new

Get trending papers in your email inbox!

Subscribe

Daily Papers

byAK and the research community

Jul 31

DeepTriNet: A Tri-Level Attention Based DeepLabv3+ Architecture for Semantic Segmentation of Satellite Images

The segmentation of satellite images is crucial in remote sensing applications. Existing methods face challenges in recognizing small-scale objects in satellite images for semantic segmentation primarily due to ignoring the low-level characteristics of the underlying network and due to containing distinct amounts of information by different feature maps. Thus, in this research, a tri-level attention-based DeepLabv3+ architecture (DeepTriNet) is proposed for the semantic segmentation of satellite images. The proposed hybrid method combines squeeze-and-excitation networks (SENets) and tri-level attention units (TAUs) with the vanilla DeepLabv3+ architecture, where the TAUs are used to bridge the semantic feature gap among encoders output and the SENets used to put more weight on relevant features. The proposed DeepTriNet finds which features are the more relevant and more generalized way by its self-supervision rather we annotate them. The study showed that the proposed DeepTriNet performs better than many conventional techniques with an accuracy of 98% and 77%, IoU 80% and 58%, precision 88% and 68%, and recall of 79% and 55% on the 4-class Land-Cover.ai dataset and the 15-class GID-2 dataset respectively. The proposed method will greatly contribute to natural resource management and change detection in rural and urban regions through efficient and semantic satellite image segmentation

Two-stream Spatiotemporal Feature for Video QA Task

Understanding the content of videos is one of the core techniques for developing various helpful applications in the real world, such as recognizing various human actions for surveillance systems or customer behavior analysis in an autonomous shop. However, understanding the content or story of the video still remains a challenging problem due to its sheer amount of data and temporal structure. In this paper, we propose a multi-channel neural network structure that adopts a two-stream network structure, which has been shown high performance in human action recognition field, and use it as a spatiotemporal video feature extractor for solving video question and answering task. We also adopt a squeeze-and-excitation structure to two-stream network structure for achieving a channel-wise attended spatiotemporal feature. For jointly modeling the spatiotemporal features from video and the textual features from the question, we design a context matching module with a level adjusting layer to remove the gap of information between visual and textual features by applying attention mechanism on joint modeling. Finally, we adopt a scoring mechanism and smoothed ranking loss objective function for selecting the correct answer from answer candidates. We evaluate our model with TVQA dataset, and our approach shows the improved result in textual only setting, but the result with visual feature shows the limitation and possibility of our approach.

Recalibrating Fully Convolutional Networks with Spatial and Channel 'Squeeze & Excitation' Blocks

In a wide range of semantic segmentation tasks, fully convolutional neural networks (F-CNNs) have been successfully leveraged to achieve state-of-the-art performance. Architectural innovations of F-CNNs have mainly been on improving spatial encoding or network connectivity to aid gradient flow. In this article, we aim towards an alternate direction of recalibrating the learned feature maps adaptively; boosting meaningful features while suppressing weak ones. The recalibration is achieved by simple computational blocks that can be easily integrated in F-CNNs architectures. We draw our inspiration from the recently proposed 'squeeze & excitation' (SE) modules for channel recalibration for image classification. Towards this end, we introduce three variants of SE modules for segmentation, (i) squeezing spatially and exciting channel-wise, (ii) squeezing channel-wise and exciting spatially and (iii) joint spatial and channel 'squeeze & excitation'. We effectively incorporate the proposed SE blocks in three state-of-the-art F-CNNs and demonstrate a consistent improvement of segmentation accuracy on three challenging benchmark datasets. Importantly, SE blocks only lead to a minimal increase in model complexity of about 1.5%, while the Dice score increases by 4-9% in the case of U-Net. Hence, we believe that SE blocks can be an integral part of future F-CNN architectures.

Adaptive Estimators Show Information Compression in Deep Neural Networks

To improve how neural networks function it is crucial to understand their learning process. The information bottleneck theory of deep learning proposes that neural networks achieve good generalization by compressing their representations to disregard information that is not relevant to the task. However, empirical evidence for this theory is conflicting, as compression was only observed when networks used saturating activation functions. In contrast, networks with non-saturating activation functions achieved comparable levels of task performance but did not show compression. In this paper we developed more robust mutual information estimation techniques, that adapt to hidden activity of neural networks and produce more sensitive measurements of activations from all functions, especially unbounded functions. Using these adaptive estimation techniques, we explored compression in networks with a range of different activation functions. With two improved methods of estimation, firstly, we show that saturation of the activation function is not required for compression, and the amount of compression varies between different activation functions. We also find that there is a large amount of variation in compression between different network initializations. Secondary, we see that L2 regularization leads to significantly increased compression, while preventing overfitting. Finally, we show that only compression of the last layer is positively correlated with generalization.

Forecasting Thermoacoustic Instabilities in Liquid Propellant Rocket Engines Using Multimodal Bayesian Deep Learning

The 100 MW cryogenic liquid oxygen/hydrogen multi-injector combustor BKD operated by the DLR Institute of Space Propulsion is a research platform that allows the study of thermoacoustic instabilities under realistic conditions, representative of small upper stage rocket engines. We use data from BKD experimental campaigns in which the static chamber pressure and fuel-oxidizer ratio are varied such that the first tangential mode of the combustor is excited under some conditions. We train an autoregressive Bayesian neural network model to forecast the amplitude of the dynamic pressure time series, inputting multiple sensor measurements (injector pressure/ temperature measurements, static chamber pressure, high-frequency dynamic pressure measurements, high-frequency OH* chemiluminescence measurements) and future flow rate control signals. The Bayesian nature of our algorithms allows us to work with a dataset whose size is restricted by the expense of each experimental run, without making overconfident extrapolations. We find that the networks are able to accurately forecast the evolution of the pressure amplitude and anticipate instability events on unseen experimental runs 500 milliseconds in advance. We compare the predictive accuracy of multiple models using different combinations of sensor inputs. We find that the high-frequency dynamic pressure signal is particularly informative. We also use the technique of integrated gradients to interpret the influence of different sensor inputs on the model prediction. The negative log-likelihood of data points in the test dataset indicates that predictive uncertainties are well-characterized by our Bayesian model and simulating a sensor failure event results as expected in a dramatic increase in the epistemic component of the uncertainty.

How connectivity structure shapes rich and lazy learning in neural circuits

In theoretical neuroscience, recent work leverages deep learning tools to explore how some network attributes critically influence its learning dynamics. Notably, initial weight distributions with small (resp. large) variance may yield a rich (resp. lazy) regime, where significant (resp. minor) changes to network states and representation are observed over the course of learning. However, in biology, neural circuit connectivity could exhibit a low-rank structure and therefore differs markedly from the random initializations generally used for these studies. As such, here we investigate how the structure of the initial weights -- in particular their effective rank -- influences the network learning regime. Through both empirical and theoretical analyses, we discover that high-rank initializations typically yield smaller network changes indicative of lazier learning, a finding we also confirm with experimentally-driven initial connectivity in recurrent neural networks. Conversely, low-rank initialization biases learning towards richer learning. Importantly, however, as an exception to this rule, we find lazier learning can still occur with a low-rank initialization that aligns with task and data statistics. Our research highlights the pivotal role of initial weight structures in shaping learning regimes, with implications for metabolic costs of plasticity and risks of catastrophic forgetting.

The Principles of Deep Learning Theory

This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.

PROSE: Predicting Operators and Symbolic Expressions using Multimodal Transformers

Approximating nonlinear differential equations using a neural network provides a robust and efficient tool for various scientific computing tasks, including real-time predictions, inverse problems, optimal controls, and surrogate modeling. Previous works have focused on embedding dynamical systems into networks through two approaches: learning a single solution operator (i.e., the mapping from input parametrized functions to solutions) or learning the governing system of equations (i.e., the constitutive model relative to the state variables). Both of these approaches yield different representations for the same underlying data or function. Additionally, observing that families of differential equations often share key characteristics, we seek one network representation across a wide range of equations. Our method, called Predicting Operators and Symbolic Expressions (PROSE), learns maps from multimodal inputs to multimodal outputs, capable of generating both numerical predictions and mathematical equations. By using a transformer structure and a feature fusion approach, our network can simultaneously embed sets of solution operators for various parametric differential equations using a single trained network. Detailed experiments demonstrate that the network benefits from its multimodal nature, resulting in improved prediction accuracy and better generalization. The network is shown to be able to handle noise in the data and errors in the symbolic representation, including noisy numerical values, model misspecification, and erroneous addition or deletion of terms. PROSE provides a new neural network framework for differential equations which allows for more flexibility and generality in learning operators and governing equations from data.

ConvNets for Counting: Object Detection of Transient Phenomena in Steelpan Drums

We train an object detector built from convolutional neural networks to count interference fringes in elliptical antinode regions in frames of high-speed video recordings of transient oscillations in Caribbean steelpan drums illuminated by electronic speckle pattern interferometry (ESPI). The annotations provided by our model aim to contribute to the understanding of time-dependent behavior in such drums by tracking the development of sympathetic vibration modes. The system is trained on a dataset of crowdsourced human-annotated images obtained from the Zooniverse Steelpan Vibrations Project. Due to the small number of human-annotated images and the ambiguity of the annotation task, we also evaluate the model on a large corpus of synthetic images whose properties have been matched to the real images by style transfer using a Generative Adversarial Network. Applying the model to thousands of unlabeled video frames, we measure oscillations consistent with audio recordings of these drum strikes. One unanticipated result is that sympathetic oscillations of higher-octave notes significantly precede the rise in sound intensity of the corresponding second harmonic tones; the mechanism responsible for this remains unidentified. This paper primarily concerns the development of the predictive model; further exploration of the steelpan images and deeper physical insights await its further application.

The Lottery Ticket Hypothesis: Finding Sparse, Trainable Neural Networks

Neural network pruning techniques can reduce the parameter counts of trained networks by over 90%, decreasing storage requirements and improving computational performance of inference without compromising accuracy. However, contemporary experience is that the sparse architectures produced by pruning are difficult to train from the start, which would similarly improve training performance. We find that a standard pruning technique naturally uncovers subnetworks whose initializations made them capable of training effectively. Based on these results, we articulate the "lottery ticket hypothesis:" dense, randomly-initialized, feed-forward networks contain subnetworks ("winning tickets") that - when trained in isolation - reach test accuracy comparable to the original network in a similar number of iterations. The winning tickets we find have won the initialization lottery: their connections have initial weights that make training particularly effective. We present an algorithm to identify winning tickets and a series of experiments that support the lottery ticket hypothesis and the importance of these fortuitous initializations. We consistently find winning tickets that are less than 10-20% of the size of several fully-connected and convolutional feed-forward architectures for MNIST and CIFAR10. Above this size, the winning tickets that we find learn faster than the original network and reach higher test accuracy.

The Local Interaction Basis: Identifying Computationally-Relevant and Sparsely Interacting Features in Neural Networks

Mechanistic interpretability aims to understand the behavior of neural networks by reverse-engineering their internal computations. However, current methods struggle to find clear interpretations of neural network activations because a decomposition of activations into computational features is missing. Individual neurons or model components do not cleanly correspond to distinct features or functions. We present a novel interpretability method that aims to overcome this limitation by transforming the activations of the network into a new basis - the Local Interaction Basis (LIB). LIB aims to identify computational features by removing irrelevant activations and interactions. Our method drops irrelevant activation directions and aligns the basis with the singular vectors of the Jacobian matrix between adjacent layers. It also scales features based on their importance for downstream computation, producing an interaction graph that shows all computationally-relevant features and interactions in a model. We evaluate the effectiveness of LIB on modular addition and CIFAR-10 models, finding that it identifies more computationally-relevant features that interact more sparsely, compared to principal component analysis. However, LIB does not yield substantial improvements in interpretability or interaction sparsity when applied to language models. We conclude that LIB is a promising theory-driven approach for analyzing neural networks, but in its current form is not applicable to large language models.

Lottery Jackpots Exist in Pre-trained Models

Network pruning is an effective approach to reduce network complexity with acceptable performance compromise. Existing studies achieve the sparsity of neural networks via time-consuming weight training or complex searching on networks with expanded width, which greatly limits the applications of network pruning. In this paper, we show that high-performing and sparse sub-networks without the involvement of weight training, termed "lottery jackpots", exist in pre-trained models with unexpanded width. Furthermore, we improve the efficiency for searching lottery jackpots from two perspectives. Firstly, we observe that the sparse masks derived from many existing pruning criteria have a high overlap with the searched mask of our lottery jackpot, among which, the magnitude-based pruning results in the most similar mask with ours. Consequently, our searched lottery jackpot removes 90% weights in ResNet-50, while it easily obtains more than 70% top-1 accuracy using only 5 searching epochs on ImageNet. In compliance with this insight, we initialize our sparse mask using the magnitude-based pruning, resulting in at least 3x cost reduction on the lottery jackpot searching while achieving comparable or even better performance. Secondly, we conduct an in-depth analysis of the searching process for lottery jackpots. Our theoretical result suggests that the decrease in training loss during weight searching can be disturbed by the dependency between weights in modern networks. To mitigate this, we propose a novel short restriction method to restrict change of masks that may have potential negative impacts on the training loss. Our code is available at https://github.com/zyxxmu/lottery-jackpots.

Dense Hebbian neural networks: a replica symmetric picture of supervised learning

We consider dense, associative neural-networks trained by a teacher (i.e., with supervision) and we investigate their computational capabilities analytically, via statistical-mechanics of spin glasses, and numerically, via Monte Carlo simulations. In particular, we obtain a phase diagram summarizing their performance as a function of the control parameters such as quality and quantity of the training dataset, network storage and noise, that is valid in the limit of large network size and structureless datasets: these networks may work in a ultra-storage regime (where they can handle a huge amount of patterns, if compared with shallow neural networks) or in a ultra-detection regime (where they can perform pattern recognition at prohibitive signal-to-noise ratios, if compared with shallow neural networks). Guided by the random theory as a reference framework, we also test numerically learning, storing and retrieval capabilities shown by these networks on structured datasets as MNist and Fashion MNist. As technical remarks, from the analytic side, we implement large deviations and stability analysis within Guerra's interpolation to tackle the not-Gaussian distributions involved in the post-synaptic potentials while, from the computational counterpart, we insert Plefka approximation in the Monte Carlo scheme, to speed up the evaluation of the synaptic tensors, overall obtaining a novel and broad approach to investigate supervised learning in neural networks, beyond the shallow limit, in general.

Training Bayesian Neural Networks with Sparse Subspace Variational Inference

Bayesian neural networks (BNNs) offer uncertainty quantification but come with the downside of substantially increased training and inference costs. Sparse BNNs have been investigated for efficient inference, typically by either slowly introducing sparsity throughout the training or by post-training compression of dense BNNs. The dilemma of how to cut down massive training costs remains, particularly given the requirement to learn about the uncertainty. To solve this challenge, we introduce Sparse Subspace Variational Inference (SSVI), the first fully sparse BNN framework that maintains a consistently highly sparse Bayesian model throughout the training and inference phases. Starting from a randomly initialized low-dimensional sparse subspace, our approach alternately optimizes the sparse subspace basis selection and its associated parameters. While basis selection is characterized as a non-differentiable problem, we approximate the optimal solution with a removal-and-addition strategy, guided by novel criteria based on weight distribution statistics. Our extensive experiments show that SSVI sets new benchmarks in crafting sparse BNNs, achieving, for instance, a 10-20x compression in model size with under 3\% performance drop, and up to 20x FLOPs reduction during training compared with dense VI training. Remarkably, SSVI also demonstrates enhanced robustness to hyperparameters, reducing the need for intricate tuning in VI and occasionally even surpassing VI-trained dense BNNs on both accuracy and uncertainty metrics.

Random Search as a Baseline for Sparse Neural Network Architecture Search

Sparse neural networks have shown similar or better generalization performance than their dense counterparts while having higher parameter efficiency. This has motivated a number of works to learn or search for high performing sparse networks. While reports of task performance or efficiency gains are impressive, standard baselines are lacking leading to poor comparability and unreliable reproducibility across methods. In this work, we propose Random Search as a baseline algorithm for finding good sparse configurations and study its performance. We apply Random Search on the node space of an overparameterized network with the goal of finding better initialized sparse sub-networks that are positioned more advantageously in the loss landscape. We record the post-training performances of the found sparse networks and at various levels of sparsity, and compare against both their fully connected parent networks and random sparse configurations at the same sparsity levels. First, we demonstrate performance at different levels of sparsity and highlight that a significant level of performance can still be preserved even when the network is highly sparse. Second, we observe that for this sparse architecture search task, initialized sparse networks found by Random Search neither perform better nor converge more efficiently than their random counterparts. Thus we conclude that Random Search may be viewed as a reasonable neutral baseline for sparsity search methods.

Activation Space Selectable Kolmogorov-Arnold Networks

The multilayer perceptron (MLP), a fundamental paradigm in current artificial intelligence, is widely applied in fields such as computer vision and natural language processing. However, the recently proposed Kolmogorov-Arnold Network (KAN), based on nonlinear additive connections, has been proven to achieve performance comparable to MLPs with significantly fewer parameters. Despite this potential, the use of a single activation function space results in reduced performance of KAN and related works across different tasks. To address this issue, we propose an activation space Selectable KAN (S-KAN). S-KAN employs an adaptive strategy to choose the possible activation mode for data at each feedforward KAN node. Our approach outperforms baseline methods in seven representative function fitting tasks and significantly surpasses MLP methods with the same level of parameters. Furthermore, we extend the structure of S-KAN and propose an activation space selectable Convolutional KAN (S-ConvKAN), which achieves leading results on four general image classification datasets. Our method mitigates the performance variability of the original KAN across different tasks and demonstrates through extensive experiments that feedforward KANs with selectable activations can achieve or even exceed the performance of MLP-based methods. This work contributes to the understanding of the data-centric design of new AI paradigms and provides a foundational reference for innovations in KAN-based network architectures.

MgNO: Efficient Parameterization of Linear Operators via Multigrid

In this work, we propose a concise neural operator architecture for operator learning. Drawing an analogy with a conventional fully connected neural network, we define the neural operator as follows: the output of the i-th neuron in a nonlinear operator layer is defined by mathcal O_i(u) = sigmaleft( sum_j mathcal W_{ij} u + mathcal B_{ij}right). Here, mathcal W_{ij} denotes the bounded linear operator connecting j-th input neuron to i-th output neuron, and the bias mathcal B_{ij} takes the form of a function rather than a scalar. Given its new universal approximation property, the efficient parameterization of the bounded linear operators between two neurons (Banach spaces) plays a critical role. As a result, we introduce MgNO, utilizing multigrid structures to parameterize these linear operators between neurons. This approach offers both mathematical rigor and practical expressivity. Additionally, MgNO obviates the need for conventional lifting and projecting operators typically required in previous neural operators. Moreover, it seamlessly accommodates diverse boundary conditions. Our empirical observations reveal that MgNO exhibits superior ease of training compared to other CNN-based models, while also displaying a reduced susceptibility to overfitting when contrasted with spectral-type neural operators. We demonstrate the efficiency and accuracy of our method with consistently state-of-the-art performance on different types of partial differential equations (PDEs).

Efficiently Computing Local Lipschitz Constants of Neural Networks via Bound Propagation

Lipschitz constants are connected to many properties of neural networks, such as robustness, fairness, and generalization. Existing methods for computing Lipschitz constants either produce relatively loose upper bounds or are limited to small networks. In this paper, we develop an efficient framework for computing the ell_infty local Lipschitz constant of a neural network by tightly upper bounding the norm of Clarke Jacobian via linear bound propagation. We formulate the computation of local Lipschitz constants with a linear bound propagation process on a high-order backward graph induced by the chain rule of Clarke Jacobian. To enable linear bound propagation, we derive tight linear relaxations for specific nonlinearities in Clarke Jacobian. This formulate unifies existing ad-hoc approaches such as RecurJac, which can be seen as a special case of ours with weaker relaxations. The bound propagation framework also allows us to easily borrow the popular Branch-and-Bound (BaB) approach from neural network verification to further tighten Lipschitz constants. Experiments show that on tiny models, our method produces comparable bounds compared to exact methods that cannot scale to slightly larger models; on larger models, our method efficiently produces tighter results than existing relaxed or naive methods, and our method scales to much larger practical models that previous works could not handle. We also demonstrate an application on provable monotonicity analysis. Code is available at https://github.com/shizhouxing/Local-Lipschitz-Constants.

Magnitude Invariant Parametrizations Improve Hypernetwork Learning

Hypernetworks, neural networks that predict the parameters of another neural network, are powerful models that have been successfully used in diverse applications from image generation to multi-task learning. Unfortunately, existing hypernetworks are often challenging to train. Training typically converges far more slowly than for non-hypernetwork models, and the rate of convergence can be very sensitive to hyperparameter choices. In this work, we identify a fundamental and previously unidentified problem that contributes to the challenge of training hypernetworks: a magnitude proportionality between the inputs and outputs of the hypernetwork. We demonstrate both analytically and empirically that this can lead to unstable optimization, thereby slowing down convergence, and sometimes even preventing any learning. We present a simple solution to this problem using a revised hypernetwork formulation that we call Magnitude Invariant Parametrizations (MIP). We demonstrate the proposed solution on several hypernetwork tasks, where it consistently stabilizes training and achieves faster convergence. Furthermore, we perform a comprehensive ablation study including choices of activation function, normalization strategies, input dimensionality, and hypernetwork architecture; and find that MIP improves training in all scenarios. We provide easy-to-use code that can turn existing networks into MIP-based hypernetworks.

Lagrangian PINNs: A causality-conforming solution to failure modes of physics-informed neural networks

Physics-informed neural networks (PINNs) leverage neural-networks to find the solutions of partial differential equation (PDE)-constrained optimization problems with initial conditions and boundary conditions as soft constraints. These soft constraints are often considered to be the sources of the complexity in the training phase of PINNs. Here, we demonstrate that the challenge of training (i) persists even when the boundary conditions are strictly enforced, and (ii) is closely related to the Kolmogorov n-width associated with problems demonstrating transport, convection, traveling waves, or moving fronts. Given this realization, we describe the mechanism underlying the training schemes such as those used in eXtended PINNs (XPINN), curriculum regularization, and sequence-to-sequence learning. For an important category of PDEs, i.e., governed by non-linear convection-diffusion equation, we propose reformulating PINNs on a Lagrangian frame of reference, i.e., LPINNs, as a PDE-informed solution. A parallel architecture with two branches is proposed. One branch solves for the state variables on the characteristics, and the second branch solves for the low-dimensional characteristics curves. The proposed architecture conforms to the causality innate to the convection, and leverages the direction of travel of the information in the domain. Finally, we demonstrate that the loss landscapes of LPINNs are less sensitive to the so-called "complexity" of the problems, compared to those in the traditional PINNs in the Eulerian framework.

Fast Sparse ConvNets

Historically, the pursuit of efficient inference has been one of the driving forces behind research into new deep learning architectures and building blocks. Some recent examples include: the squeeze-and-excitation module, depthwise separable convolutions in Xception, and the inverted bottleneck in MobileNet v2. Notably, in all of these cases, the resulting building blocks enabled not only higher efficiency, but also higher accuracy, and found wide adoption in the field. In this work, we further expand the arsenal of efficient building blocks for neural network architectures; but instead of combining standard primitives (such as convolution), we advocate for the replacement of these dense primitives with their sparse counterparts. While the idea of using sparsity to decrease the parameter count is not new, the conventional wisdom is that this reduction in theoretical FLOPs does not translate into real-world efficiency gains. We aim to correct this misconception by introducing a family of efficient sparse kernels for ARM and WebAssembly, which we open-source for the benefit of the community as part of the XNNPACK library. Equipped with our efficient implementation of sparse primitives, we show that sparse versions of MobileNet v1, MobileNet v2 and EfficientNet architectures substantially outperform strong dense baselines on the efficiency-accuracy curve. On Snapdragon 835 our sparse networks outperform their dense equivalents by 1.3-2.4times -- equivalent to approximately one entire generation of MobileNet-family improvement. We hope that our findings will facilitate wider adoption of sparsity as a tool for creating efficient and accurate deep learning architectures.

Jointly-Learned Exit and Inference for a Dynamic Neural Network : JEI-DNN

Large pretrained models, coupled with fine-tuning, are slowly becoming established as the dominant architecture in machine learning. Even though these models offer impressive performance, their practical application is often limited by the prohibitive amount of resources required for every inference. Early-exiting dynamic neural networks (EDNN) circumvent this issue by allowing a model to make some of its predictions from intermediate layers (i.e., early-exit). Training an EDNN architecture is challenging as it consists of two intertwined components: the gating mechanism (GM) that controls early-exiting decisions and the intermediate inference modules (IMs) that perform inference from intermediate representations. As a result, most existing approaches rely on thresholding confidence metrics for the gating mechanism and strive to improve the underlying backbone network and the inference modules. Although successful, this approach has two fundamental shortcomings: 1) the GMs and the IMs are decoupled during training, leading to a train-test mismatch; and 2) the thresholding gating mechanism introduces a positive bias into the predictive probabilities, making it difficult to readily extract uncertainty information. We propose a novel architecture that connects these two modules. This leads to significant performance improvements on classification datasets and enables better uncertainty characterization capabilities.

Neural Network Approximations of PDEs Beyond Linearity: A Representational Perspective

A burgeoning line of research leverages deep neural networks to approximate the solutions to high dimensional PDEs, opening lines of theoretical inquiry focused on explaining how it is that these models appear to evade the curse of dimensionality. However, most prior theoretical analyses have been limited to linear PDEs. In this work, we take a step towards studying the representational power of neural networks for approximating solutions to nonlinear PDEs. We focus on a class of PDEs known as nonlinear elliptic variational PDEs, whose solutions minimize an Euler-Lagrange energy functional E(u) = int_Omega L(x, u(x), nabla u(x)) - f(x) u(x)dx. We show that if composing a function with Barron norm b with partial derivatives of L produces a function of Barron norm at most B_L b^p, the solution to the PDE can be epsilon-approximated in the L^2 sense by a function with Barron norm Oleft(left(dB_Lright)^{max{p log(1/ epsilon), p^{log(1/epsilon)}}}right). By a classical result due to Barron [1993], this correspondingly bounds the size of a 2-layer neural network needed to approximate the solution. Treating p, epsilon, B_L as constants, this quantity is polynomial in dimension, thus showing neural networks can evade the curse of dimensionality. Our proof technique involves neurally simulating (preconditioned) gradient in an appropriate Hilbert space, which converges exponentially fast to the solution of the PDE, and such that we can bound the increase of the Barron norm at each iterate. Our results subsume and substantially generalize analogous prior results for linear elliptic PDEs over a unit hypercube.

Zyxin is all you need: machine learning adherent cell mechanics

Cellular form and function emerge from complex mechanochemical systems within the cytoplasm. No systematic strategy currently exists to infer large-scale physical properties of a cell from its many molecular components. This is a significant obstacle to understanding biophysical processes such as cell adhesion and migration. Here, we develop a data-driven biophysical modeling approach to learn the mechanical behavior of adherent cells. We first train neural networks to predict forces generated by adherent cells from images of cytoskeletal proteins. Strikingly, experimental images of a single focal adhesion protein, such as zyxin, are sufficient to predict forces and generalize to unseen biological regimes. This protein field alone contains enough information to yield accurate predictions even if forces themselves are generated by many interacting proteins. We next develop two approaches - one explicitly constrained by physics, the other more agnostic - that help construct data-driven continuum models of cellular forces using this single focal adhesion field. Both strategies consistently reveal that cellular forces are encoded by two different length scales in adhesion protein distributions. Beyond adherent cell mechanics, our work serves as a case study for how to integrate neural networks in the construction of predictive phenomenological models in cell biology, even when little knowledge of the underlying microscopic mechanisms exist.

Uncertainty quantification in a mechanical submodel driven by a Wasserstein-GAN

The analysis of parametric and non-parametric uncertainties of very large dynamical systems requires the construction of a stochastic model of said system. Linear approaches relying on random matrix theory and principal componant analysis can be used when systems undergo low-frequency vibrations. In the case of fast dynamics and wave propagation, we investigate a random generator of boundary conditions for fast submodels by using machine learning. We show that the use of non-linear techniques in machine learning and data-driven methods is highly relevant. Physics-informed neural networks is a possible choice for a data-driven method to replace linear modal analysis. An architecture that support a random component is necessary for the construction of the stochastic model of the physical system for non-parametric uncertainties, since the goal is to learn the underlying probabilistic distribution of uncertainty in the data. Generative Adversarial Networks (GANs) are suited for such applications, where the Wasserstein-GAN with gradient penalty variant offers improved convergence results for our problem. The objective of our approach is to train a GAN on data from a finite element method code (Fenics) so as to extract stochastic boundary conditions for faster finite element predictions on a submodel. The submodel and the training data have both the same geometrical support. It is a zone of interest for uncertainty quantification and relevant to engineering purposes. In the exploitation phase, the framework can be viewed as a randomized and parametrized simulation generator on the submodel, which can be used as a Monte Carlo estimator.

Outliers with Opposing Signals Have an Outsized Effect on Neural Network Optimization

We identify a new phenomenon in neural network optimization which arises from the interaction of depth and a particular heavy-tailed structure in natural data. Our result offers intuitive explanations for several previously reported observations about network training dynamics. In particular, it implies a conceptually new cause for progressive sharpening and the edge of stability; we also highlight connections to other concepts in optimization and generalization including grokking, simplicity bias, and Sharpness-Aware Minimization. Experimentally, we demonstrate the significant influence of paired groups of outliers in the training data with strong opposing signals: consistent, large magnitude features which dominate the network output throughout training and provide gradients which point in opposite directions. Due to these outliers, early optimization enters a narrow valley which carefully balances the opposing groups; subsequent sharpening causes their loss to rise rapidly, oscillating between high on one group and then the other, until the overall loss spikes. We describe how to identify these groups, explore what sets them apart, and carefully study their effect on the network's optimization and behavior. We complement these experiments with a mechanistic explanation on a toy example of opposing signals and a theoretical analysis of a two-layer linear network on a simple model. Our finding enables new qualitative predictions of training behavior which we confirm experimentally. It also provides a new lens through which to study and improve modern training practices for stochastic optimization, which we highlight via a case study of Adam versus SGD.

Benign Oscillation of Stochastic Gradient Descent with Large Learning Rates

In this work, we theoretically investigate the generalization properties of neural networks (NN) trained by stochastic gradient descent (SGD) algorithm with large learning rates. Under such a training regime, our finding is that, the oscillation of the NN weights caused by the large learning rate SGD training turns out to be beneficial to the generalization of the NN, which potentially improves over the same NN trained by SGD with small learning rates that converges more smoothly. In view of this finding, we call such a phenomenon "benign oscillation". Our theory towards demystifying such a phenomenon builds upon the feature learning perspective of deep learning. Specifically, we consider a feature-noise data generation model that consists of (i) weak features which have a small ell_2-norm and appear in each data point; (ii) strong features which have a larger ell_2-norm but only appear in a certain fraction of all data points; and (iii) noise. We prove that NNs trained by oscillating SGD with a large learning rate can effectively learn the weak features in the presence of those strong features. In contrast, NNs trained by SGD with a small learning rate can only learn the strong features but makes little progress in learning the weak features. Consequently, when it comes to the new testing data which consist of only weak features, the NN trained by oscillating SGD with a large learning rate could still make correct predictions consistently, while the NN trained by small learning rate SGD fails. Our theory sheds light on how large learning rate training benefits the generalization of NNs. Experimental results demonstrate our finding on "benign oscillation".

The Unreasonable Effectiveness of Random Pruning: Return of the Most Naive Baseline for Sparse Training

Random pruning is arguably the most naive way to attain sparsity in neural networks, but has been deemed uncompetitive by either post-training pruning or sparse training. In this paper, we focus on sparse training and highlight a perhaps counter-intuitive finding, that random pruning at initialization can be quite powerful for the sparse training of modern neural networks. Without any delicate pruning criteria or carefully pursued sparsity structures, we empirically demonstrate that sparsely training a randomly pruned network from scratch can match the performance of its dense equivalent. There are two key factors that contribute to this revival: (i) the network sizes matter: as the original dense networks grow wider and deeper, the performance of training a randomly pruned sparse network will quickly grow to matching that of its dense equivalent, even at high sparsity ratios; (ii) appropriate layer-wise sparsity ratios can be pre-chosen for sparse training, which shows to be another important performance booster. Simple as it looks, a randomly pruned subnetwork of Wide ResNet-50 can be sparsely trained to outperforming a dense Wide ResNet-50, on ImageNet. We also observed such randomly pruned networks outperform dense counterparts in other favorable aspects, such as out-of-distribution detection, uncertainty estimation, and adversarial robustness. Overall, our results strongly suggest there is larger-than-expected room for sparse training at scale, and the benefits of sparsity might be more universal beyond carefully designed pruning. Our source code can be found at https://github.com/VITA-Group/Random_Pruning.

A Periodic Bayesian Flow for Material Generation

Generative modeling of crystal data distribution is an important yet challenging task due to the unique periodic physical symmetry of crystals. Diffusion-based methods have shown early promise in modeling crystal distribution. More recently, Bayesian Flow Networks were introduced to aggregate noisy latent variables, resulting in a variance-reduced parameter space that has been shown to be advantageous for modeling Euclidean data distributions with structural constraints (Song et al., 2023). Inspired by this, we seek to unlock its potential for modeling variables located in non-Euclidean manifolds e.g. those within crystal structures, by overcoming challenging theoretical issues. We introduce CrysBFN, a novel crystal generation method by proposing a periodic Bayesian flow, which essentially differs from the original Gaussian-based BFN by exhibiting non-monotonic entropy dynamics. To successfully realize the concept of periodic Bayesian flow, CrysBFN integrates a new entropy conditioning mechanism and empirically demonstrates its significance compared to time-conditioning. Extensive experiments over both crystal ab initio generation and crystal structure prediction tasks demonstrate the superiority of CrysBFN, which consistently achieves new state-of-the-art on all benchmarks. Surprisingly, we found that CrysBFN enjoys a significant improvement in sampling efficiency, e.g., ~100x speedup 10 v.s. 2000 steps network forwards) compared with previous diffusion-based methods on MP-20 dataset. Code is available at https://github.com/wu-han-lin/CrysBFN.

How Powerful are Shallow Neural Networks with Bandlimited Random Weights?

We investigate the expressive power of depth-2 bandlimited random neural networks. A random net is a neural network where the hidden layer parameters are frozen with random assignment, and only the output layer parameters are trained by loss minimization. Using random weights for a hidden layer is an effective method to avoid non-convex optimization in standard gradient descent learning. It has also been adopted in recent deep learning theories. Despite the well-known fact that a neural network is a universal approximator, in this study, we mathematically show that when hidden parameters are distributed in a bounded domain, the network may not achieve zero approximation error. In particular, we derive a new nontrivial approximation error lower bound. The proof utilizes the technique of ridgelet analysis, a harmonic analysis method designed for neural networks. This method is inspired by fundamental principles in classical signal processing, specifically the idea that signals with limited bandwidth may not always be able to perfectly recreate the original signal. We corroborate our theoretical results with various simulation studies, and generally, two main take-home messages are offered: (i) Not any distribution for selecting random weights is feasible to build a universal approximator; (ii) A suitable assignment of random weights exists but to some degree is associated with the complexity of the target function.

PIG: Physics-Informed Gaussians as Adaptive Parametric Mesh Representations

The approximation of Partial Differential Equations (PDEs) using neural networks has seen significant advancements through Physics-Informed Neural Networks (PINNs). Despite their straightforward optimization framework and flexibility in implementing various PDEs, PINNs often suffer from limited accuracy due to the spectral bias of Multi-Layer Perceptrons (MLPs), which struggle to effectively learn high-frequency and non-linear components. Recently, parametric mesh representations in combination with neural networks have been investigated as a promising approach to eliminate the inductive biases of neural networks. However, they usually require very high-resolution grids and a large number of collocation points to achieve high accuracy while avoiding overfitting issues. In addition, the fixed positions of the mesh parameters restrict their flexibility, making it challenging to accurately approximate complex PDEs. To overcome these limitations, we propose Physics-Informed Gaussians (PIGs), which combine feature embeddings using Gaussian functions with a lightweight neural network. Our approach uses trainable parameters for the mean and variance of each Gaussian, allowing for dynamic adjustment of their positions and shapes during training. This adaptability enables our model to optimally approximate PDE solutions, unlike models with fixed parameter positions. Furthermore, the proposed approach maintains the same optimization framework used in PINNs, allowing us to benefit from their excellent properties. Experimental results show the competitive performance of our model across various PDEs, demonstrating its potential as a robust tool for solving complex PDEs. Our project page is available at https://namgyukang.github.io/Physics-Informed-Gaussians/

Higher-order Graph Convolutional Network with Flower-Petals Laplacians on Simplicial Complexes

Despite the recent successes of vanilla Graph Neural Networks (GNNs) on many tasks, their foundation on pairwise interaction networks inherently limits their capacity to discern latent higher-order interactions in complex systems. To bridge this capability gap, we propose a novel approach exploiting the rich mathematical theory of simplicial complexes (SCs) - a robust tool for modeling higher-order interactions. Current SC-based GNNs are burdened by high complexity and rigidity, and quantifying higher-order interaction strengths remains challenging. Innovatively, we present a higher-order Flower-Petals (FP) model, incorporating FP Laplacians into SCs. Further, we introduce a Higher-order Graph Convolutional Network (HiGCN) grounded in FP Laplacians, capable of discerning intrinsic features across varying topological scales. By employing learnable graph filters, a parameter group within each FP Laplacian domain, we can identify diverse patterns where the filters' weights serve as a quantifiable measure of higher-order interaction strengths. The theoretical underpinnings of HiGCN's advanced expressiveness are rigorously demonstrated. Additionally, our empirical investigations reveal that the proposed model accomplishes state-of-the-art (SOTA) performance on a range of graph tasks and provides a scalable and flexible solution to explore higher-order interactions in graphs.

Small-scale proxies for large-scale Transformer training instabilities

Teams that have trained large Transformer-based models have reported training instabilities at large scale that did not appear when training with the same hyperparameters at smaller scales. Although the causes of such instabilities are of scientific interest, the amount of resources required to reproduce them has made investigation difficult. In this work, we seek ways to reproduce and study training stability and instability at smaller scales. First, we focus on two sources of training instability described in previous work: the growth of logits in attention layers (Dehghani et al., 2023) and divergence of the output logits from the log probabilities (Chowdhery et al., 2022). By measuring the relationship between learning rate and loss across scales, we show that these instabilities also appear in small models when training at high learning rates, and that mitigations previously employed at large scales are equally effective in this regime. This prompts us to investigate the extent to which other known optimizer and model interventions influence the sensitivity of the final loss to changes in the learning rate. To this end, we study methods such as warm-up, weight decay, and the muParam (Yang et al., 2022), and combine techniques to train small models that achieve similar losses across orders of magnitude of learning rate variation. Finally, to conclude our exploration we study two cases where instabilities can be predicted before they emerge by examining the scaling behavior of model activation and gradient norms.

AF-KAN: Activation Function-Based Kolmogorov-Arnold Networks for Efficient Representation Learning

Kolmogorov-Arnold Networks (KANs) have inspired numerous works exploring their applications across a wide range of scientific problems, with the potential to replace Multilayer Perceptrons (MLPs). While many KANs are designed using basis and polynomial functions, such as B-splines, ReLU-KAN utilizes a combination of ReLU functions to mimic the structure of B-splines and take advantage of ReLU's speed. However, ReLU-KAN is not built for multiple inputs, and its limitations stem from ReLU's handling of negative values, which can restrict feature extraction. To address these issues, we introduce Activation Function-Based Kolmogorov-Arnold Networks (AF-KAN), expanding ReLU-KAN with various activations and their function combinations. This novel KAN also incorporates parameter reduction methods, primarily attention mechanisms and data normalization, to enhance performance on image classification datasets. We explore different activation functions, function combinations, grid sizes, and spline orders to validate the effectiveness of AF-KAN and determine its optimal configuration. In the experiments, AF-KAN significantly outperforms MLP, ReLU-KAN, and other KANs with the same parameter count. It also remains competitive even when using fewer than 6 to 10 times the parameters while maintaining the same network structure. However, AF-KAN requires a longer training time and consumes more FLOPs. The repository for this work is available at https://github.com/hoangthangta/All-KAN.

What's in a Prior? Learned Proximal Networks for Inverse Problems

Proximal operators are ubiquitous in inverse problems, commonly appearing as part of algorithmic strategies to regularize problems that are otherwise ill-posed. Modern deep learning models have been brought to bear for these tasks too, as in the framework of plug-and-play or deep unrolling, where they loosely resemble proximal operators. Yet, something essential is lost in employing these purely data-driven approaches: there is no guarantee that a general deep network represents the proximal operator of any function, nor is there any characterization of the function for which the network might provide some approximate proximal. This not only makes guaranteeing convergence of iterative schemes challenging but, more fundamentally, complicates the analysis of what has been learned by these networks about their training data. Herein we provide a framework to develop learned proximal networks (LPN), prove that they provide exact proximal operators for a data-driven nonconvex regularizer, and show how a new training strategy, dubbed proximal matching, provably promotes the recovery of the log-prior of the true data distribution. Such LPN provide general, unsupervised, expressive proximal operators that can be used for general inverse problems with convergence guarantees. We illustrate our results in a series of cases of increasing complexity, demonstrating that these models not only result in state-of-the-art performance, but provide a window into the resulting priors learned from data.

Structure-Preserving Operator Learning

Learning complex dynamics driven by partial differential equations directly from data holds great promise for fast and accurate simulations of complex physical systems. In most cases, this problem can be formulated as an operator learning task, where one aims to learn the operator representing the physics of interest, which entails discretization of the continuous system. However, preserving key continuous properties at the discrete level, such as boundary conditions, and addressing physical systems with complex geometries is challenging for most existing approaches. We introduce a family of operator learning architectures, structure-preserving operator networks (SPONs), that allows to preserve key mathematical and physical properties of the continuous system by leveraging finite element (FE) discretizations of the input-output spaces. SPONs are encode-process-decode architectures that are end-to-end differentiable, where the encoder and decoder follows from the discretizations of the input-output spaces. SPONs can operate on complex geometries, enforce certain boundary conditions exactly, and offer theoretical guarantees. Our framework provides a flexible way of devising structure-preserving architectures tailored to specific applications, and offers an explicit trade-off between performance and efficiency, all thanks to the FE discretization of the input-output spaces. Additionally, we introduce a multigrid-inspired SPON architecture that yields improved performance at higher efficiency. Finally, we release a software to automate the design and training of SPON architectures.

Principled Approaches for Extending Neural Architectures to Function Spaces for Operator Learning

A wide range of scientific problems, such as those described by continuous-time dynamical systems and partial differential equations (PDEs), are naturally formulated on function spaces. While function spaces are typically infinite-dimensional, deep learning has predominantly advanced through applications in computer vision and natural language processing that focus on mappings between finite-dimensional spaces. Such fundamental disparities in the nature of the data have limited neural networks from achieving a comparable level of success in scientific applications as seen in other fields. Neural operators are a principled way to generalize neural networks to mappings between function spaces, offering a pathway to replicate deep learning's transformative impact on scientific problems. For instance, neural operators can learn solution operators for entire classes of PDEs, e.g., physical systems with different boundary conditions, coefficient functions, and geometries. A key factor in deep learning's success has been the careful engineering of neural architectures through extensive empirical testing. Translating these neural architectures into neural operators allows operator learning to enjoy these same empirical optimizations. However, prior neural operator architectures have often been introduced as standalone models, not directly derived as extensions of existing neural network architectures. In this paper, we identify and distill the key principles for constructing practical implementations of mappings between infinite-dimensional function spaces. Using these principles, we propose a recipe for converting several popular neural architectures into neural operators with minimal modifications. This paper aims to guide practitioners through this process and details the steps to make neural operators work in practice. Our code can be found at https://github.com/neuraloperator/NNs-to-NOs

When Layers Play the Lottery, all Tickets Win at Initialization

Pruning is a standard technique for reducing the computational cost of deep networks. Many advances in pruning leverage concepts from the Lottery Ticket Hypothesis (LTH). LTH reveals that inside a trained dense network exists sparse subnetworks (tickets) able to achieve similar accuracy (i.e., win the lottery - winning tickets). Pruning at initialization focuses on finding winning tickets without training a dense network. Studies on these concepts share the trend that subnetworks come from weight or filter pruning. In this work, we investigate LTH and pruning at initialization from the lens of layer pruning. First, we confirm the existence of winning tickets when the pruning process removes layers. Leveraged by this observation, we propose to discover these winning tickets at initialization, eliminating the requirement of heavy computational resources for training the initial (over-parameterized) dense network. Extensive experiments show that our winning tickets notably speed up the training phase and reduce up to 51% of carbon emission, an important step towards democratization and green Artificial Intelligence. Beyond computational benefits, our winning tickets exhibit robustness against adversarial and out-of-distribution examples. Finally, we show that our subnetworks easily win the lottery at initialization while tickets from filter removal (the standard structured LTH) hardly become winning tickets.

EquiNO: A Physics-Informed Neural Operator for Multiscale Simulations

Multiscale problems are ubiquitous in physics. Numerical simulations of such problems by solving partial differential equations (PDEs) at high resolution are computationally too expensive for many-query scenarios, e.g., uncertainty quantification, remeshing applications, topology optimization, and so forth. This limitation has motivated the application of data-driven surrogate models, where the microscale computations are substituted with a surrogate, usually acting as a black-box mapping between macroscale quantities. These models offer significant speedups but struggle with incorporating microscale physical constraints, such as the balance of linear momentum and constitutive models. In this contribution, we propose Equilibrium Neural Operator (EquiNO) as a complementary physics-informed PDE surrogate for predicting microscale physics and compare it with variational physics-informed neural and operator networks. Our framework, applicable to the so-called multiscale FE^{,2}, computations, introduces the FE-OL approach by integrating the finite element (FE) method with operator learning (OL). We apply the proposed FE-OL approach to quasi-static problems of solid mechanics. The results demonstrate that FE-OL can yield accurate solutions even when confronted with a restricted dataset during model development. Our results show that EquiNO achieves speedup factors exceeding 8000-fold compared to traditional methods and offers an optimal balance between data-driven and physics-based strategies.

A Deep Conjugate Direction Method for Iteratively Solving Linear Systems

We present a novel deep learning approach to approximate the solution of large, sparse, symmetric, positive-definite linear systems of equations. These systems arise from many problems in applied science, e.g., in numerical methods for partial differential equations. Algorithms for approximating the solution to these systems are often the bottleneck in problems that require their solution, particularly for modern applications that require many millions of unknowns. Indeed, numerical linear algebra techniques have been investigated for many decades to alleviate this computational burden. Recently, data-driven techniques have also shown promise for these problems. Motivated by the conjugate gradients algorithm that iteratively selects search directions for minimizing the matrix norm of the approximation error, we design an approach that utilizes a deep neural network to accelerate convergence via data-driven improvement of the search directions. Our method leverages a carefully chosen convolutional network to approximate the action of the inverse of the linear operator up to an arbitrary constant. We train the network using unsupervised learning with a loss function equal to the L^2 difference between an input and the system matrix times the network evaluation, where the unspecified constant in the approximate inverse is accounted for. We demonstrate the efficacy of our approach on spatially discretized Poisson equations with millions of degrees of freedom arising in computational fluid dynamics applications. Unlike state-of-the-art learning approaches, our algorithm is capable of reducing the linear system residual to a given tolerance in a small number of iterations, independent of the problem size. Moreover, our method generalizes effectively to various systems beyond those encountered during training.

Model Rubik's Cube: Twisting Resolution, Depth and Width for TinyNets

To obtain excellent deep neural architectures, a series of techniques are carefully designed in EfficientNets. The giant formula for simultaneously enlarging the resolution, depth and width provides us a Rubik's cube for neural networks. So that we can find networks with high efficiency and excellent performance by twisting the three dimensions. This paper aims to explore the twisting rules for obtaining deep neural networks with minimum model sizes and computational costs. Different from the network enlarging, we observe that resolution and depth are more important than width for tiny networks. Therefore, the original method, i.e., the compound scaling in EfficientNet is no longer suitable. To this end, we summarize a tiny formula for downsizing neural architectures through a series of smaller models derived from the EfficientNet-B0 with the FLOPs constraint. Experimental results on the ImageNet benchmark illustrate that our TinyNet performs much better than the smaller version of EfficientNets using the inversed giant formula. For instance, our TinyNet-E achieves a 59.9% Top-1 accuracy with only 24M FLOPs, which is about 1.9% higher than that of the previous best MobileNetV3 with similar computational cost. Code will be available at https://github.com/huawei-noah/ghostnet/tree/master/tinynet_pytorch, and https://gitee.com/mindspore/mindspore/tree/master/model_zoo/research/cv/tinynet.

Using Degeneracy in the Loss Landscape for Mechanistic Interpretability

Mechanistic Interpretability aims to reverse engineer the algorithms implemented by neural networks by studying their weights and activations. An obstacle to reverse engineering neural networks is that many of the parameters inside a network are not involved in the computation being implemented by the network. These degenerate parameters may obfuscate internal structure. Singular learning theory teaches us that neural network parameterizations are biased towards being more degenerate, and parameterizations with more degeneracy are likely to generalize further. We identify 3 ways that network parameters can be degenerate: linear dependence between activations in a layer; linear dependence between gradients passed back to a layer; ReLUs which fire on the same subset of datapoints. We also present a heuristic argument that modular networks are likely to be more degenerate, and we develop a metric for identifying modules in a network that is based on this argument. We propose that if we can represent a neural network in a way that is invariant to reparameterizations that exploit the degeneracies, then this representation is likely to be more interpretable, and we provide some evidence that such a representation is likely to have sparser interactions. We introduce the Interaction Basis, a tractable technique to obtain a representation that is invariant to degeneracies from linear dependence of activations or Jacobians.

Neural Circuit Architectural Priors for Embodied Control

Artificial neural networks for motor control usually adopt generic architectures like fully connected MLPs. While general, these tabula rasa architectures rely on large amounts of experience to learn, are not easily transferable to new bodies, and have internal dynamics that are difficult to interpret. In nature, animals are born with highly structured connectivity in their nervous systems shaped by evolution; this innate circuitry acts synergistically with learning mechanisms to provide inductive biases that enable most animals to function well soon after birth and learn efficiently. Convolutional networks inspired by visual circuitry have encoded useful biases for vision. However, it is unknown the extent to which ANN architectures inspired by neural circuitry can yield useful biases for other AI domains. In this work, we ask what advantages biologically inspired ANN architecture can provide in the domain of motor control. Specifically, we translate C. elegans locomotion circuits into an ANN model controlling a simulated Swimmer agent. On a locomotion task, our architecture achieves good initial performance and asymptotic performance comparable with MLPs, while dramatically improving data efficiency and requiring orders of magnitude fewer parameters. Our architecture is interpretable and transfers to new body designs. An ablation analysis shows that constrained excitation/inhibition is crucial for learning, while weight initialization contributes to good initial performance. Our work demonstrates several advantages of biologically inspired ANN architecture and encourages future work in more complex embodied control.

Stabilizing the Lottery Ticket Hypothesis

Pruning is a well-established technique for removing unnecessary structure from neural networks after training to improve the performance of inference. Several recent results have explored the possibility of pruning at initialization time to provide similar benefits during training. In particular, the "lottery ticket hypothesis" conjectures that typical neural networks contain small subnetworks that can train to similar accuracy in a commensurate number of steps. The evidence for this claim is that a procedure based on iterative magnitude pruning (IMP) reliably finds such subnetworks retroactively on small vision tasks. However, IMP fails on deeper networks, and proposed methods to prune before training or train pruned networks encounter similar scaling limitations. In this paper, we argue that these efforts have struggled on deeper networks because they have focused on pruning precisely at initialization. We modify IMP to search for subnetworks that could have been obtained by pruning early in training (0.1% to 7% through) rather than at iteration 0. With this change, it finds small subnetworks of deeper networks (e.g., 80% sparsity on Resnet-50) that can complete the training process to match the accuracy of the original network on more challenging tasks (e.g., ImageNet). In situations where IMP fails at iteration 0, the accuracy benefits of delaying pruning accrue rapidly over the earliest iterations of training. To explain these behaviors, we study subnetwork "stability," finding that - as accuracy improves in this fashion - IMP subnetworks train to parameters closer to those of the full network and do so with improved consistency in the face of gradient noise. These results offer new insights into the opportunity to prune large-scale networks early in training and the behaviors underlying the lottery ticket hypothesis

Wide and Deep Neural Networks Achieve Optimality for Classification

While neural networks are used for classification tasks across domains, a long-standing open problem in machine learning is determining whether neural networks trained using standard procedures are optimal for classification, i.e., whether such models minimize the probability of misclassification for arbitrary data distributions. In this work, we identify and construct an explicit set of neural network classifiers that achieve optimality. Since effective neural networks in practice are typically both wide and deep, we analyze infinitely wide networks that are also infinitely deep. In particular, using the recent connection between infinitely wide neural networks and Neural Tangent Kernels, we provide explicit activation functions that can be used to construct networks that achieve optimality. Interestingly, these activation functions are simple and easy to implement, yet differ from commonly used activations such as ReLU or sigmoid. More generally, we create a taxonomy of infinitely wide and deep networks and show that these models implement one of three well-known classifiers depending on the activation function used: (1) 1-nearest neighbor (model predictions are given by the label of the nearest training example); (2) majority vote (model predictions are given by the label of the class with greatest representation in the training set); or (3) singular kernel classifiers (a set of classifiers containing those that achieve optimality). Our results highlight the benefit of using deep networks for classification tasks, in contrast to regression tasks, where excessive depth is harmful.

From time-series to complex networks: Application to the cerebrovascular flow patterns in atrial fibrillation

A network-based approach is presented to investigate the cerebrovascular flow patterns during atrial fibrillation (AF) with respect to normal sinus rhythm (NSR). AF, the most common cardiac arrhythmia with faster and irregular beating, has been recently and independently associated with the increased risk of dementia. However, the underlying hemodynamic mechanisms relating the two pathologies remain mainly undetermined so far; thus the contribution of modeling and refined statistical tools is valuable. Pressure and flow rate temporal series in NSR and AF are here evaluated along representative cerebral sites (from carotid arteries to capillary brain circulation), exploiting reliable artificially built signals recently obtained from an in silico approach. The complex network analysis evidences, in a synthetic and original way, a dramatic signal variation towards the distal/capillary cerebral regions during AF, which has no counterpart in NSR conditions. At the large artery level, networks obtained from both AF and NSR hemodynamic signals exhibit elongated and chained features, which are typical of pseudo-periodic series. These aspects are almost completely lost towards the microcirculation during AF, where the networks are topologically more circular and present random-like characteristics. As a consequence, all the physiological phenomena at microcerebral level ruled by periodicity - such as regular perfusion, mean pressure per beat, and average nutrient supply at cellular level - can be strongly compromised, since the AF hemodynamic signals assume irregular behaviour and random-like features. Through a powerful approach which is complementary to the classical statistical tools, the present findings further strengthen the potential link between AF hemodynamic and cognitive decline.

Critical Learning Periods Emerge Even in Deep Linear Networks

Critical learning periods are periods early in development where temporary sensory deficits can have a permanent effect on behavior and learned representations. Despite the radical differences between biological and artificial networks, critical learning periods have been empirically observed in both systems. This suggests that critical periods may be fundamental to learning and not an accident of biology. Yet, why exactly critical periods emerge in deep networks is still an open question, and in particular it is unclear whether the critical periods observed in both systems depend on particular architectural or optimization details. To isolate the key underlying factors, we focus on deep linear network models, and show that, surprisingly, such networks also display much of the behavior seen in biology and artificial networks, while being amenable to analytical treatment. We show that critical periods depend on the depth of the model and structure of the data distribution. We also show analytically and in simulations that the learning of features is tied to competition between sources. Finally, we extend our analysis to multi-task learning to show that pre-training on certain tasks can damage the transfer performance on new tasks, and show how this depends on the relationship between tasks and the duration of the pre-training stage. To the best of our knowledge, our work provides the first analytically tractable model that sheds light into why critical learning periods emerge in biological and artificial networks.

Parallel Learning by Multitasking Neural Networks

A modern challenge of Artificial Intelligence is learning multiple patterns at once (i.e.parallel learning). While this can not be accomplished by standard Hebbian associative neural networks, in this paper we show how the Multitasking Hebbian Network (a variation on theme of the Hopfield model working on sparse data-sets) is naturally able to perform this complex task. We focus on systems processing in parallel a finite (up to logarithmic growth in the size of the network) amount of patterns, mirroring the low-storage level of standard associative neural networks at work with pattern recognition. For mild dilution in the patterns, the network handles them hierarchically, distributing the amplitudes of their signals as power-laws w.r.t. their information content (hierarchical regime), while, for strong dilution, all the signals pertaining to all the patterns are raised with the same strength (parallel regime). Further, confined to the low-storage setting (i.e., far from the spin glass limit), the presence of a teacher neither alters the multitasking performances nor changes the thresholds for learning: the latter are the same whatever the training protocol is supervised or unsupervised. Results obtained through statistical mechanics, signal-to-noise technique and Monte Carlo simulations are overall in perfect agreement and carry interesting insights on multiple learning at once: for instance, whenever the cost-function of the model is minimized in parallel on several patterns (in its description via Statistical Mechanics), the same happens to the standard sum-squared error Loss function (typically used in Machine Learning).

The Price of Freedom: Exploring Expressivity and Runtime Tradeoffs in Equivariant Tensor Products

E(3)-equivariant neural networks have demonstrated success across a wide range of 3D modelling tasks. A fundamental operation in these networks is the tensor product, which interacts two geometric features in an equivariant manner to create new features. Due to the high computational complexity of the tensor product, significant effort has been invested to optimize the runtime of this operation. For example, Luo et al. (2024) recently proposed the Gaunt tensor product (GTP) which promises a significant speedup. In this work, we provide a careful, systematic analysis of a number of tensor product operations. In particular, we emphasize that different tensor products are not performing the same operation. The reported speedups typically come at the cost of expressivity. We introduce measures of expressivity and interactability to characterize these differences. In addition, we realized the original implementation of GTP can be greatly simplified by directly using a spherical grid at no cost in asymptotic runtime. This spherical grid approach is faster on our benchmarks and in actual training of the MACE interatomic potential by 30%. Finally, we provide the first systematic microbenchmarks of the various tensor product operations. We find that the theoretical runtime guarantees can differ wildly from empirical performance, demonstrating the need for careful application-specific benchmarking. Code is available at https://github.com/atomicarchitects/PriceofFreedom.

GradSign: Model Performance Inference with Theoretical Insights

A key challenge in neural architecture search (NAS) is quickly inferring the predictive performance of a broad spectrum of networks to discover statistically accurate and computationally efficient ones. We refer to this task as model performance inference (MPI). The current practice for efficient MPI is gradient-based methods that leverage the gradients of a network at initialization to infer its performance. However, existing gradient-based methods rely only on heuristic metrics and lack the necessary theoretical foundations to consolidate their designs. We propose GradSign, an accurate, simple, and flexible metric for model performance inference with theoretical insights. The key idea behind GradSign is a quantity {\Psi} to analyze the optimization landscape of different networks at the granularity of individual training samples. Theoretically, we show that both the network's training and true population losses are proportionally upper-bounded by {\Psi} under reasonable assumptions. In addition, we design GradSign, an accurate and simple approximation of {\Psi} using the gradients of a network evaluated at a random initialization state. Evaluation on seven NAS benchmarks across three training datasets shows that GradSign generalizes well to real-world networks and consistently outperforms state-of-the-art gradient-based methods for MPI evaluated by Spearman's {\rho} and Kendall's Tau. Additionally, we integrate GradSign into four existing NAS algorithms and show that the GradSign-assisted NAS algorithms outperform their vanilla counterparts by improving the accuracies of best-discovered networks by up to 0.3%, 1.1%, and 1.0% on three real-world tasks.

Boosting Reservoir Computing with Brain-inspired Adaptive Dynamics

Reservoir computers (RCs) provide a computationally efficient alternative to deep learning while also offering a framework for incorporating brain-inspired computational principles. By using an internal neural network with random, fixed connections-the 'reservoir'-and training only the output weights, RCs simplify the training process but remain sensitive to the choice of hyperparameters that govern activation functions and network architecture. Moreover, typical RC implementations overlook a critical aspect of neuronal dynamics: the balance between excitatory and inhibitory (E-I) signals, which is essential for robust brain function. We show that RCs characteristically perform best in balanced or slightly over-inhibited regimes, outperforming excitation-dominated ones. To reduce the need for precise hyperparameter tuning, we introduce a self-adapting mechanism that locally adjusts E/I balance to achieve target neuronal firing rates, improving performance by up to 130% in tasks like memory capacity and time series prediction compared with globally tuned RCs. Incorporating brain-inspired heterogeneity in target neuronal firing rates further reduces the need for fine-tuning hyperparameters and enables RCs to excel across linear and non-linear tasks. These results support a shift from static optimization to dynamic adaptation in reservoir design, demonstrating how brain-inspired mechanisms improve RC performance and robustness while deepening our understanding of neural computation.

Respecting causality is all you need for training physics-informed neural networks

While the popularity of physics-informed neural networks (PINNs) is steadily rising, to this date PINNs have not been successful in simulating dynamical systems whose solution exhibits multi-scale, chaotic or turbulent behavior. In this work we attribute this shortcoming to the inability of existing PINNs formulations to respect the spatio-temporal causal structure that is inherent to the evolution of physical systems. We argue that this is a fundamental limitation and a key source of error that can ultimately steer PINN models to converge towards erroneous solutions. We address this pathology by proposing a simple re-formulation of PINNs loss functions that can explicitly account for physical causality during model training. We demonstrate that this simple modification alone is enough to introduce significant accuracy improvements, as well as a practical quantitative mechanism for assessing the convergence of a PINNs model. We provide state-of-the-art numerical results across a series of benchmarks for which existing PINNs formulations fail, including the chaotic Lorenz system, the Kuramoto-Sivashinsky equation in the chaotic regime, and the Navier-Stokes equations in the turbulent regime. To the best of our knowledge, this is the first time that PINNs have been successful in simulating such systems, introducing new opportunities for their applicability to problems of industrial complexity.

Network Pruning via Transformable Architecture Search

Network pruning reduces the computation costs of an over-parameterized network without performance damage. Prevailing pruning algorithms pre-define the width and depth of the pruned networks, and then transfer parameters from the unpruned network to pruned networks. To break the structure limitation of the pruned networks, we propose to apply neural architecture search to search directly for a network with flexible channel and layer sizes. The number of the channels/layers is learned by minimizing the loss of the pruned networks. The feature map of the pruned network is an aggregation of K feature map fragments (generated by K networks of different sizes), which are sampled based on the probability distribution.The loss can be back-propagated not only to the network weights, but also to the parameterized distribution to explicitly tune the size of the channels/layers. Specifically, we apply channel-wise interpolation to keep the feature map with different channel sizes aligned in the aggregation procedure. The maximum probability for the size in each distribution serves as the width and depth of the pruned network, whose parameters are learned by knowledge transfer, e.g., knowledge distillation, from the original networks. Experiments on CIFAR-10, CIFAR-100 and ImageNet demonstrate the effectiveness of our new perspective of network pruning compared to traditional network pruning algorithms. Various searching and knowledge transfer approaches are conducted to show the effectiveness of the two components. Code is at: https://github.com/D-X-Y/NAS-Projects.

Generative Modeling of Regular and Irregular Time Series Data via Koopman VAEs

Generating realistic time series data is important for many engineering and scientific applications. Existing work tackles this problem using generative adversarial networks (GANs). However, GANs are often unstable during training, and they can suffer from mode collapse. While variational autoencoders (VAEs) are known to be more robust to these issues, they are (surprisingly) less often considered for time series generation. In this work, we introduce Koopman VAE (KVAE), a new generative framework that is based on a novel design for the model prior, and that can be optimized for either regular and irregular training data. Inspired by Koopman theory, we represent the latent conditional prior dynamics using a linear map. Our approach enhances generative modeling with two desired features: (i) incorporating domain knowledge can be achieved by leverageing spectral tools that prescribe constraints on the eigenvalues of the linear map; and (ii) studying the qualitative behavior and stablity of the system can be performed using tools from dynamical systems theory. Our results show that KVAE outperforms state-of-the-art GAN and VAE methods across several challenging synthetic and real-world time series generation benchmarks. Whether trained on regular or irregular data, KVAE generates time series that improve both discriminative and predictive metrics. We also present visual evidence suggesting that KVAE learns probability density functions that better approximate empirical ground truth distributions.

Transformers Can Do Bayesian Inference

Currently, it is hard to reap the benefits of deep learning for Bayesian methods, which allow the explicit specification of prior knowledge and accurately capture model uncertainty. We present Prior-Data Fitted Networks (PFNs). PFNs leverage large-scale machine learning techniques to approximate a large set of posteriors. The only requirement for PFNs to work is the ability to sample from a prior distribution over supervised learning tasks (or functions). Our method restates the objective of posterior approximation as a supervised classification problem with a set-valued input: it repeatedly draws a task (or function) from the prior, draws a set of data points and their labels from it, masks one of the labels and learns to make probabilistic predictions for it based on the set-valued input of the rest of the data points. Presented with a set of samples from a new supervised learning task as input, PFNs make probabilistic predictions for arbitrary other data points in a single forward propagation, having learned to approximate Bayesian inference. We demonstrate that PFNs can near-perfectly mimic Gaussian processes and also enable efficient Bayesian inference for intractable problems, with over 200-fold speedups in multiple setups compared to current methods. We obtain strong results in very diverse areas such as Gaussian process regression, Bayesian neural networks, classification for small tabular data sets, and few-shot image classification, demonstrating the generality of PFNs. Code and trained PFNs are released at https://github.com/automl/TransformersCanDoBayesianInference.

Efficient Bayesian Learning Curve Extrapolation using Prior-Data Fitted Networks

Learning curve extrapolation aims to predict model performance in later epochs of training, based on the performance in earlier epochs. In this work, we argue that, while the inherent uncertainty in the extrapolation of learning curves warrants a Bayesian approach, existing methods are (i) overly restrictive, and/or (ii) computationally expensive. We describe the first application of prior-data fitted neural networks (PFNs) in this context. A PFN is a transformer, pre-trained on data generated from a prior, to perform approximate Bayesian inference in a single forward pass. We propose LC-PFN, a PFN trained to extrapolate 10 million artificial right-censored learning curves generated from a parametric prior proposed in prior art using MCMC. We demonstrate that LC-PFN can approximate the posterior predictive distribution more accurately than MCMC, while being over 10 000 times faster. We also show that the same LC-PFN achieves competitive performance extrapolating a total of 20 000 real learning curves from four learning curve benchmarks (LCBench, NAS-Bench-201, Taskset, and PD1) that stem from training a wide range of model architectures (MLPs, CNNs, RNNs, and Transformers) on 53 different datasets with varying input modalities (tabular, image, text, and protein data). Finally, we investigate its potential in the context of model selection and find that a simple LC-PFN based predictive early stopping criterion obtains 2 - 6x speed-ups on 45 of these datasets, at virtually no overhead.

EControl: Fast Distributed Optimization with Compression and Error Control

Modern distributed training relies heavily on communication compression to reduce the communication overhead. In this work, we study algorithms employing a popular class of contractive compressors in order to reduce communication overhead. However, the naive implementation often leads to unstable convergence or even exponential divergence due to the compression bias. Error Compensation (EC) is an extremely popular mechanism to mitigate the aforementioned issues during the training of models enhanced by contractive compression operators. Compared to the effectiveness of EC in the data homogeneous regime, the understanding of the practicality and theoretical foundations of EC in the data heterogeneous regime is limited. Existing convergence analyses typically rely on strong assumptions such as bounded gradients, bounded data heterogeneity, or large batch accesses, which are often infeasible in modern machine learning applications. We resolve the majority of current issues by proposing EControl, a novel mechanism that can regulate error compensation by controlling the strength of the feedback signal. We prove fast convergence for EControl in standard strongly convex, general convex, and nonconvex settings without any additional assumptions on the problem or data heterogeneity. We conduct extensive numerical evaluations to illustrate the efficacy of our method and support our theoretical findings.

AP: Selective Activation for De-sparsifying Pruned Neural Networks

The rectified linear unit (ReLU) is a highly successful activation function in neural networks as it allows networks to easily obtain sparse representations, which reduces overfitting in overparameterized networks. However, in network pruning, we find that the sparsity introduced by ReLU, which we quantify by a term called dynamic dead neuron rate (DNR), is not beneficial for the pruned network. Interestingly, the more the network is pruned, the smaller the dynamic DNR becomes during optimization. This motivates us to propose a method to explicitly reduce the dynamic DNR for the pruned network, i.e., de-sparsify the network. We refer to our method as Activating-while-Pruning (AP). We note that AP does not function as a stand-alone method, as it does not evaluate the importance of weights. Instead, it works in tandem with existing pruning methods and aims to improve their performance by selective activation of nodes to reduce the dynamic DNR. We conduct extensive experiments using popular networks (e.g., ResNet, VGG) via two classical and three state-of-the-art pruning methods. The experimental results on public datasets (e.g., CIFAR-10/100) suggest that AP works well with existing pruning methods and improves the performance by 3% - 4%. For larger scale datasets (e.g., ImageNet) and state-of-the-art networks (e.g., vision transformer), we observe an improvement of 2% - 3% with AP as opposed to without. Lastly, we conduct an ablation study to examine the effectiveness of the components comprising AP.

Improving equilibrium propagation without weight symmetry through Jacobian homeostasis

Equilibrium propagation (EP) is a compelling alternative to the backpropagation of error algorithm (BP) for computing gradients of neural networks on biological or analog neuromorphic substrates. Still, the algorithm requires weight symmetry and infinitesimal equilibrium perturbations, i.e., nudges, to estimate unbiased gradients efficiently. Both requirements are challenging to implement in physical systems. Yet, whether and how weight asymmetry affects its applicability is unknown because, in practice, it may be masked by biases introduced through the finite nudge. To address this question, we study generalized EP, which can be formulated without weight symmetry, and analytically isolate the two sources of bias. For complex-differentiable non-symmetric networks, we show that the finite nudge does not pose a problem, as exact derivatives can still be estimated via a Cauchy integral. In contrast, weight asymmetry introduces bias resulting in low task performance due to poor alignment of EP's neuronal error vectors compared to BP. To mitigate this issue, we present a new homeostatic objective that directly penalizes functional asymmetries of the Jacobian at the network's fixed point. This homeostatic objective dramatically improves the network's ability to solve complex tasks such as ImageNet 32x32. Our results lay the theoretical groundwork for studying and mitigating the adverse effects of imperfections of physical networks on learning algorithms that rely on the substrate's relaxation dynamics.

Hopfield Networks is All You Need

We introduce a modern Hopfield network with continuous states and a corresponding update rule. The new Hopfield network can store exponentially (with the dimension of the associative space) many patterns, retrieves the pattern with one update, and has exponentially small retrieval errors. It has three types of energy minima (fixed points of the update): (1) global fixed point averaging over all patterns, (2) metastable states averaging over a subset of patterns, and (3) fixed points which store a single pattern. The new update rule is equivalent to the attention mechanism used in transformers. This equivalence enables a characterization of the heads of transformer models. These heads perform in the first layers preferably global averaging and in higher layers partial averaging via metastable states. The new modern Hopfield network can be integrated into deep learning architectures as layers to allow the storage of and access to raw input data, intermediate results, or learned prototypes. These Hopfield layers enable new ways of deep learning, beyond fully-connected, convolutional, or recurrent networks, and provide pooling, memory, association, and attention mechanisms. We demonstrate the broad applicability of the Hopfield layers across various domains. Hopfield layers improved state-of-the-art on three out of four considered multiple instance learning problems as well as on immune repertoire classification with several hundreds of thousands of instances. On the UCI benchmark collections of small classification tasks, where deep learning methods typically struggle, Hopfield layers yielded a new state-of-the-art when compared to different machine learning methods. Finally, Hopfield layers achieved state-of-the-art on two drug design datasets. The implementation is available at: https://github.com/ml-jku/hopfield-layers

Improved Robustness for Deep Learning-based Segmentation of Multi-Center Myocardial Perfusion MRI Datasets Using Data Adaptive Uncertainty-guided Space-time Analysis

Background. Fully automatic analysis of myocardial perfusion MRI datasets enables rapid and objective reporting of stress/rest studies in patients with suspected ischemic heart disease. Developing deep learning techniques that can analyze multi-center datasets despite limited training data and variations in software and hardware is an ongoing challenge. Methods. Datasets from 3 medical centers acquired at 3T (n = 150 subjects) were included: an internal dataset (inD; n = 95) and two external datasets (exDs; n = 55) used for evaluating the robustness of the trained deep neural network (DNN) models against differences in pulse sequence (exD-1) and scanner vendor (exD-2). A subset of inD (n = 85) was used for training/validation of a pool of DNNs for segmentation, all using the same spatiotemporal U-Net architecture and hyperparameters but with different parameter initializations. We employed a space-time sliding-patch analysis approach that automatically yields a pixel-wise "uncertainty map" as a byproduct of the segmentation process. In our approach, a given test case is segmented by all members of the DNN pool and the resulting uncertainty maps are leveraged to automatically select the "best" one among the pool of solutions. Results. The proposed DAUGS analysis approach performed similarly to the established approach on the internal dataset (p = n.s.) whereas it significantly outperformed on the external datasets (p < 0.005 for exD-1 and exD-2). Moreover, the number of image series with "failed" segmentation was significantly lower for the proposed vs. the established approach (4.3% vs. 17.1%, p < 0.0005). Conclusions. The proposed DAUGS analysis approach has the potential to improve the robustness of deep learning methods for segmentation of multi-center stress perfusion datasets with variations in the choice of pulse sequence, site location or scanner vendor.

Model-Based Control with Sparse Neural Dynamics

Learning predictive models from observations using deep neural networks (DNNs) is a promising new approach to many real-world planning and control problems. However, common DNNs are too unstructured for effective planning, and current control methods typically rely on extensive sampling or local gradient descent. In this paper, we propose a new framework for integrated model learning and predictive control that is amenable to efficient optimization algorithms. Specifically, we start with a ReLU neural model of the system dynamics and, with minimal losses in prediction accuracy, we gradually sparsify it by removing redundant neurons. This discrete sparsification process is approximated as a continuous problem, enabling an end-to-end optimization of both the model architecture and the weight parameters. The sparsified model is subsequently used by a mixed-integer predictive controller, which represents the neuron activations as binary variables and employs efficient branch-and-bound algorithms. Our framework is applicable to a wide variety of DNNs, from simple multilayer perceptrons to complex graph neural dynamics. It can efficiently handle tasks involving complicated contact dynamics, such as object pushing, compositional object sorting, and manipulation of deformable objects. Numerical and hardware experiments show that, despite the aggressive sparsification, our framework can deliver better closed-loop performance than existing state-of-the-art methods.