Effective Cloud Removal for Remote Sensing Images by an Improved Mean-Reverting Denoising Model with Elucidated Design Space

Cloud removal (CR) remains a challenging task in remote sensing image processing. Although diffusion models (DM) exhibit strong generative capabilities, their direct applications to CR are suboptimal, as they generate cloudless images from random noise, ignoring inherent information in cloudy inputs. To overcome this drawback, we develop a new CR model EMRDM based on mean-reverting diffusion models (MRDMs) to establish a direct diffusion process between cloudy and cloudless images. Compared to current MRDMs, EMRDM offers a modular framework with updatable modules and an elucidated design space, based on a reformulated forward process and a new ordinary differential equation (ODE)-based backward process. Leveraging our framework, we redesign key MRDM modules to boost CR performance, including restructuring the denoiser via a preconditioning technique, reorganizing the training process, and improving the sampling process by introducing deterministic and stochastic samplers. To achieve multi-temporal CR, we further develop a denoising network for simultaneously denoising sequential images. Experiments on mono-temporal and multi-temporal datasets demonstrate the superior performance of EMRDM. Our code is available at https://github.com/Ly403/EMRDM.

Generative Regression Based Watch Time Prediction for Video Recommendation: Model and Performance

Watch time prediction (WTP) has emerged as a pivotal task in short video recommendation systems, designed to encapsulate user interests. Predicting users' watch times on videos often encounters challenges, including wide value ranges and imbalanced data distributions, which can lead to significant bias when directly regressing watch time. Recent studies have tried to tackle these issues by converting the continuous watch time estimation into an ordinal classification task. While these methods are somewhat effective, they exhibit notable limitations. Inspired by language modeling, we propose a novel Generative Regression (GR) paradigm for WTP based on sequence generation. This approach employs structural discretization to enable the lossless reconstruction of original values while maintaining prediction fidelity. By formulating the prediction problem as a numerical-to-sequence mapping, and with meticulously designed vocabulary and label encodings, each watch time is transformed into a sequence of tokens. To expedite model training, we introduce the curriculum learning with an embedding mixup strategy which can mitigate training-and-inference inconsistency associated with teacher forcing. We evaluate our method against state-of-the-art approaches on four public datasets and one industrial dataset. We also perform online A/B testing on Kuaishou, a leading video app with about 400 million DAUs, to demonstrate the real-world efficacy of our method. The results conclusively show that GR outperforms existing techniques significantly. Furthermore, we successfully apply GR to another regression task in recommendation systems, i.e., Lifetime Value (LTV) prediction, which highlights its potential as a novel and effective solution to general regression challenges.

Fast Causal Discovery by Approximate Kernel-based Generalized Score Functions with Linear Computational Complexity

Score-based causal discovery methods can effectively identify causal relationships by evaluating candidate graphs and selecting the one with the highest score. One popular class of scores is kernel-based generalized score functions, which can adapt to a wide range of scenarios and work well in practice because they circumvent assumptions about causal mechanisms and data distributions. Despite these advantages, kernel-based generalized score functions pose serious computational challenges in time and space, with a time complexity of $\mathcal{O}(n^3)$ and a memory complexity of $\mathcal{O}(n^2)$, where $n$ is the sample size. In this paper, we propose an approximate kernel-based generalized score function with $\mathcal{O}(n)$ time and space complexities by using low-rank technique and designing a set of rules to handle the complex composite matrix operations required to calculate the score, as well as developing sampling algorithms for different data types to benefit the handling of diverse data types efficiently. Our extensive causal discovery experiments on both synthetic and real-world data demonstrate that compared to the state-of-the-art method, our method can not only significantly reduce computational costs, but also achieve comparable accuracy, especially for large datasets.

M$^{3}$-20M: A Large-Scale Multi-Modal Molecule Dataset for AI-driven Drug Design and Discovery

This paper introduces M$^{3}$-20M, a large-scale Multi-Modal Molecular dataset that contains over 20 million molecules. Designed to support AI-driven drug design and discovery, M$^{3}$-20M is 71 times more in the number of molecules than the largest existing dataset, providing an unprecedented scale that can highly benefit training or fine-tuning large (language) models with superior performance for drug design and discovery. This dataset integrates one-dimensional SMILES, two-dimensional molecular graphs, three-dimensional molecular structures, physicochemical properties, and textual descriptions collected through web crawling and generated by using GPT-3.5, offering a comprehensive view of each molecule. To demonstrate the power of M$^{3}$-20M in drug design and discovery, we conduct extensive experiments on two key tasks: molecule generation and molecular property prediction, using large language models including GLM4, GPT-3.5, and GPT-4. Our experimental results show that M$^{3}$-20M can significantly boost model performance in both tasks. Specifically, it enables the models to generate more diverse and valid molecular structures and achieve higher property prediction accuracy than the existing single-modal datasets, which validates the value and potential of M$^{3}$-20M in supporting AI-driven drug design and discovery. The dataset is available at \url{https://github.com/bz99bz/M-3}.

One Model for Two Tasks: Cooperatively Recognizing and Recovering Low-Resolution Scene Text Images by Iterative Mutual Guidance

Scene text recognition (STR) from high-resolution (HR) images has been significantly successful, however text reading on low-resolution (LR) images is still challenging due to insufficient visual information. Therefore, recently many scene text image super-resolution (STISR) models have been proposed to generate super-resolution (SR) images for the LR ones, then STR is done on the SR images, which thus boosts recognition performance. Nevertheless, these methods have two major weaknesses. On the one hand, STISR approaches may generate imperfect or even erroneous SR images, which mislead the subsequent recognition of STR models. On the other hand, as the STISR and STR models are jointly optimized, to pursue high recognition accuracy, the fidelity of SR images may be spoiled. As a result, neither the recognition performance nor the fidelity of STISR models are desirable. Then, can we achieve both high recognition performance and good fidelity? To this end, in this paper we propose a novel method called IMAGE (the abbreviation of Iterative MutuAl GuidancE) to effectively recognize and recover LR scene text images simultaneously. Concretely, IMAGE consists of a specialized STR model for recognition and a tailored STISR model to recover LR images, which are optimized separately. And we develop an iterative mutual guidance mechanism, with which the STR model provides high-level semantic information as clue to the STISR model for better super-resolution, meanwhile the STISR model offers essential low-level pixel clue to the STR model for more accurate recognition. Extensive experiments on two LR datasets demonstrate the superiority of our method over the existing works on both recognition performance and super-resolution fidelity.

CausalFormer: An Interpretable Transformer for Temporal Causal Discovery

Temporal causal discovery is a crucial task aimed at uncovering the causal relations within time series data. The latest temporal causal discovery methods usually train deep learning models on prediction tasks to uncover the causality between time series. They capture causal relations by analyzing the parameters of some components of the trained models, e.g., attention weights and convolution weights. However, this is an incomplete mapping process from the model parameters to the causality and fails to investigate the other components, e.g., fully connected layers and activation functions, that are also significant for causal discovery. To facilitate the utilization of the whole deep learning models in temporal causal discovery, we proposed an interpretable transformer-based causal discovery model termed CausalFormer, which consists of the causality-aware transformer and the decomposition-based causality detector. The causality-aware transformer learns the causal representation of time series data using a prediction task with the designed multi-kernel causal convolution which aggregates each input time series along the temporal dimension under the temporal priority constraint. Then, the decomposition-based causality detector interprets the global structure of the trained causality-aware transformer with the proposed regression relevance propagation to identify potential causal relations and finally construct the causal graph. Experiments on synthetic, simulated, and real datasets demonstrate the state-of-the-art performance of CausalFormer on discovering temporal causality. Our code is available at https://github.com/lingbai-kong/CausalFormer.

All in One: Multi-Task Prompting for Graph Neural Networks

This paper is an extended abstract of our original work published in KDD23, where we won the best research paper award (Xiangguo Sun, Hong Cheng, Jia Li, Bo Liu, and Jihong Guan. All in one: Multi-task prompting for graph neural networks. KDD 23) The paper introduces a novel approach to bridging the gap between pre-trained graph models and the diverse tasks they're applied to, inspired by the success of prompt learning in NLP. Recognizing the challenge of aligning pre-trained models with varied graph tasks (node level, edge level, and graph level), which can lead to negative transfer and poor performance, we propose a multi-task prompting method for graphs. This method involves unifying graph and language prompt formats, enabling NLP's prompting strategies to be adapted for graph tasks. By analyzing the task space of graph applications, we reformulate problems to fit graph-level tasks and apply meta-learning to improve prompt initialization for multiple tasks. Experiments show our method's effectiveness in enhancing model performance across different graph tasks. Beyond the original work, in this extended abstract, we further discuss the graph prompt from a bigger picture and provide some of the latest work toward this area.

Molecular Property Prediction Based on Graph Structure Learning

Molecular property prediction (MPP) is a fundamental but challenging task in the computer-aided drug discovery process. More and more recent works employ different graph-based models for MPP, which have made considerable progress in improving prediction performance. However, current models often ignore relationships between molecules, which could be also helpful for MPP. For this sake, in this paper we propose a graph structure learning (GSL) based MPP approach, called GSL-MPP. Specifically, we first apply graph neural network (GNN) over molecular graphs to extract molecular representations. Then, with molecular fingerprints, we construct a molecular similarity graph (MSG). Following that, we conduct graph structure learning on the MSG (i.e., molecule-level graph structure learning) to get the final molecular embeddings, which are the results of fusing both GNN encoded molecular representations and the relationships among molecules, i.e., combining both intra-molecule and inter-molecule information. Finally, we use these molecular embeddings to perform MPP. Extensive experiments on seven various benchmark datasets show that our method could achieve state-of-the-art performance in most cases, especially on classification tasks. Further visualization studies also demonstrate the good molecular representations of our method.

scRNA-seq Data Clustering by Cluster-aware Iterative Contrastive Learning

Single-cell RNA sequencing (scRNA-seq) enables researchers to analyze gene expression at single-cell level. One important task in scRNA-seq data analysis is unsupervised clustering, which helps identify distinct cell types, laying down the foundation for other downstream analysis tasks. In this paper, we propose a novel method called Cluster-aware Iterative Contrastive Learning (CICL in short) for scRNA-seq data clustering, which utilizes an iterative representation learning and clustering framework to progressively learn the clustering structure of scRNA-seq data with a cluster-aware contrastive loss. CICL consists of a Transformer encoder, a clustering head, a projection head and a contrastive loss module. First, CICL extracts the feature vectors of the original and augmented data by the Transformer encoder. Then, it computes the clustering centroids by K-means and employs the student t-distribution to assign pseudo-labels to all cells in the clustering head. The projection-head uses a Multi-Layer Perceptron (MLP) to obtain projections of the augmented data. At last, both pseudo-labels and projections are used in the contrastive loss to guide the model training. Such a process goes iteratively so that the clustering result becomes better and better. Extensive experiments on 25 real world scRNA-seq datasets show that CICL outperforms the SOTA methods. Concretely, CICL surpasses the existing methods by from 14% to 280%, and from 5% to 133% on average in terms of performance metrics ARI and NMI respectively.

A Lightweight Video Anomaly Detection Model with Weak Supervision and Adaptive Instance Selection

Video anomaly detection is to determine whether there are any abnormal events, behaviors or objects in a given video, which enables effective and intelligent public safety management. As video anomaly labeling is both time-consuming and expensive, most existing works employ unsupervised or weakly supervised learning methods. This paper focuses on weakly supervised video anomaly detection, in which the training videos are labeled whether or not they contain any anomalies, but there is no information about which frames the anomalies are located. However, the uncertainty of weakly labeled data and the large model size prevent existing methods from wide deployment in real scenarios, especially the resource-limit situations such as edge-computing. In this paper, we develop a lightweight video anomaly detection model. On the one hand, we propose an adaptive instance selection strategy, which is based on the model's current status to select confident instances, thereby mitigating the uncertainty of weakly labeled data and subsequently promoting the model's performance. On the other hand, we design a lightweight multi-level temporal correlation attention module and an hourglass-shaped fully connected layer to construct the model, which can reduce the model parameters to only 0.56\% of the existing methods (e.g. RTFM). Our extensive experiments on two public datasets UCF-Crime and ShanghaiTech show that our model can achieve comparable or even superior AUC score compared to the state-of-the-art methods, with a significantly reduced number of model parameters.