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Multi-marginal Optimal Transport (mOT), a generalization of OT, aims at minimizing the integral of a cost function with respect to a distribution with some prescribed marginals. In this paper, we consider an entropic version of mOT with a tree-structured quadratic cost, i.e., a function that can be written as a sum of pairwise cost functions between the nodes of a tree. To address this problem, we develop Tree-based Diffusion Schr\"odinger Bridge (TreeDSB), an extension of the Diffusion Schr\"odinger Bridge (DSB) algorithm. TreeDSB corresponds to a dynamic and continuous state-space counterpart of the multimarginal Sinkhorn algorithm. A notable use case of our methodology is to compute Wasserstein barycenters which can be recast as the solution of a mOT problem on a star-shaped tree. We demonstrate that our methodology can be applied in high-dimensional settings such as image interpolation and Bayesian fusion.

Despite the advancements in high-performance computing and modern numerical algorithms, the cost remains prohibitive for multi-query kinetic plasma simulations. In this work, we develop data-driven reduced-order models (ROM) for collisionless electrostatic plasma dynamics, based on the kinetic Vlasov-Poisson equation. Our ROM approach projects the equation onto a linear subspace defined by principal proper orthogonal decomposition (POD) modes. We introduce an efficient tensorial method to update the nonlinear term using a precomputed third-order tensor. We capture multiscale behavior with a minimal number of POD modes by decomposing the solution into multiple time windows using a physical-time indicator and creating a temporally-local ROM. Applied to 1D-1V simulations, specifically the benchmark two-stream instability case, our time-windowed reduced-order model (TW-ROM) with the tensorial approach solves the equation approximately 450 times faster than Eulerian simulations while maintaining a maximum relative error of 3% for the training data and 12% for the testing data.

Convergence and compactness properties of approximate solutions to elliptic partial differential computed with the hybridized discontinuous Galerkin (HDG) are established. While it is known that solutions computed using the HDG scheme converge at optimal rates to smooth solutions, this does not establish the stability of the method or convergence to solutions with minimal regularity. The compactness and convergence results show that the HDG scheme can be utilized for the solution of nonlinear problems and linear problems with non-smooth coefficients on domains with reentrant corners.

Neural collapse provides an elegant mathematical characterization of learned last layer representations (a.k.a. features) and classifier weights in deep classification models. Such results not only provide insights but also motivate new techniques for improving practical deep models. However, most of the existing empirical and theoretical studies in neural collapse focus on the case that the number of classes is small relative to the dimension of the feature space. This paper extends neural collapse to cases where the number of classes are much larger than the dimension of feature space, which broadly occur for language models, retrieval systems, and face recognition applications. We show that the features and classifier exhibit a generalized neural collapse phenomenon, where the minimum one-vs-rest margins is maximized.We provide empirical study to verify the occurrence of generalized neural collapse in practical deep neural networks. Moreover, we provide theoretical study to show that the generalized neural collapse provably occurs under unconstrained feature model with spherical constraint, under certain technical conditions on feature dimension and number of classes.

Deep reinforcement learning methods exhibit impressive performance on a range of tasks but still struggle on hard exploration tasks in large environments with sparse rewards. To address this, intrinsic rewards can be generated using forward model prediction errors that decrease as the environment becomes known, and incentivize an agent to explore novel states. While prediction-based intrinsic rewards can help agents solve hard exploration tasks, they can suffer from catastrophic forgetting and actually increase at visited states. We first examine the conditions and causes of catastrophic forgetting in grid world environments. We then propose a new method FARCuriosity, inspired by how humans and animals learn. The method depends on fragmentation and recall: an agent fragments an environment based on surprisal, and uses different local curiosity modules (prediction-based intrinsic reward functions) for each fragment so that modules are not trained on the entire environment. At each fragmentation event, the agent stores the current module in long-term memory (LTM) and either initializes a new module or recalls a previously stored module based on its match with the current state. With fragmentation and recall, FARCuriosity achieves less forgetting and better overall performance in games with varied and heterogeneous environments in the Atari benchmark suite of tasks. Thus, this work highlights the problem of catastrophic forgetting in prediction-based curiosity methods and proposes a solution.

Due to the limited availability of data, existing few-shot learning methods trained from scratch fail to achieve satisfactory performance. In contrast, large-scale pre-trained models such as CLIP demonstrate remarkable few-shot and zero-shot capabilities. To enhance the performance of pre-trained models for downstream tasks, fine-tuning the model on downstream data is frequently necessary. However, fine-tuning the pre-trained model leads to a decrease in its generalizability in the presence of distribution shift, while the limited number of samples in few-shot learning makes the model highly susceptible to overfitting. Consequently, existing methods for fine-tuning few-shot learning primarily focus on fine-tuning the model's classification head or introducing additional structure. In this paper, we introduce a fine-tuning approach termed Feature Discrimination Alignment (FD-Align). Our method aims to bolster the model's generalizability by preserving the consistency of spurious features across the fine-tuning process. Extensive experimental results validate the efficacy of our approach for both ID and OOD tasks. Once fine-tuned, the model can seamlessly integrate with existing methods, leading to performance improvements. Our code can be found in //github.com/skingorz/FD-Align.

We study the sensitivity of infinite-dimensional Bayesian linear inverse problems governed by partial differential equations (PDEs) with respect to modeling uncertainties. In particular, we consider derivative-based sensitivity analysis of the information gain, as measured by the Kullback-Leibler divergence from the posterior to the prior distribution. To facilitate this, we develop a fast and accurate method for computing derivatives of the information gain with respect to auxiliary model parameters. Our approach combines low-rank approximations, adjoint-based eigenvalue sensitivity analysis, and post-optimal sensitivity analysis. The proposed approach also paves way for global sensitivity analysis by computing derivative-based global sensitivity measures. We illustrate different aspects of the proposed approach using an inverse problem governed by a scalar linear elliptic PDE, and an inverse problem governed by the three-dimensional equations of linear elasticity, which is motivated by the inversion of the fault-slip field after an earthquake.

The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.

The generalization mystery in deep learning is the following: Why do over-parameterized neural networks trained with gradient descent (GD) generalize well on real datasets even though they are capable of fitting random datasets of comparable size? Furthermore, from among all solutions that fit the training data, how does GD find one that generalizes well (when such a well-generalizing solution exists)? We argue that the answer to both questions lies in the interaction of the gradients of different examples during training. Intuitively, if the per-example gradients are well-aligned, that is, if they are coherent, then one may expect GD to be (algorithmically) stable, and hence generalize well. We formalize this argument with an easy to compute and interpretable metric for coherence, and show that the metric takes on very different values on real and random datasets for several common vision networks. The theory also explains a number of other phenomena in deep learning, such as why some examples are reliably learned earlier than others, why early stopping works, and why it is possible to learn from noisy labels. Moreover, since the theory provides a causal explanation of how GD finds a well-generalizing solution when one exists, it motivates a class of simple modifications to GD that attenuate memorization and improve generalization. Generalization in deep learning is an extremely broad phenomenon, and therefore, it requires an equally general explanation. We conclude with a survey of alternative lines of attack on this problem, and argue that the proposed approach is the most viable one on this basis.

Object detection typically assumes that training and test data are drawn from an identical distribution, which, however, does not always hold in practice. Such a distribution mismatch will lead to a significant performance drop. In this work, we aim to improve the cross-domain robustness of object detection. We tackle the domain shift on two levels: 1) the image-level shift, such as image style, illumination, etc, and 2) the instance-level shift, such as object appearance, size, etc. We build our approach based on the recent state-of-the-art Faster R-CNN model, and design two domain adaptation components, on image level and instance level, to reduce the domain discrepancy. The two domain adaptation components are based on H-divergence theory, and are implemented by learning a domain classifier in adversarial training manner. The domain classifiers on different levels are further reinforced with a consistency regularization to learn a domain-invariant region proposal network (RPN) in the Faster R-CNN model. We evaluate our newly proposed approach using multiple datasets including Cityscapes, KITTI, SIM10K, etc. The results demonstrate the effectiveness of our proposed approach for robust object detection in various domain shift scenarios.