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`scores` is a Python package containing mathematical functions for the verification, evaluation and optimisation of forecasts, predictions or models. It supports labelled n-dimensional (multidimensional) data, which is used in many scientific fields and in machine learning. At present, `scores` primarily supports the geoscience communities; in particular, the meteorological, climatological and oceanographic communities. `scores` not only includes common scores (e.g., Mean Absolute Error), it also includes novel scores not commonly found elsewhere (e.g., FIxed Risk Multicategorical (FIRM) score, Flip-Flop Index), complex scores (e.g., threshold-weighted continuous ranked probability score), and statistical tests (such as the Diebold Mariano test). It also contains isotonic regression which is becoming an increasingly important tool in forecast verification and can be used to generate stable reliability diagrams. Additionally, it provides pre-processing tools for preparing data for scores in a variety of formats including cumulative distribution functions (CDF). At the time of writing, `scores` includes over 50 metrics, statistical techniques and data processing tools. All of the scores and statistical techniques in this package have undergone a thorough scientific and software review. Every score has a companion Jupyter Notebook tutorial that demonstrates its use in practice. `scores` supports `xarray` datatypes, allowing it to work with Earth system data in a range of formats including NetCDF4, HDF5, Zarr and GRIB among others. `scores` uses Dask for scaling and performance. Support for `pandas` is being introduced. The `scores` software repository can be found at //github.com/nci/scores/

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This paper surveys vision-language pre-training (VLP) methods for multimodal intelligence that have been developed in the last few years. We group these approaches into three categories: ($i$) VLP for image-text tasks, such as image captioning, image-text retrieval, visual question answering, and visual grounding; ($ii$) VLP for core computer vision tasks, such as (open-set) image classification, object detection, and segmentation; and ($iii$) VLP for video-text tasks, such as video captioning, video-text retrieval, and video question answering. For each category, we present a comprehensive review of state-of-the-art methods, and discuss the progress that has been made and challenges still being faced, using specific systems and models as case studies. In addition, for each category, we discuss advanced topics being actively explored in the research community, such as big foundation models, unified modeling, in-context few-shot learning, knowledge, robustness, and computer vision in the wild, to name a few.

Recommender systems, a pivotal tool to alleviate the information overload problem, aim to predict user's preferred items from millions of candidates by analyzing observed user-item relations. As for tackling the sparsity and cold start problems encountered by recommender systems, uncovering hidden (indirect) user-item relations by employing side information and knowledge to enrich observed information for the recommendation has been proven promising recently; and its performance is largely determined by the scalability of recommendation models in the face of the high complexity and large scale of side information and knowledge. Making great strides towards efficiently utilizing complex and large-scale data, research into graph embedding techniques is a major topic. Equipping recommender systems with graph embedding techniques contributes to outperforming the conventional recommendation implementing directly based on graph topology analysis and has been widely studied these years. This article systematically retrospects graph embedding-based recommendation from embedding techniques for bipartite graphs, general graphs, and knowledge graphs, and proposes a general design pipeline of that. In addition, comparing several representative graph embedding-based recommendation models with the most common-used conventional recommendation models, on simulations, manifests that the conventional models overall outperform the graph embedding-based ones in predicting implicit user-item interactions, revealing the relative weakness of graph embedding-based recommendation in these tasks. To foster future research, this article proposes constructive suggestions on making a trade-off between graph embedding-based recommendation and the conventional recommendation in different tasks as well as some open questions.

We present ResMLP, an architecture built entirely upon multi-layer perceptrons for image classification. It is a simple residual network that alternates (i) a linear layer in which image patches interact, independently and identically across channels, and (ii) a two-layer feed-forward network in which channels interact independently per patch. When trained with a modern training strategy using heavy data-augmentation and optionally distillation, it attains surprisingly good accuracy/complexity trade-offs on ImageNet. We will share our code based on the Timm library and pre-trained models.

The remarkable practical success of deep learning has revealed some major surprises from a theoretical perspective. In particular, simple gradient methods easily find near-optimal solutions to non-convex optimization problems, and despite giving a near-perfect fit to training data without any explicit effort to control model complexity, these methods exhibit excellent predictive accuracy. We conjecture that specific principles underlie these phenomena: that overparametrization allows gradient methods to find interpolating solutions, that these methods implicitly impose regularization, and that overparametrization leads to benign overfitting. We survey recent theoretical progress that provides examples illustrating these principles in simpler settings. We first review classical uniform convergence results and why they fall short of explaining aspects of the behavior of deep learning methods. We give examples of implicit regularization in simple settings, where gradient methods lead to minimal norm functions that perfectly fit the training data. Then we review prediction methods that exhibit benign overfitting, focusing on regression problems with quadratic loss. For these methods, we can decompose the prediction rule into a simple component that is useful for prediction and a spiky component that is useful for overfitting but, in a favorable setting, does not harm prediction accuracy. We focus specifically on the linear regime for neural networks, where the network can be approximated by a linear model. In this regime, we demonstrate the success of gradient flow, and we consider benign overfitting with two-layer networks, giving an exact asymptotic analysis that precisely demonstrates the impact of overparametrization. We conclude by highlighting the key challenges that arise in extending these insights to realistic deep learning settings.

Message passing Graph Neural Networks (GNNs) provide a powerful modeling framework for relational data. However, the expressive power of existing GNNs is upper-bounded by the 1-Weisfeiler-Lehman (1-WL) graph isomorphism test, which means GNNs that are not able to predict node clustering coefficients and shortest path distances, and cannot differentiate between different d-regular graphs. Here we develop a class of message passing GNNs, named Identity-aware Graph Neural Networks (ID-GNNs), with greater expressive power than the 1-WL test. ID-GNN offers a minimal but powerful solution to limitations of existing GNNs. ID-GNN extends existing GNN architectures by inductively considering nodes' identities during message passing. To embed a given node, ID-GNN first extracts the ego network centered at the node, then conducts rounds of heterogeneous message passing, where different sets of parameters are applied to the center node than to other surrounding nodes in the ego network. We further propose a simplified but faster version of ID-GNN that injects node identity information as augmented node features. Altogether, both versions of ID-GNN represent general extensions of message passing GNNs, where experiments show that transforming existing GNNs to ID-GNNs yields on average 40% accuracy improvement on challenging node, edge, and graph property prediction tasks; 3% accuracy improvement on node and graph classification benchmarks; and 15% ROC AUC improvement on real-world link prediction tasks. Additionally, ID-GNNs demonstrate improved or comparable performance over other task-specific graph networks.

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.

Hashing has been widely used in approximate nearest search for large-scale database retrieval for its computation and storage efficiency. Deep hashing, which devises convolutional neural network architecture to exploit and extract the semantic information or feature of images, has received increasing attention recently. In this survey, several deep supervised hashing methods for image retrieval are evaluated and I conclude three main different directions for deep supervised hashing methods. Several comments are made at the end. Moreover, to break through the bottleneck of the existing hashing methods, I propose a Shadow Recurrent Hashing(SRH) method as a try. Specifically, I devise a CNN architecture to extract the semantic features of images and design a loss function to encourage similar images projected close. To this end, I propose a concept: shadow of the CNN output. During optimization process, the CNN output and its shadow are guiding each other so as to achieve the optimal solution as much as possible. Several experiments on dataset CIFAR-10 show the satisfying performance of SRH.

Although measuring held-out accuracy has been the primary approach to evaluate generalization, it often overestimates the performance of NLP models, while alternative approaches for evaluating models either focus on individual tasks or on specific behaviors. Inspired by principles of behavioral testing in software engineering, we introduce CheckList, a task-agnostic methodology for testing NLP models. CheckList includes a matrix of general linguistic capabilities and test types that facilitate comprehensive test ideation, as well as a software tool to generate a large and diverse number of test cases quickly. We illustrate the utility of CheckList with tests for three tasks, identifying critical failures in both commercial and state-of-art models. In a user study, a team responsible for a commercial sentiment analysis model found new and actionable bugs in an extensively tested model. In another user study, NLP practitioners with CheckList created twice as many tests, and found almost three times as many bugs as users without it.

We study few-shot acoustic event detection (AED) in this paper. Few-shot learning enables detection of new events with very limited labeled data. Compared to other research areas like computer vision, few-shot learning for audio recognition has been under-studied. We formulate few-shot AED problem and explore different ways of utilizing traditional supervised methods for this setting as well as a variety of meta-learning approaches, which are conventionally used to solve few-shot classification problem. Compared to supervised baselines, meta-learning models achieve superior performance, thus showing its effectiveness on generalization to new audio events. Our analysis including impact of initialization and domain discrepancy further validate the advantage of meta-learning approaches in few-shot AED.

Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to handle different types of hypergraphs and are typically not generic for various learning tasks. Indeed, models that can predict variable-sized heterogeneous hyperedges have not been available. Here we develop a new self-attention based graph neural network called Hyper-SAGNN applicable to homogeneous and heterogeneous hypergraphs with variable hyperedge sizes. We perform extensive evaluations on multiple datasets, including four benchmark network datasets and two single-cell Hi-C datasets in genomics. We demonstrate that Hyper-SAGNN significantly outperforms the state-of-the-art methods on traditional tasks while also achieving great performance on a new task called outsider identification. Hyper-SAGNN will be useful for graph representation learning to uncover complex higher-order interactions in different applications.

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