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Residual neural networks are state-of-the-art deep learning models. Their continuous-depth analog, neural ordinary differential equations (ODEs), are also widely used. Despite their success, the link between the discrete and continuous models still lacks a solid mathematical foundation. In this article, we take a step in this direction by establishing an implicit regularization of deep residual networks towards neural ODEs, for nonlinear networks trained with gradient flow. We prove that if the network is initialized as a discretization of a neural ODE, then such a discretization holds throughout training. Our results are valid for a finite training time, and also as the training time tends to infinity provided that the network satisfies a Polyak-Lojasiewicz condition. Importantly, this condition holds for a family of residual networks where the residuals are two-layer perceptrons with an overparameterization in width that is only linear, and implies the convergence of gradient flow to a global minimum. Numerical experiments illustrate our results.

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Spiking neural network is a kind of neuromorphic computing that is believed to improve the level of intelligence and provide advantages for quantum computing. In this work, we address this issue by designing an optical spiking neural network and find that it can be used to accelerate the speed of computation, especially on combinatorial optimization problems. Here the spiking neural network is constructed by the antisymmetrically coupled degenerate optical parametric oscillator pulses and dissipative pulses. A nonlinear transfer function is chosen to mitigate amplitude inhomogeneities and destabilize the resulting local minima according to the dynamical behavior of spiking neurons. It is numerically shown that the spiking neural network-coherent Ising machines have excellent performance on combinatorial optimization problems, which is expected to offer new applications for neural computing and optical computing.

In this article, an efficient numerical method for computing finite-horizon controllability Gramians in Cholesky-factored form is proposed. The method is applicable to general dense matrices of moderate size and produces a Cholesky factor of the Gramian without computing the full product. In contrast to other methods applicable to this task, the proposed method is a generalization of the scaling-and-squaring approach for approximating the matrix exponential. It exploits a similar doubling formula for the Gramian, and thereby keeps the required computational effort modest. Most importantly, a rigorous backward error analysis is provided, which guarantees that the approximation is accurate to the round-off error level in double precision. This accuracy is illustrated in practice on a large number of standard test examples. The method has been implemented in the Julia package FiniteHorizonGramians.jl, which is available online under the MIT license. Code for reproducing the experimental results is included in this package, as well as code for determining the optimal method parameters. The analysis can thus easily be adapted to a different finite-precision arithmetic.

Physics-informed neural networks have emerged as a coherent framework for building predictive models that combine statistical patterns with domain knowledge. The underlying notion is to enrich the optimization loss function with known relationships to constrain the space of possible solutions. Hydrodynamic simulations are a core constituent of modern cosmology, while the required computations are both expensive and time-consuming. At the same time, the comparatively fast simulation of dark matter requires fewer resources, which has led to the emergence of machine learning algorithms for baryon inpainting as an active area of research; here, recreating the scatter found in hydrodynamic simulations is an ongoing challenge. This paper presents the first application of physics-informed neural networks to baryon inpainting by combining advances in neural network architectures with physical constraints, injecting theory on baryon conversion efficiency into the model loss function. We also introduce a punitive prediction comparison based on the Kullback-Leibler divergence, which enforces scatter reproduction. By simultaneously extracting the complete set of baryonic properties for the Simba suite of cosmological simulations, our results demonstrate improved accuracy of baryonic predictions based on dark matter halo properties, successful recovery of the fundamental metallicity relation, and retrieve scatter that traces the target simulation's distribution.

Unraveling the emergence of collective learning in systems of coupled artificial neural networks is an endeavor with broader implications for physics, machine learning, neuroscience and society. Here we introduce a minimal model that condenses several recent decentralized algorithms by considering a competition between two terms: the local learning dynamics in the parameters of each neural network unit, and a diffusive coupling among units that tends to homogenize the parameters of the ensemble. We derive the coarse-grained behavior of our model via an effective theory for linear networks that we show is analogous to a deformed Ginzburg-Landau model with quenched disorder. This framework predicts (depth-dependent) disorder-order-disorder phase transitions in the parameters' solutions that reveal the onset of a collective learning phase, along with a depth-induced delay of the critical point and a robust shape of the microscopic learning path. We validate our theory in realistic ensembles of coupled nonlinear networks trained in the MNIST dataset under privacy constraints. Interestingly, experiments confirm that individual networks -- trained only with private data -- can fully generalize to unseen data classes when the collective learning phase emerges. Our work elucidates the physics of collective learning and contributes to the mechanistic interpretability of deep learning in decentralized settings.

Since its introduction in 2019, the whole end-to-end neural diarization (EEND) line of work has been addressing speaker diarization as a frame-wise multi-label classification problem with permutation-invariant training. Despite EEND showing great promise, a few recent works took a step back and studied the possible combination of (local) supervised EEND diarization with (global) unsupervised clustering. Yet, these hybrid contributions did not question the original multi-label formulation. We propose to switch from multi-label (where any two speakers can be active at the same time) to powerset multi-class classification (where dedicated classes are assigned to pairs of overlapping speakers). Through extensive experiments on 9 different benchmarks, we show that this formulation leads to significantly better performance (mostly on overlapping speech) and robustness to domain mismatch, while eliminating the detection threshold hyperparameter, critical for the multi-label formulation.

A major interest in longitudinal neuroimaging studies involves investigating voxel-level neuroplasticity due to treatment and other factors across visits. However, traditional voxel-wise methods are beset with several pitfalls, which can compromise the accuracy of these approaches. We propose a novel Bayesian tensor response regression approach for longitudinal imaging data, which pools information across spatially-distributed voxels to infer significant changes while adjusting for covariates. The proposed method, which is implemented using Markov chain Monte Carlo (MCMC) sampling, utilizes low-rank decomposition to reduce dimensionality and preserve spatial configurations of voxels when estimating coefficients. It also enables feature selection via joint credible regions which respect the shape of the posterior distributions for more accurate inference. In addition to group level inferences, the method is able to infer individual-level neuroplasticity, allowing for examination of personalized disease or recovery trajectories. The advantages of the proposed approach in terms of prediction and feature selection over voxel-wise regression are highlighted via extensive simulation studies. Subsequently, we apply the approach to a longitudinal Aphasia dataset consisting of task functional MRI images from a group of subjects who were administered either a control intervention or intention treatment at baseline and were followed up over subsequent visits. Our analysis revealed that while the control therapy showed long-term increases in brain activity, the intention treatment produced predominantly short-term changes, both of which were concentrated in distinct localized regions. In contrast, the voxel-wise regression failed to detect any significant neuroplasticity after multiplicity adjustments, which is biologically implausible and implies lack of power.

Most state-of-the-art machine learning techniques revolve around the optimisation of loss functions. Defining appropriate loss functions is therefore critical to successfully solving problems in this field. We present a survey of the most commonly used loss functions for a wide range of different applications, divided into classification, regression, ranking, sample generation and energy based modelling. Overall, we introduce 33 different loss functions and we organise them into an intuitive taxonomy. Each loss function is given a theoretical backing and we describe where it is best used. This survey aims to provide a reference of the most essential loss functions for both beginner and advanced machine learning practitioners.

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.

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