Recent advances in deep learning have given us some very promising results on the generalization ability of deep neural networks, however literature still lacks a comprehensive theory explaining why heavily over-parametrized models are able to generalize well while fitting the training data. In this paper we propose a PAC type bound on the generalization error of feedforward ReLU networks via estimating the Rademacher complexity of the set of networks available from an initial parameter vector via gradient descent. The key idea is to bound the sensitivity of the network's gradient to perturbation of the input data along the optimization trajectory. The obtained bound does not explicitly depend on the depth of the network. Our results are experimentally verified on the MNIST and CIFAR-10 datasets.
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Equivariant neural networks have considerably improved the accuracy and data-efficiency of predictions of molecular properties. Building on this success, we introduce EquiReact, an equivariant neural network to infer properties of chemical reactions, built from three-dimensional structures of reactants and products. We illustrate its competitive performance on the prediction of activation barriers on the GDB7-22-TS, Cyclo-23-TS and Proparg-21-TS datasets with different regimes according to the inclusion of atom-mapping information. We show that, compared to state-of-the-art models for reaction property prediction, EquiReact offers: (i) a flexible model with reduced sensitivity between atom-mapping regimes, (ii) better extrapolation capabilities to unseen chemistries, (iii) impressive prediction errors for datasets exhibiting subtle variations in three-dimensional geometries of reactants/products, (iv) reduced sensitivity to geometry quality and (iv) excellent data efficiency.
Active learning can improve the efficiency of training prediction models by identifying the most informative new labels to acquire. However, non-response to label requests can impact active learning's effectiveness in real-world contexts. We conceptualise this degradation by considering the type of non-response present in the data, demonstrating that biased non-response is particularly detrimental to model performance. We argue that this sort of non-response is particularly likely in contexts where the labelling process, by nature, relies on user interactions. To mitigate the impact of biased non-response, we propose a cost-based correction to the sampling strategy--the Upper Confidence Bound of the Expected Utility (UCB-EU)--that can, plausibly, be applied to any active learning algorithm. Through experiments, we demonstrate that our method successfully reduces the harm from labelling non-response in many settings. However, we also characterise settings where the non-response bias in the annotations remains detrimental under UCB-EU for particular sampling methods and data generating processes. Finally, we evaluate our method on a real-world dataset from e-commerce platform Taobao. We show that UCB-EU yields substantial performance improvements to conversion models that are trained on clicked impressions. Most generally, this research serves to both better conceptualise the interplay between types of non-response and model improvements via active learning, and to provide a practical, easy to implement correction that helps mitigate model degradation.
A temporal graph can be represented by a graph with an edge labelling, such that an edge is present in the network if and only if the edge is assigned the corresponding time label. A journey is a labelled path in a temporal graph such that labels on successive edges of the path are increasing, and if all vertices admit journeys to all other vertices, the temporal graph is temporally connected. A temporal spanner is a sublabelling of the temporal graph such that temporal connectivity is maintained. The study of temporal spanners has raised interest since the early 2000's. Essentially two types of studies have been conducted: the positive side where families of temporal graphs are shown to (deterministically or stochastically) admit sparse temporal spanners, and the negative side where constructions of temporal graphs with no sparse spanners are of importance. Often such studies considered temporal graphs with happy or simple labellings, which associate exactly one label per edge. In this paper, we focus on the negative side and consider proper labellings, where multiple labels per edge are allowed. More precisely, we aim to construct dense temporally connected graphs such that all labels are necessary for temporal connectivity. Our contributions are multiple: we present the first labellings maximizing a local density measure; exact or asymptotically tight results for basic graph families, which are then extended to larger graph families; an extension of an efficient temporal graph labelling generator; and overall denser labellings than previous work even when restricted to happy labellings.
The impact of outliers and anomalies on model estimation and data processing is of paramount importance, as evidenced by the extensive body of research spanning various fields over several decades: thousands of research papers have been published on the subject. As a consequence, numerous reviews, surveys, and textbooks have sought to summarize the existing literature, encompassing a wide range of methods from both the statistical and data mining communities. While these endeavors to organize and summarize the research are invaluable, they face inherent challenges due to the pervasive nature of outliers and anomalies in all data-intensive applications, irrespective of the specific application field or scientific discipline. As a result, the resulting collection of papers remains voluminous and somewhat heterogeneous. To address the need for knowledge organization in this domain, this paper implements the first systematic meta-survey of general surveys and reviews on outlier and anomaly detection. Employing a classical systematic survey approach, the study collects nearly 500 papers using two specialized scientific search engines. From this comprehensive collection, a subset of 56 papers that claim to be general surveys on outlier detection is selected using a snowball search technique to enhance field coverage. A meticulous quality assessment phase further refines the selection to a subset of 25 high-quality general surveys. Using this curated collection, the paper investigates the evolution of the outlier detection field over a 20-year period, revealing emerging themes and methods. Furthermore, an analysis of the surveys sheds light on the survey writing practices adopted by scholars from different communities who have contributed to this field. Finally, the paper delves into several topics where consensus has emerged from the literature. These include taxonomies of outlier types, challenges posed by high-dimensional data, the importance of anomaly scores, the impact of learning conditions, difficulties in benchmarking, and the significance of neural networks. Non-consensual aspects are also discussed, particularly the distinction between local and global outliers and the challenges in organizing detection methods into meaningful taxonomies.
We devise, implement and performance-asses DYAD, a layer which can serve as a faster and more memory-efficient approximate replacement for linear layers, (nn.Linear() in Pytorch). These layers appear in common subcomponents, such as in the ff module of Transformers. DYAD is based on a bespoke near-sparse matrix structure which approximates the dense "weight" matrix W that matrix-multiplies the input in the typical realization of such a layer, a.k.a DENSE. Our alternative near-sparse matrix structure is decomposable to a sum of 2 matrices permutable to a block-sparse counterpart. These can be represented as 3D tensors, which in unison allow a faster execution of matrix multiplication with the mini-batched input matrix X compared to DENSE (O(rows(W ) x cols(W )) --> O( rows(W ) x cols(W ) # of blocks )). As the crux of our experiments, we pretrain both DYAD and DENSE variants of 2 sizes of the OPT arch and 1 size of the Pythia arch, including at different token scales of the babyLM benchmark. We find DYAD to be competitive (>= 90%) of DENSE performance on zero-shot (e.g. BLIMP), few-shot (OPENLM) and finetuning (GLUE) benchmarks, while being >=7-15% faster to train on-GPU even at 125m scale, besides surfacing larger speedups at increasing scale and model width.
Curb detection is essential for environmental awareness in Automated Driving (AD), as it typically limits drivable and non-drivable areas. Annotated data are necessary for developing and validating an AD function. However, the number of public datasets with annotated point cloud curbs is scarce. This paper presents a method for detecting 3D curbs in a sequence of point clouds captured from a LiDAR sensor, which consists of two main steps. First, our approach detects the curbs at each scan using a segmentation deep neural network. Then, a sequence-level processing step estimates the 3D curbs in the reconstructed point cloud using the odometry of the vehicle. From these 3D points of the curb, we obtain polylines structured following ASAM OpenLABEL standard. These detections can be used as pre-annotations in labelling pipelines to efficiently generate curb-related ground truth data. We validate our approach through an experiment in which different human annotators were required to annotate curbs in a group of LiDAR-based sequences with and without our automatically generated pre-annotations. The results show that the manual annotation time is reduced by 50.99% thanks to our detections, keeping the data quality level.
In this paper, we present a sharper version of the results in the paper Dimension independent bounds for general shallow networks; Neural Networks, \textbf{123} (2020), 142-152. Let $\mathbb{X}$ and $\mathbb{Y}$ be compact metric spaces. We consider approximation of functions of the form $ x\mapsto\int_{\mathbb{Y}} G( x, y)d\tau( y)$, $ x\in\mathbb{X}$, by $G$-networks of the form $ x\mapsto \sum_{k=1}^n a_kG( x, y_k)$, $ y_1,\cdots, y_n\in\mathbb{Y}$, $a_1,\cdots, a_n\in\mathbb{R}$. Defining the dimensions of $\mathbb{X}$ and $\mathbb{Y}$ in terms of covering numbers, we obtain dimension independent bounds on the degree of approximation in terms of $n$, where also the constants involved are all dependent at most polynomially on the dimensions. Applications include approximation by power rectified linear unit networks, zonal function networks, certain radial basis function networks as well as the important problem of function extension to higher dimensional spaces.
The accurate and efficient evaluation of Newtonian potentials over general 2-D domains is important for the numerical solution of Poisson's equation and volume integral equations. In this paper, we present a simple and efficient high-order algorithm for computing the Newtonian potential over a planar domain discretized by an unstructured mesh. The algorithm is based on the use of Green's third identity for transforming the Newtonian potential into a collection of layer potentials over the boundaries of the mesh elements, which can be easily evaluated by the Helsing-Ojala method. One important component of our algorithm is the use of high-order (up to order 20) bivariate polynomial interpolation in the monomial basis, for which we provide extensive justification. The performance of our algorithm is illustrated through several numerical experiments.
The growing energy and performance costs of deep learning have driven the community to reduce the size of neural networks by selectively pruning components. Similarly to their biological counterparts, sparse networks generalize just as well, if not better than, the original dense networks. Sparsity can reduce the memory footprint of regular networks to fit mobile devices, as well as shorten training time for ever growing networks. In this paper, we survey prior work on sparsity in deep learning and provide an extensive tutorial of sparsification for both inference and training. We describe approaches to remove and add elements of neural networks, different training strategies to achieve model sparsity, and mechanisms to exploit sparsity in practice. Our work distills ideas from more than 300 research papers and provides guidance to practitioners who wish to utilize sparsity today, as well as to researchers whose goal is to push the frontier forward. We include the necessary background on mathematical methods in sparsification, describe phenomena such as early structure adaptation, the intricate relations between sparsity and the training process, and show techniques for achieving acceleration on real hardware. We also define a metric of pruned parameter efficiency that could serve as a baseline for comparison of different sparse networks. We close by speculating on how sparsity can improve future workloads and outline major open problems in the field.
Deep learning constitutes a recent, modern technique for image processing and data analysis, with promising results and large potential. As deep learning has been successfully applied in various domains, it has recently entered also the domain of agriculture. In this paper, we perform a survey of 40 research efforts that employ deep learning techniques, applied to various agricultural and food production challenges. We examine the particular agricultural problems under study, the specific models and frameworks employed, the sources, nature and pre-processing of data used, and the overall performance achieved according to the metrics used at each work under study. Moreover, we study comparisons of deep learning with other existing popular techniques, in respect to differences in classification or regression performance. Our findings indicate that deep learning provides high accuracy, outperforming existing commonly used image processing techniques.
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