Design of hardware based on biological principles of neuronal computation and plasticity in the brain is a leading approach to realizing energy- and sample-efficient artificial intelligence and learning machines. An important factor in selection of the hardware building blocks is the identification of candidate materials with physical properties suitable to emulate the large dynamic ranges and varied timescales of neuronal signaling. Previous work has shown that the all-or-none spiking behavior of neurons can be mimicked by threshold switches utilizing phase transitions. Here we demonstrate that devices based on a prototypical metal-insulator-transition material, vanadium dioxide (VO2), can be dynamically controlled to access a continuum of intermediate resistance states. Furthermore, the timescale of their intrinsic relaxation can be configured to match a range of biologically-relevant timescales from milliseconds to seconds. We exploit these device properties to emulate three aspects of neuronal analog computation: fast (~1 ms) spiking in a neuronal soma compartment, slow (~100 ms) spiking in a dendritic compartment, and ultraslow (~1 s) biochemical signaling involved in temporal credit assignment for a recently discovered biological mechanism of one-shot learning. Simulations show that an artificial neural network using properties of VO2 devices to control an agent navigating a spatial environment can learn an efficient path to a reward in up to 4 fold fewer trials than standard methods. The phase relaxations described in our study may be engineered in a variety of materials, and can be controlled by thermal, electrical, or optical stimuli, suggesting further opportunities to emulate biological learning.
Numerical simulations of kinetic problems can become prohibitively expensive due to their large memory footprint and computational costs. A method that has proven to successfully reduce these costs is the dynamical low-rank approximation (DLRA). One key question when using DLRA methods is the construction of robust time integrators that preserve the invariances and associated conservation laws of the original problem. In this work, we demonstrate that the augmented basis update & Galerkin integrator (BUG) preserves solution invariances and the associated conservation laws when using a conservative truncation step and an appropriate time and space discretization. We present numerical comparisons to existing conservative integrators and discuss advantages and disadvantages
Advancements in materials play a crucial role in technological progress. However, the process of discovering and developing materials with desired properties is often impeded by substantial experimental costs, extensive resource utilization, and lengthy development periods. To address these challenges, modern approaches often employ machine learning (ML) techniques such as Bayesian Optimization (BO), which streamline the search for optimal materials by iteratively selecting experiments that are most likely to yield beneficial results. However, traditional BO methods, while beneficial, often struggle with balancing the trade-off between exploration and exploitation, leading to sub-optimal performance in material discovery processes. This paper introduces a novel Threshold-Driven UCB-EI Bayesian Optimization (TDUE-BO) method, which dynamically integrates the strengths of Upper Confidence Bound (UCB) and Expected Improvement (EI) acquisition functions to optimize the material discovery process. Unlike the classical BO, our method focuses on efficiently navigating the high-dimensional material design space (MDS). TDUE-BO begins with an exploration-focused UCB approach, ensuring a comprehensive initial sweep of the MDS. As the model gains confidence, indicated by reduced uncertainty, it transitions to the more exploitative EI method, focusing on promising areas identified earlier. The UCB-to-EI switching policy dictated guided through continuous monitoring of the model uncertainty during each step of sequential sampling results in navigating through the MDS more efficiently while ensuring rapid convergence. The effectiveness of TDUE-BO is demonstrated through its application on three different material datasets, showing significantly better approximation and optimization performance over the EI and UCB-based BO methods in terms of the RMSE scores and convergence efficiency, respectively.
We study the training of deep neural networks by gradient descent where floating-point arithmetic is used to compute the gradients. In this framework and under realistic assumptions, we demonstrate that it is highly unlikely to find ReLU neural networks that maintain, in the course of training with gradient descent, superlinearly many affine pieces with respect to their number of layers. In virtually all approximation theoretical arguments that yield high-order polynomial rates of approximation, sequences of ReLU neural networks with exponentially many affine pieces compared to their numbers of layers are used. As a consequence, we conclude that approximating sequences of ReLU neural networks resulting from gradient descent in practice differ substantially from theoretically constructed sequences. The assumptions and the theoretical results are compared to a numerical study, which yields concurring results.
Complex and nonlinear dynamical systems often involve parameters that change with time, accurate tracking of which is essential to tasks such as state estimation, prediction, and control. Existing machine-learning methods require full state observation of the underlying system and tacitly assume adiabatic changes in the parameter. Formulating an inverse problem and exploiting reservoir computing, we develop a model-free and fully data-driven framework to accurately track time-varying parameters from partial state observation in real time. In particular, with training data from a subset of the dynamical variables of the system for a small number of known parameter values, the framework is able to accurately predict the parameter variations in time. Low- and high-dimensional, Markovian and non-Markovian nonlinear dynamical systems are used to demonstrate the power of the machine-learning based parameter-tracking framework. Pertinent issues affecting the tracking performance are addressed.
Redundant information transfer in a neural network can increase the complexity of the deep learning model, thus increasing its power consumption. We introduce in this paper a novel spiking neuron, termed Variable Spiking Neuron (VSN), which can reduce the redundant firing using lessons from biological neuron inspired Leaky Integrate and Fire Spiking Neurons (LIF-SN). The proposed VSN blends LIF-SN and artificial neurons. It garners the advantage of intermittent firing from the LIF-SN and utilizes the advantage of continuous activation from the artificial neuron. This property of the proposed VSN makes it suitable for regression tasks, which is a weak point for the vanilla spiking neurons, all while keeping the energy budget low. The proposed VSN is tested against both classification and regression tasks. The results produced advocate favorably towards the efficacy of the proposed spiking neuron, particularly for regression tasks.
Measurements of systems taken along a continuous functional dimension, such as time or space, are ubiquitous in many fields, from the physical and biological sciences to economics and engineering.Such measurements can be viewed as realisations of an underlying smooth process sampled over the continuum. However, traditional methods for independence testing and causal learning are not directly applicable to such data, as they do not take into account the dependence along the functional dimension. By using specifically designed kernels, we introduce statistical tests for bivariate, joint, and conditional independence for functional variables. Our method not only extends the applicability to functional data of the HSIC and its d-variate version (d-HSIC), but also allows us to introduce a test for conditional independence by defining a novel statistic for the CPT based on the HSCIC, with optimised regularisation strength estimated through an evaluation rejection rate. Our empirical results of the size and power of these tests on synthetic functional data show good performance, and we then exemplify their application to several constraint- and regression-based causal structure learning problems, including both synthetic examples and real socio-economic data.
Large medical imaging data sets are becoming increasingly available, but ensuring sample quality without significant artefacts is challenging. Existing methods for identifying imperfections in medical imaging rely on data-intensive approaches, compounded by a scarcity of artefact-rich scans for training machine learning models in clinical research. To tackle this problem, we propose a framework with four main components: 1) artefact generators inspired by magnetic resonance physics to corrupt brain MRI scans and augment a training dataset, 2) abstract and engineered features to represent images compactly, 3) a feature selection process depending on the artefact class to improve classification, and 4) SVM classifiers to identify artefacts. Our contributions are threefold: first, physics-based artefact generators produce synthetic brain MRI scans with controlled artefacts for data augmentation. This will avoid the labour-intensive collection and labelling process of scans with rare artefacts. Second, we propose a pool of abstract and engineered image features to identify 9 different artefacts for structural MRI. Finally, we use an artefact-based feature selection block that, for each class of artefacts, finds the set of features providing the best classification performance. We performed validation experiments on a large data set of scans with artificially-generated artefacts, and in a multiple sclerosis clinical trial where real artefacts were identified by experts, showing that the proposed pipeline outperforms traditional methods. In particular, our data augmentation increases performance by up to 12.5 percentage points on accuracy, precision, and recall. The computational efficiency of our pipeline enables potential real-time deployment, promising high-throughput clinical applications through automated image-processing pipelines driven by quality control systems.
We hypothesize that due to the greedy nature of learning in multi-modal deep neural networks, these models tend to rely on just one modality while under-fitting the other modalities. Such behavior is counter-intuitive and hurts the models' generalization, as we observe empirically. To estimate the model's dependence on each modality, we compute the gain on the accuracy when the model has access to it in addition to another modality. We refer to this gain as the conditional utilization rate. In the experiments, we consistently observe an imbalance in conditional utilization rates between modalities, across multiple tasks and architectures. Since conditional utilization rate cannot be computed efficiently during training, we introduce a proxy for it based on the pace at which the model learns from each modality, which we refer to as the conditional learning speed. We propose an algorithm to balance the conditional learning speeds between modalities during training and demonstrate that it indeed addresses the issue of greedy learning. The proposed algorithm improves the model's generalization on three datasets: Colored MNIST, Princeton ModelNet40, and NVIDIA Dynamic Hand Gesture.
Artificial neural networks thrive in solving the classification problem for a particular rigid task, acquiring knowledge through generalized learning behaviour from a distinct training phase. The resulting network resembles a static entity of knowledge, with endeavours to extend this knowledge without targeting the original task resulting in a catastrophic forgetting. Continual learning shifts this paradigm towards networks that can continually accumulate knowledge over different tasks without the need to retrain from scratch. We focus on task incremental classification, where tasks arrive sequentially and are delineated by clear boundaries. Our main contributions concern 1) a taxonomy and extensive overview of the state-of-the-art, 2) a novel framework to continually determine the stability-plasticity trade-off of the continual learner, 3) a comprehensive experimental comparison of 11 state-of-the-art continual learning methods and 4 baselines. We empirically scrutinize method strengths and weaknesses on three benchmarks, considering Tiny Imagenet and large-scale unbalanced iNaturalist and a sequence of recognition datasets. We study the influence of model capacity, weight decay and dropout regularization, and the order in which the tasks are presented, and qualitatively compare methods in terms of required memory, computation time, and storage.
A key requirement for the success of supervised deep learning is a large labeled dataset - a condition that is difficult to meet in medical image analysis. Self-supervised learning (SSL) can help in this regard by providing a strategy to pre-train a neural network with unlabeled data, followed by fine-tuning for a downstream task with limited annotations. Contrastive learning, a particular variant of SSL, is a powerful technique for learning image-level representations. In this work, we propose strategies for extending the contrastive learning framework for segmentation of volumetric medical images in the semi-supervised setting with limited annotations, by leveraging domain-specific and problem-specific cues. Specifically, we propose (1) novel contrasting strategies that leverage structural similarity across volumetric medical images (domain-specific cue) and (2) a local version of the contrastive loss to learn distinctive representations of local regions that are useful for per-pixel segmentation (problem-specific cue). We carry out an extensive evaluation on three Magnetic Resonance Imaging (MRI) datasets. In the limited annotation setting, the proposed method yields substantial improvements compared to other self-supervision and semi-supervised learning techniques. When combined with a simple data augmentation technique, the proposed method reaches within 8% of benchmark performance using only two labeled MRI volumes for training, corresponding to only 4% (for ACDC) of the training data used to train the benchmark.