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We study the Conjugate Kernel associated to a multi-layer linear-width feed-forward neural network with random weights, biases and data. We show that the empirical spectral distribution of the Conjugate Kernel converges to a deterministic limit. More precisely we obtain a deterministic equivalent for its Stieltjes transform and its resolvent, with quantitative bounds involving both the dimension and the spectral parameter. The limiting equivalent objects are described by iterating free convolution of measures and classical matrix operations involving the parameters of the model.

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Limited availability of labeled data for machine learning on biomedical time-series hampers progress in the field. Self-supervised learning (SSL) is a promising approach to learning data representations without labels. However, current SSL methods require expensive computations for negative pairs and are designed for single modalities, limiting their versatility. To overcome these limitations, we introduce CroSSL (Cross-modal SSL). CroSSL introduces two novel concepts: masking intermediate embeddings from modality-specific encoders and aggregating them into a global embedding using a cross-modal aggregator. This enables the handling of missing modalities and end-to-end learning of cross-modal patterns without prior data preprocessing or time-consuming negative-pair sampling. We evaluate CroSSL on various multimodal time-series benchmarks, including both medical-grade and consumer biosignals. Our results demonstrate superior performance compared to previous SSL techniques and supervised benchmarks with minimal labeled data. We additionally analyze the impact of different masking ratios and strategies and assess the robustness of the learned representations to missing modalities. Overall, our work achieves state-of-the-art performance while highlighting the benefits of masking latent embeddings for cross-modal learning in temporal health data.

In recurrent neural networks, learning long-term dependency is the main difficulty due to the vanishing and exploding gradient problem. Many researchers are dedicated to solving this issue and they proposed many algorithms. Although these algorithms have achieved great success, understanding how the information decays remains an open problem. In this paper, we study the dynamics of the hidden state in recurrent neural networks. We propose a new perspective to analyze the hidden state space based on an eigen decomposition of the weight matrix. We start the analysis by linear state space model and explain the function of preserving information in activation functions. We provide an explanation for long-term dependency based on the eigen analysis. We also point out the different behavior of eigenvalues for regression tasks and classification tasks. From the observations on well-trained recurrent neural networks, we proposed a new initialization method for recurrent neural networks, which improves consistently performance. It can be applied to vanilla-RNN, LSTM, and GRU. We test on many datasets, such as Tomita Grammars, pixel-by-pixel MNIST datasets, and machine translation datasets (Multi30k). It outperforms the Xavier initializer and kaiming initializer as well as other RNN-only initializers like IRNN and sp-RNN in several tasks.

Future wireless networks and sensing systems will benefit from access to large chunks of spectrum above 100 GHz, to achieve terabit-per-second data rates in 6th Generation (6G) cellular systems and improve accuracy and reach of Earth exploration and sensing and radio astronomy applications. These are extremely sensitive to interference from artificial signals, thus the spectrum above 100 GHz features several bands which are protected from active transmissions under current spectrum regulations. To provide more agile access to the spectrum for both services, active and passive users will have to coexist without harming passive sensing operations. In this paper, we provide the first, fundamental analysis of Radio Frequency Interference (RFI) that large-scale terrestrial deployments introduce in different satellite sensing systems now orbiting the Earth. We develop a geometry-based analysis and extend it into a data-driven model which accounts for realistic propagation, building obstruction, ground reflection, for network topology with up to $10^5$ nodes in more than $85$ km$^2$. We show that the presence of harmful RFI depends on several factors, including network load, density and topology, satellite orientation, and building density. The results and methodology provide the foundation for the development of coexistence solutions and spectrum policy towards 6G.

Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, physics-informed inductive biases in deep-learning frameworks have been shown to give superior performance in learning the dynamics of physical systems. There is a growing volume of literature that attempts to combine these two approaches. Here, we evaluate the performance of thirteen different graph neural networks, namely, Hamiltonian and Lagrangian graph neural networks, graph neural ODE, and their variants with explicit constraints and different architectures. We briefly explain the theoretical formulation highlighting the similarities and differences in the inductive biases and graph architecture of these systems. We evaluate these models on spring, pendulum, gravitational, and 3D deformable solid systems to compare the performance in terms of rollout error, conserved quantities such as energy and momentum, and generalizability to unseen system sizes. Our study demonstrates that GNNs with additional inductive biases, such as explicit constraints and decoupling of kinetic and potential energies, exhibit significantly enhanced performance. Further, all the physics-informed GNNs exhibit zero-shot generalizability to system sizes an order of magnitude larger than the training system, thus providing a promising route to simulate large-scale realistic systems.

We consider the problem of discovering $K$ related Gaussian directed acyclic graphs (DAGs), where the involved graph structures share a consistent causal order and sparse unions of supports. Under the multi-task learning setting, we propose a $l_1/l_2$-regularized maximum likelihood estimator (MLE) for learning $K$ linear structural equation models. We theoretically show that the joint estimator, by leveraging data across related tasks, can achieve a better sample complexity for recovering the causal order (or topological order) than separate estimations. Moreover, the joint estimator is able to recover non-identifiable DAGs, by estimating them together with some identifiable DAGs. Lastly, our analysis also shows the consistency of union support recovery of the structures. To allow practical implementation, we design a continuous optimization problem whose optimizer is the same as the joint estimator and can be approximated efficiently by an iterative algorithm. We validate the theoretical analysis and the effectiveness of the joint estimator in experiments.

Due to their increasing spread, confidence in neural network predictions became more and more important. However, basic neural networks do not deliver certainty estimates or suffer from over or under confidence. Many researchers have been working on understanding and quantifying uncertainty in a neural network's prediction. As a result, different types and sources of uncertainty have been identified and a variety of approaches to measure and quantify uncertainty in neural networks have been proposed. This work gives a comprehensive overview of uncertainty estimation in neural networks, reviews recent advances in the field, highlights current challenges, and identifies potential research opportunities. It is intended to give anyone interested in uncertainty estimation in neural networks a broad overview and introduction, without presupposing prior knowledge in this field. A comprehensive introduction to the most crucial sources of uncertainty is given and their separation into reducible model uncertainty and not reducible data uncertainty is presented. The modeling of these uncertainties based on deterministic neural networks, Bayesian neural networks, ensemble of neural networks, and test-time data augmentation approaches is introduced and different branches of these fields as well as the latest developments are discussed. For a practical application, we discuss different measures of uncertainty, approaches for the calibration of neural networks and give an overview of existing baselines and implementations. Different examples from the wide spectrum of challenges in different fields give an idea of the needs and challenges regarding uncertainties in practical applications. Additionally, the practical limitations of current methods for mission- and safety-critical real world applications are discussed and an outlook on the next steps towards a broader usage of such methods is given.

Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of GNNs. Although most of GNNs basically follow a message passing manner, litter effort has been made to discover and analyze their essential relations. In this paper, we establish a surprising connection between different propagation mechanisms with a unified optimization problem, showing that despite the proliferation of various GNNs, in fact, their proposed propagation mechanisms are the optimal solution optimizing a feature fitting function over a wide class of graph kernels with a graph regularization term. Our proposed unified optimization framework, summarizing the commonalities between several of the most representative GNNs, not only provides a macroscopic view on surveying the relations between different GNNs, but also further opens up new opportunities for flexibly designing new GNNs. With the proposed framework, we discover that existing works usually utilize naive graph convolutional kernels for feature fitting function, and we further develop two novel objective functions considering adjustable graph kernels showing low-pass or high-pass filtering capabilities respectively. Moreover, we provide the convergence proofs and expressive power comparisons for the proposed models. Extensive experiments on benchmark datasets clearly show that the proposed GNNs not only outperform the state-of-the-art methods but also have good ability to alleviate over-smoothing, and further verify the feasibility for designing GNNs with our unified optimization framework.

Ensembles over neural network weights trained from different random initialization, known as deep ensembles, achieve state-of-the-art accuracy and calibration. The recently introduced batch ensembles provide a drop-in replacement that is more parameter efficient. In this paper, we design ensembles not only over weights, but over hyperparameters to improve the state of the art in both settings. For best performance independent of budget, we propose hyper-deep ensembles, a simple procedure that involves a random search over different hyperparameters, themselves stratified across multiple random initializations. Its strong performance highlights the benefit of combining models with both weight and hyperparameter diversity. We further propose a parameter efficient version, hyper-batch ensembles, which builds on the layer structure of batch ensembles and self-tuning networks. The computational and memory costs of our method are notably lower than typical ensembles. On image classification tasks, with MLP, LeNet, and Wide ResNet 28-10 architectures, our methodology improves upon both deep and batch ensembles.

Deep neural networks (DNNs) are successful in many computer vision tasks. However, the most accurate DNNs require millions of parameters and operations, making them energy, computation and memory intensive. This impedes the deployment of large DNNs in low-power devices with limited compute resources. Recent research improves DNN models by reducing the memory requirement, energy consumption, and number of operations without significantly decreasing the accuracy. This paper surveys the progress of low-power deep learning and computer vision, specifically in regards to inference, and discusses the methods for compacting and accelerating DNN models. The techniques can be divided into four major categories: (1) parameter quantization and pruning, (2) compressed convolutional filters and matrix factorization, (3) network architecture search, and (4) knowledge distillation. We analyze the accuracy, advantages, disadvantages, and potential solutions to the problems with the techniques in each category. We also discuss new evaluation metrics as a guideline for future research.

Graph Neural Networks (GNNs), which generalize deep neural networks to graph-structured data, have drawn considerable attention and achieved state-of-the-art performance in numerous graph related tasks. However, existing GNN models mainly focus on designing graph convolution operations. The graph pooling (or downsampling) operations, that play an important role in learning hierarchical representations, are usually overlooked. In this paper, we propose a novel graph pooling operator, called Hierarchical Graph Pooling with Structure Learning (HGP-SL), which can be integrated into various graph neural network architectures. HGP-SL incorporates graph pooling and structure learning into a unified module to generate hierarchical representations of graphs. More specifically, the graph pooling operation adaptively selects a subset of nodes to form an induced subgraph for the subsequent layers. To preserve the integrity of graph's topological information, we further introduce a structure learning mechanism to learn a refined graph structure for the pooled graph at each layer. By combining HGP-SL operator with graph neural networks, we perform graph level representation learning with focus on graph classification task. Experimental results on six widely used benchmarks demonstrate the effectiveness of our proposed model.

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