Data-driven medium-range weather forecasting has attracted much attention in recent years. However, the forecasting accuracy at high resolution is unsatisfactory currently. Pursuing high-resolution and high-quality weather forecasting, we develop a data-driven model SwinRDM which integrates an improved version of SwinRNN with a diffusion model. SwinRDM performs predictions at 0.25-degree resolution and achieves superior forecasting accuracy to IFS (Integrated Forecast System), the state-of-the-art operational NWP model, on representative atmospheric variables including 500 hPa geopotential (Z500), 850 hPa temperature (T850), 2-m temperature (T2M), and total precipitation (TP), at lead times of up to 5 days. We propose to leverage a two-step strategy to achieve high-resolution predictions at 0.25-degree considering the trade-off between computation memory and forecasting accuracy. Recurrent predictions for future atmospheric fields are firstly performed at 1.40625-degree resolution, and then a diffusion-based super-resolution model is leveraged to recover the high spatial resolution and finer-scale atmospheric details. SwinRDM pushes forward the performance and potential of data-driven models for a large margin towards operational applications.

In this paper, we propose an unsupervised query enhanced approach for knowledge-intensive conversations, namely QKConv. There are three modules in QKConv: a query generator, an off-the-shelf knowledge selector, and a response generator. QKConv is optimized through joint training, which produces the response by exploring multiple candidate queries and leveraging corresponding selected knowledge. The joint training solely relies on the dialogue context and target response, getting exempt from extra query annotations or knowledge provenances. To evaluate the effectiveness of the proposed QKConv, we conduct experiments on three representative knowledge-intensive conversation datasets: conversational question-answering, task-oriented dialogue, and knowledge-grounded conversation. Experimental results reveal that QKConv performs better than all unsupervised methods across three datasets and achieves competitive performance compared to supervised methods.

Deploying reliable deep learning techniques in interdisciplinary applications needs learned models to output accurate and (even more importantly) explainable predictions. Existing approaches typically explicate network outputs in a post-hoc fashion, under an implicit assumption that faithful explanations come from accurate predictions/classifications. We have an opposite claim that explanations boost (or even determine) classification. That is, end-to-end learning of explanation factors to augment discriminative representation extraction could be a more intuitive strategy to inversely assure fine-grained explainability, e.g., in those neuroimaging and neuroscience studies with high-dimensional data containing noisy, redundant, and task-irrelevant information. In this paper, we propose such an explainable geometric deep network dubbed as NeuroExplainer, with applications to uncover altered infant cortical development patterns associated with preterm birth. Given fundamental cortical attributes as network input, our NeuroExplainer adopts a hierarchical attention-decoding framework to learn fine-grained attentions and respective discriminative representations to accurately recognize preterm infants from term-born infants at term-equivalent age. NeuroExplainer learns the hierarchical attention-decoding modules under subject-level weak supervision coupled with targeted regularizers deduced from domain knowledge regarding brain development. These prior-guided constraints implicitly maximizes the explainability metrics (i.e., fidelity, sparsity, and stability) in network training, driving the learned network to output detailed explanations and accurate classifications. Experimental results on the public dHCP benchmark suggest that NeuroExplainer led to quantitatively reliable explanation results that are qualitatively consistent with representative neuroimaging studies.

Meta-learning algorithms are able to learn a new task using previously learned knowledge, but they often require a large number of meta-training tasks which may not be readily available. To address this issue, we propose a method for few-shot learning with fewer tasks, which we call MetaModulation. The key idea is to use a neural network to increase the density of the meta-training tasks by modulating batch normalization parameters during meta-training. Additionally, we modify parameters at various network levels, rather than just a single layer, to increase task diversity. To account for the uncertainty caused by the limited training tasks, we propose a variational MetaModulation where the modulation parameters are treated as latent variables. We also introduce learning variational feature hierarchies by the variational MetaModulation, which modulates features at all layers and can consider task uncertainty and generate more diverse tasks. The ablation studies illustrate the advantages of utilizing a learnable task modulation at different levels and demonstrate the benefit of incorporating probabilistic variants in few-task meta-learning. Our MetaModulation and its variational variants consistently outperform state-of-the-art alternatives on four few-task meta-learning benchmarks.

Protein representation learning methods have shown great potential to yield useful representation for many downstream tasks, especially on protein classification. Moreover, a few recent studies have shown great promise in addressing insufficient labels of proteins with self-supervised learning methods. However, existing protein language models are usually pretrained on protein sequences without considering the important protein structural information. To this end, we propose a novel structure-aware protein self-supervised learning method to effectively capture structural information of proteins. In particular, a well-designed graph neural network (GNN) model is pretrained to preserve the protein structural information with self-supervised tasks from a pairwise residue distance perspective and a dihedral angle perspective, respectively. Furthermore, we propose to leverage the available protein language model pretrained on protein sequences to enhance the self-supervised learning. Specifically, we identify the relation between the sequential information in the protein language model and the structural information in the specially designed GNN model via a novel pseudo bi-level optimization scheme. Experiments on several supervised downstream tasks verify the effectiveness of our proposed method.The code of the proposed method is available in \url{https://github.com/GGchen1997/STEPS_Bioinformatics}.

The quadratic computational complexity to the number of tokens limits the practical applications of Vision Transformers (ViTs). Several works propose to prune redundant tokens to achieve efficient ViTs. However, these methods generally suffer from (i) dramatic accuracy drops, (ii) application difficulty in the local vision transformer, and (iii) non-general-purpose networks for downstream tasks. In this work, we propose a novel Semantic Token ViT (STViT), for efficient global and local vision transformers, which can also be revised to serve as backbone for downstream tasks. The semantic tokens represent cluster centers, and they are initialized by pooling image tokens in space and recovered by attention, which can adaptively represent global or local semantic information. Due to the cluster properties, a few semantic tokens can attain the same effect as vast image tokens, for both global and local vision transformers. For instance, only 16 semantic tokens on DeiT-(Tiny,Small,Base) can achieve the same accuracy with more than 100% inference speed improvement and nearly 60% FLOPs reduction; on Swin-(Tiny,Small,Base), we can employ 16 semantic tokens in each window to further speed it up by around 20% with slight accuracy increase. Besides great success in image classification, we also extend our method to video recognition. In addition, we design a STViT-R(ecover) network to restore the detailed spatial information based on the STViT, making it work for downstream tasks, which is powerless for previous token sparsification methods. Experiments demonstrate that our method can achieve competitive results compared to the original networks in object detection and instance segmentation, with over 30% FLOPs reduction for backbone. Code is available at http://github.com/changsn/STViT-R

This paper introduces Amazon Robotic Manipulation Benchmark (ARMBench), a large-scale, object-centric benchmark dataset for robotic manipulation in the context of a warehouse. Automation of operations in modern warehouses requires a robotic manipulator to deal with a wide variety of objects, unstructured storage, and dynamically changing inventory. Such settings pose challenges in perceiving the identity, physical characteristics, and state of objects during manipulation. Existing datasets for robotic manipulation consider a limited set of objects or utilize 3D models to generate synthetic scenes with limitation in capturing the variety of object properties, clutter, and interactions. We present a large-scale dataset collected in an Amazon warehouse using a robotic manipulator performing object singulation from containers with heterogeneous contents. ARMBench contains images, videos, and metadata that corresponds to 235K+ pick-and-place activities on 190K+ unique objects. The data is captured at different stages of manipulation, i.e., pre-pick, during transfer, and after placement. Benchmark tasks are proposed by virtue of high-quality annotations and baseline performance evaluation are presented on three visual perception challenges, namely 1) object segmentation in clutter, 2) object identification, and 3) defect detection. ARMBench can be accessed at http://armbench.com

Model attribution is a critical component of deep neural networks (DNNs) for its interpretability to complex models. Recent studies bring up attention to the security of attribution methods as they are vulnerable to attribution attacks that generate similar images with dramatically different attributions. Existing works have been investigating empirically improving the robustness of DNNs against those attacks; however, none of them explicitly quantifies the actual deviations of attributions. In this work, for the first time, a constrained optimization problem is formulated to derive an upper bound that measures the largest dissimilarity of attributions after the samples are perturbed by any noises within a certain region while the classification results remain the same. Based on the formulation, different practical approaches are introduced to bound the attributions above using Euclidean distance and cosine similarity under both $\ell_2$ and $\ell_\infty$-norm perturbations constraints. The bounds developed by our theoretical study are validated on various datasets and two different types of attacks (PGD attack and IFIA attribution attack). Over 10 million attacks in the experiments indicate that the proposed upper bounds effectively quantify the robustness of models based on the worst-case attribution dissimilarities.

AI-based protein structure prediction pipelines, such as AlphaFold2, have achieved near-experimental accuracy. These advanced pipelines mainly rely on Multiple Sequence Alignments (MSAs) as inputs to learn the co-evolution information from the homologous sequences. Nonetheless, searching MSAs from protein databases is time-consuming, usually taking dozens of minutes. Consequently, we attempt to explore the limits of fast protein structure prediction by using only primary sequences of proteins. HelixFold-Single is proposed to combine a large-scale protein language model with the superior geometric learning capability of AlphaFold2. Our proposed method, HelixFold-Single, first pre-trains a large-scale protein language model (PLM) with thousands of millions of primary sequences utilizing the self-supervised learning paradigm, which will be used as an alternative to MSAs for learning the co-evolution information. Then, by combining the pre-trained PLM and the essential components of AlphaFold2, we obtain an end-to-end differentiable model to predict the 3D coordinates of atoms from only the primary sequence. HelixFold-Single is validated in datasets CASP14 and CAMEO, achieving competitive accuracy with the MSA-based methods on the targets with large homologous families. Furthermore, HelixFold-Single consumes much less time than the mainstream pipelines for protein structure prediction, demonstrating its potential in tasks requiring many predictions. The code of HelixFold-Single is available at https://github.com/PaddlePaddle/PaddleHelix/tree/dev/apps/protein_folding/helixfold-single, and we also provide stable web services on https://paddlehelix.baidu.com/app/drug/protein-single/forecast.

Recently, the practical deployment of open-domain dialogue systems has been plagued by the knowledge issue of information deficiency and factual inaccuracy. To this end, we introduce PLATO-K based on two-stage dialogic learning to strengthen internal knowledge memorization and external knowledge exploitation. In the first stage, PLATO-K learns through massive dialogue corpora and memorizes essential knowledge into model parameters. In the second stage, PLATO-K mimics human beings to search for external information and to leverage the knowledge in response generation. Extensive experiments reveal that the knowledge issue is alleviated significantly in PLATO-K with such comprehensive internal and external knowledge enhancement. Compared to the existing state-of-the-art Chinese dialogue model, the overall engagingness of PLATO-K is improved remarkably by 36.2% and 49.2% on chit-chat and knowledge-intensive conversations.