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An established normative approach for understanding the algorithmic basis of neural computation is to derive online algorithms from principled computational objectives and evaluate their compatibility with anatomical and physiological observations. Similarity matching objectives have served as successful starting points for deriving online algorithms that map onto neural networks (NNs) with point neurons and Hebbian/anti-Hebbian plasticity. These NN models account for many anatomical and physiological observations; however, the objectives have limited computational power and the derived NNs do not explain multi-compartmental neuronal structures and non-Hebbian forms of plasticity that are prevalent throughout the brain. In this article, we unify and generalize recent extensions of the similarity matching approach to address more complex objectives, including a large class of unsupervised and self-supervised learning tasks that can be formulated as symmetric generalized eigenvalue problems or nonnegative matrix factorization problems. Interestingly, the online algorithms derived from these objectives naturally map onto NNs with multi-compartmental neurons and local, non-Hebbian learning rules. Therefore, this unified extension of the similarity matching approach provides a normative framework that facilitates understanding multi-compartmental neuronal structures and non-Hebbian plasticity found throughout the brain.

Mesh-based simulations play a key role when modeling complex physical systems that, in many disciplines across science and engineering, require the solution of parametrized time-dependent nonlinear partial differential equations (PDEs). In this context, full order models (FOMs), such as those relying on the finite element method, can reach high levels of accuracy, however often yielding intensive simulations to run. For this reason, surrogate models are developed to replace computationally expensive solvers with more efficient ones, which can strike favorable trade-offs between accuracy and efficiency. This work explores the potential usage of graph neural networks (GNNs) for the simulation of time-dependent PDEs in the presence of geometrical variability. In particular, we propose a systematic strategy to build surrogate models based on a data-driven time-stepping scheme where a GNN architecture is used to efficiently evolve the system. With respect to the majority of surrogate models, the proposed approach stands out for its ability of tackling problems with parameter dependent spatial domains, while simultaneously generalizing to different geometries and mesh resolutions. We assess the effectiveness of the proposed approach through a series of numerical experiments, involving both two- and three-dimensional problems, showing that GNNs can provide a valid alternative to traditional surrogate models in terms of computational efficiency and generalization to new scenarios. We also assess, from a numerical standpoint, the importance of using GNNs, rather than classical dense deep neural networks, for the proposed framework.

The capacity of a channel characterizes the maximum rate at which information can be transmitted through the channel asymptotically faithfully. For a channel with multiple senders and a single receiver, computing its sum capacity is possible in theory, but challenging in practice because of the nonconvex optimization involved. To address this challenge, we investigate three topics in our study. In the first part, we study the sum capacity of a family of multiple access channels (MACs) obtained from nonlocal games. For any MAC in this family, we obtain an upper bound on the sum rate that depends only on the properties of the game when allowing assistance from an arbitrary set of correlations between the senders. This approach can be used to prove separations between sum capacities when the senders are allowed to share different sets of correlations, such as classical, quantum or no-signalling correlations. We also construct a specific nonlocal game to show that the approach of bounding the sum capacity by relaxing the nonconvex optimization can give arbitrarily loose bounds. Owing to this result, in the second part, we study algorithms for non-convex optimization of a class of functions we call Lipschitz-like functions. This class includes entropic quantities, and hence these results may be of independent interest in information theory. Subsequently, in the third part, we show that one can use these techniques to compute the sum capacity of an arbitrary two-sender MACs to a fixed additive precision in quasi-polynomial time. We showcase our method by efficiently computing the sum capacity of a family of two-sender MACs for which one of the input alphabets has size two. Furthermore, we demonstrate with an example that our algorithm may compute the sum capacity to a higher precision than using the convex relaxation.

We present Surjective Sequential Neural Likelihood (SSNL) estimation, a novel method for simulation-based inference in models where the evaluation of the likelihood function is not tractable and only a simulator that can generate synthetic data is available. SSNL fits a dimensionality-reducing surjective normalizing flow model and uses it as a surrogate likelihood function which allows for conventional Bayesian inference using either Markov chain Monte Carlo methods or variational inference. By embedding the data in a low-dimensional space, SSNL solves several issues previous likelihood-based methods had when applied to high-dimensional data sets that, for instance, contain non-informative data dimensions or lie along a lower-dimensional manifold. We evaluate SSNL on a wide variety of experiments and show that it generally outperforms contemporary methods used in simulation-based inference, for instance, on a challenging real-world example from astrophysics which models the magnetic field strength of the sun using a solar dynamo model.

Network control theory can be used to model how one should steer the brain between different states by driving a specific region with an input. The needed energy to control a network is often used to quantify its controllability, and controlling brain networks requires diverse energy depending on the selected input region. We use the theory of how input node placement affects the longest control chain (LCC) in the controllability of brain networks to study the role of the architecture of white matter fibers in the required control energy. We show that the energy needed to control human brain networks is related to the LCC, i.e., the longest distance between the input region and other regions in the network. We indicate that regions that control brain networks with lower energy have small LCCs. These regions align with areas that can steer the brain around the state space smoothly. By contrast, regions that need higher energy to move the brain toward different target states have larger LCCs. We also investigate the role of the number of paths between regions in the control energy. Our results show that the more paths between regions, the lower cost needed to control brain networks. We evaluate the number of paths by counting specific motifs in brain networks since determining all paths in graphs is a difficult problem.

Multivariate histograms are difficult to construct due to the curse of dimensionality. Motivated by $k$-d trees in computer science, we show how to construct an efficient data-adaptive partition of Euclidean space that possesses the following two properties: With high confidence the distribution from which the data are generated is close to uniform on each rectangle of the partition; and despite the data-dependent construction we can give guaranteed finite sample simultaneous confidence intervals for the probabilities (and hence for the average densities) of each rectangle in the partition. This partition will automatically adapt to the sizes of the regions where the distribution is close to uniform. The methodology produces confidence intervals whose widths depend only on the probability content of the rectangles and not on the dimensionality of the space, thus avoiding the curse of dimensionality. Moreover, the widths essentially match the optimal widths in the univariate setting. The simultaneous validity of the confidence intervals allows to use this construction, which we call {\sl Beta-trees}, for various data-analytic purposes. We illustrate this by using Beta-trees for visualizing data and for multivariate mode-hunting.

Physics-informed neural networks (PINNs) have emerged as a powerful tool for solving inverse problems, especially in cases where no complete information about the system is known and scatter measurements are available. This is especially useful in hemodynamics since the boundary information is often difficult to model, and high-quality blood flow measurements are generally hard to obtain. In this work, we use the PINNs methodology for estimating reduced-order model parameters and the full velocity field from scatter 2D noisy measurements in the ascending aorta. The results show stable and accurate parameter estimations when using the method with simulated data, while the velocity reconstruction shows dependence on the measurement quality and the flow pattern complexity. The method allows for solving clinical-relevant inverse problems in hemodynamics and complex coupled physical systems.

We hypothesize that due to the greedy nature of learning in multi-modal deep neural networks, these models tend to rely on just one modality while under-fitting the other modalities. Such behavior is counter-intuitive and hurts the models' generalization, as we observe empirically. To estimate the model's dependence on each modality, we compute the gain on the accuracy when the model has access to it in addition to another modality. We refer to this gain as the conditional utilization rate. In the experiments, we consistently observe an imbalance in conditional utilization rates between modalities, across multiple tasks and architectures. Since conditional utilization rate cannot be computed efficiently during training, we introduce a proxy for it based on the pace at which the model learns from each modality, which we refer to as the conditional learning speed. We propose an algorithm to balance the conditional learning speeds between modalities during training and demonstrate that it indeed addresses the issue of greedy learning. The proposed algorithm improves the model's generalization on three datasets: Colored MNIST, Princeton ModelNet40, and NVIDIA Dynamic Hand Gesture.

The growing energy and performance costs of deep learning have driven the community to reduce the size of neural networks by selectively pruning components. Similarly to their biological counterparts, sparse networks generalize just as well, if not better than, the original dense networks. Sparsity can reduce the memory footprint of regular networks to fit mobile devices, as well as shorten training time for ever growing networks. In this paper, we survey prior work on sparsity in deep learning and provide an extensive tutorial of sparsification for both inference and training. We describe approaches to remove and add elements of neural networks, different training strategies to achieve model sparsity, and mechanisms to exploit sparsity in practice. Our work distills ideas from more than 300 research papers and provides guidance to practitioners who wish to utilize sparsity today, as well as to researchers whose goal is to push the frontier forward. We include the necessary background on mathematical methods in sparsification, describe phenomena such as early structure adaptation, the intricate relations between sparsity and the training process, and show techniques for achieving acceleration on real hardware. We also define a metric of pruned parameter efficiency that could serve as a baseline for comparison of different sparse networks. We close by speculating on how sparsity can improve future workloads and outline major open problems in the field.

Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to handle different types of hypergraphs and are typically not generic for various learning tasks. Indeed, models that can predict variable-sized heterogeneous hyperedges have not been available. Here we develop a new self-attention based graph neural network called Hyper-SAGNN applicable to homogeneous and heterogeneous hypergraphs with variable hyperedge sizes. We perform extensive evaluations on multiple datasets, including four benchmark network datasets and two single-cell Hi-C datasets in genomics. We demonstrate that Hyper-SAGNN significantly outperforms the state-of-the-art methods on traditional tasks while also achieving great performance on a new task called outsider identification. Hyper-SAGNN will be useful for graph representation learning to uncover complex higher-order interactions in different applications.