i) the construction of an internal learning objective, and (ii) its corresponding solution found through optimization. To test this hypothesis, we reverse-engineer a series of autoregressive Transformers trained on simple sequence modeling tasks, uncovering underlying gradient-based mesa-optimization algorithms driving the generation of predictions. Moreover, we show that the learned forward-pass optimization algorithm can be immediately repurposed to solve supervised few-shot tasks, suggesting that mesa-optimization might underlie the in-context learning capabilities of large language models. Finally, we propose a novel self-attention layer, the mesa-layer, that explicitly and efficiently solves optimization problems specified in context. We find that this layer can lead to improved performance in synthetic and preliminary language modeling experiments, adding weight to our hypothesis that mesa-optimization is an important operation hidden within the weights of trained Transformers.

Conditional graph entropy is known to be the minimal rate for a natural functional compression problem with side information at the receiver. In this paper we show that it can be formulated as an alternating minimization problem, which gives rise to a simple iterative algorithm for numerically computing (conditional) graph entropy. This also leads to a new formula which shows that conditional graph entropy is part of a more general framework: the solution of an optimization problem over a convex corner. In the special case of graph entropy (i.e., unconditioned version) this was known due to Csisz\'ar, K\"orner, Lov\'asz, Marton, and Simonyi. In that case the role of the convex corner was played by the so-called vertex packing polytope. In the conditional version it is a more intricate convex body but the function to minimize is the same. Furthermore, we describe a dual problem that leads to an optimality check and an error bound for the iterative algorithm.

With the increasing availability of large scale datasets, computational power and tools like automatic differentiation and expressive neural network architectures, sequential data are now often treated in a data-driven way, with a dynamical model trained from the observation data. While neural networks are often seen as uninterpretable black-box architectures, they can still benefit from physical priors on the data and from mathematical knowledge. In this paper, we use a neural network architecture which leverages the long-known Koopman operator theory to embed dynamical systems in latent spaces where their dynamics can be described linearly, enabling a number of appealing features. We introduce methods that enable to train such a model for long-term continuous reconstruction, even in difficult contexts where the data comes in irregularly-sampled time series. The potential for self-supervised learning is also demonstrated, as we show the promising use of trained dynamical models as priors for variational data assimilation techniques, with applications to e.g. time series interpolation and forecasting.

We conduct a detailed investigation of tempered posteriors and uncover a number of crucial and previously undiscussed points. Contrary to previous results, we first show that for realistic models and datasets and the tightly controlled case of the Laplace approximation to the posterior, stochasticity does not in general improve test accuracy. The coldest temperature is often optimal. One might think that Bayesian models with some stochasticity can at least obtain improvements in terms of calibration. However, we show empirically that when gains are obtained this comes at the cost of degradation in test accuracy. We then discuss how targeting Frequentist metrics using Bayesian models provides a simple explanation of the need for a temperature parameter $\lambda$ in the optimization objective. Contrary to prior works, we finally show through a PAC-Bayesian analysis that the temperature $\lambda$ cannot be seen as simply fixing a misspecified prior or likelihood.

The nonnegative rank of nonnegative matrices is an important quantity that appears in many fields, such as combinatorial optimization, communication complexity, and information theory. In this paper, we study the asymptotic growth of the nonnegative rank of a fixed nonnegative matrix under Kronecker product. This quantity is called the asymptotic nonnegative rank, which is already studied in information theory. By applying the theory of asymptotic spectra of V. Strassen (J. Reine Angew. Math. 1988), we introduce the asymptotic spectrum of nonnegative matrices and give a dual characterization of the asymptotic nonnegative rank. As the opposite of nonnegative rank, we introduce the notion of the subrank of a nonnegative matrix and show that it is exactly equal to the size of the maximum induced matching of the bipartite graph defined on the support of the matrix (therefore, independent of the value of entries). Finally, we show that two matrix parameters, namely rank and fractional cover number, belong to the asymptotic spectrum of nonnegative matrices.

Quantile regression is used to study effects of covariates on a particular quantile of the data distribution. Here we are interested in the question whether a covariate has any effect on the entire data distribution, i.e., on any of the quantiles. To this end, we treat all the quantiles simultaneously and consider global tests for the existence of the covariate effect in the presence of nuisance covariates. This global quantile regression can be used as the extension of linear regression or as the extension of distribution comparison in the sense of Kolmogorov-Smirnov test. The proposed method is based on pointwise coefficients, permutations and global envelope tests. The global envelope test serves as the multiple test adjustment procedure under the control of the family-wise error rate and provides the graphical interpretation which automatically shows the quantiles or the levels of categorical covariate responsible for the rejection. The Freedman-Lane permutation strategy showed liberality of the test for extreme quantiles, therefore we propose four alternatives that work well even for extreme quantiles and are suitable in different conditions. We present a simulation study to inspect the performance of these strategies, and we apply the chosen strategies to two data examples.

In order to perform isogeometric analysis with increased smoothness on complex domains, trimming, variational coupling or unstructured spline methods can be used. The latter two classes of methods require a multi-patch segmentation of the domain, and provide continuous bases along patch interfaces. In the context of shell modeling, variational methods are widely used, whereas the application of unstructured spline methods on shell problems is rather scarce. In this paper, we therefore provide a qualitative and a quantitative comparison of a selection of unstructured spline constructions, in particular the D-Patch, Almost-$C^1$, Analysis-Suitable $G^1$ and the Approximate $C^1$ constructions. Using this comparison, we aim to provide insight into the selection of methods for practical problems, as well as directions for future research. In the qualitative comparison, the properties of each method are evaluated and compared. In the quantitative comparison, a selection of numerical examples is used to highlight different advantages and disadvantages of each method. In the latter, comparison with weak coupling methods such as Nitsche's method or penalty methods is made as well. In brief, it is concluded that the Approximate $C^1$ and Analysis-Suitable $G^1$ converge optimally in the analysis of a bi-harmonic problem, without the need of special refinement procedures. Furthermore, these methods provide accurate stress fields. On the other hand, the Almost-$C^1$ and D-Patch provide relatively easy construction on complex geometries. The Almost-$C^1$ method does not have limitations on the valence of boundary vertices, unlike the D-Patch, but is only applicable to biquadratic local bases. Following from these conclusions, future research directions are proposed, for example towards making the Approximate $C^1$ and Analysis-Suitable $G^1$ applicable to more complex geometries.

Graph-centric artificial intelligence (graph AI) has achieved remarkable success in modeling interacting systems prevalent in nature, from dynamical systems in biology to particle physics. The increasing heterogeneity of data calls for graph neural architectures that can combine multiple inductive biases. However, combining data from various sources is challenging because appropriate inductive bias may vary by data modality. Multimodal learning methods fuse multiple data modalities while leveraging cross-modal dependencies to address this challenge. Here, we survey 140 studies in graph-centric AI and realize that diverse data types are increasingly brought together using graphs and fed into sophisticated multimodal models. These models stratify into image-, language-, and knowledge-grounded multimodal learning. We put forward an algorithmic blueprint for multimodal graph learning based on this categorization. The blueprint serves as a way to group state-of-the-art architectures that treat multimodal data by choosing appropriately four different components. This effort can pave the way for standardizing the design of sophisticated multimodal architectures for highly complex real-world problems.