Ling Wang

Yupeng Zheng, Chengliang Zhong, Pengfei Li et al.

Self-supervised depth estimation draws a lot of attention recently as it can promote the 3D sensing capabilities of self-driving vehicles. However, it intrinsically relies upon the photometric consistency assumption, which hardly holds during nighttime. Although various supervised nighttime image enhancement methods have been proposed, their generalization performance in challenging driving scenarios is not satisfactory. To this end, we propose the first method that jointly learns a nighttime image enhancer and a depth estimator, without using ground truth for either task. Our method tightly entangles two self-supervised tasks using a newly proposed uncertain pixel masking strategy. This strategy originates from the observation that nighttime images not only suffer from underexposed regions but also from overexposed regions. By fitting a bridge-shaped curve to the illumination map distribution, both regions are suppressed and two tasks are bridged naturally. We benchmark the method on two established datasets: nuScenes and RobotCar and demonstrate state-of-the-art performance on both of them. Detailed ablations also reveal the mechanism of our proposal. Last but not least, to mitigate the problem of sparse ground truth of existing datasets, we provide a new photo-realistically enhanced nighttime dataset based upon CARLA. It brings meaningful new challenges to the community. Codes, data, and models are available at https://github.com/ucaszyp/STEPS.

Kaiwen Li, Tao Zhang, Rui Wang et al.

The unmanned aerial vehicle (UAV) plays an vital role in various applications such as delivery, military mission, disaster rescue, communication, etc., due to its flexibility and versatility. This paper proposes a deep reinforcement learning method to solve the UAV online routing problem with wireless power transfer, which can charge the UAV remotely without wires, thus extending the capability of the battery-limited UAV. Our study considers the power consumption of the UAV and the wireless charging process. Unlike the previous works, we solve the problem by a designed deep neural network. The model is trained using a deep reinforcement learning method offline, and is used to optimize the UAV routing problem online. On small and large scale instances, the proposed model runs from four times to 500 times faster than Google OR-tools, the state-of-the-art combinatorial optimization solver, with identical solution quality. It also outperforms different types of heuristic and local search methods in terms of both run-time and optimality. In addition, once the model is trained, it can scale to new generated problem instances with arbitrary topology that are not seen during training. The proposed method is practically applicable when the problem scale is large and the response time is crucial.

Hanxuan Cai, Huimin Zhang, Duancheng Zhao et al.

Deep learning is an important method for molecular design and exhibits considerable ability to predict molecular properties, including physicochemical, bioactive, and ADME/T (absorption, distribution, metabolism, excretion, and toxicity) properties. In this study, we advanced a novel deep learning architecture, termed FP-GNN, which combined and simultaneously learned information from molecular graphs and fingerprints. To evaluate the FP-GNN model, we conducted experiments on 13 public datasets, an unbiased LIT-PCBA dataset, and 14 phenotypic screening datasets for breast cell lines. Extensive evaluation results showed that compared to advanced deep learning and conventional machine learning algorithms, the FP-GNN algorithm achieved state-of-the-art performance on these datasets. In addition, we analyzed the influence of different molecular fingerprints, and the effects of molecular graphs and molecular fingerprints on the performance of the FP-GNN model. Analysis of the anti-noise ability and interpretation ability also indicated that FP-GNN was competitive in real-world situations.

Rui Wang, Zhiming Zhou, Tao Zhang et al.

Branch-and-bound is a typical way to solve combinatorial optimization problems. This paper proposes a graph pointer network model for learning the variable selection policy in the branch-and-bound. We extract the graph features, global features and historical features to represent the solver state. The proposed model, which combines the graph neural network and the pointer mechanism, can effectively map from the solver state to the branching variable decisions. The model is trained to imitate the classic strong branching expert rule by a designed top-k Kullback-Leibler divergence loss function. Experiments on a series of benchmark problems demonstrate that the proposed approach significantly outperforms the widely used expert-designed branching rules. Our approach also outperforms the state-of-the-art machine-learning-based branch-and-bound methods in terms of solving speed and search tree size on all the test instances. In addition, the model can generalize to unseen instances and scale to larger instances.

Weimin Zhu, Yi Zhang, DuanCheng Zhao et al.

Elucidating and accurately predicting the druggability and bioactivities of molecules plays a pivotal role in drug design and discovery and remains an open challenge. Recently, graph neural networks (GNN) have made remarkable advancements in graph-based molecular property prediction. However, current graph-based deep learning methods neglect the hierarchical information of molecules and the relationships between feature channels. In this study, we propose a well-designed hierarchical informative graph neural networks framework (termed HiGNN) for predicting molecular property by utilizing a co-representation learning of molecular graphs and chemically synthesizable BRICS fragments. Furthermore, a plug-and-play feature-wise attention block is first designed in HiGNN architecture to adaptively recalibrate atomic features after the message passing phase. Extensive experiments demonstrate that HiGNN achieves state-of-the-art predictive performance on many challenging drug discovery-associated benchmark datasets. In addition, we devise a molecule-fragment similarity mechanism to comprehensively investigate the interpretability of HiGNN model at the subgraph level, indicating that HiGNN as a powerful deep learning tool can help chemists and pharmacists identify the key components of molecules for designing better molecules with desired properties or functions. The source code is publicly available at https://github.com/idruglab/hignn.

Xu Zheng, Ling Wang, Kanghao Chen et al.

Recently, electroencephalography (EEG) signals have been actively incorporated to decode brain activity to visual or textual stimuli and achieve object recognition in multi-modal AI. Accordingly, endeavors have been focused on building EEG-based datasets from visual or textual single-modal stimuli. However, these datasets offer limited EEG epochs per category, and the complex semantics of stimuli presented to participants compromise their quality and fidelity in capturing precise brain activity. The study in neuroscience unveils that the relationship between visual and textual stimulus in EEG recordings provides valuable insights into the brain's ability to process and integrate multi-modal information simultaneously. Inspired by this, we propose a novel large-scale multi-modal dataset, named EIT-1M, with over 1 million EEG-image-text pairs. Our dataset is superior in its capacity of reflecting brain activities in simultaneously processing multi-modal information. To achieve this, we collected data pairs while participants viewed alternating sequences of visual-textual stimuli from 60K natural images and category-specific texts. Common semantic categories are also included to elicit better reactions from participants' brains. Meanwhile, response-based stimulus timing and repetition across blocks and sessions are included to ensure data diversity. To verify the effectiveness of EIT-1M, we provide an in-depth analysis of EEG data captured from multi-modal stimuli across different categories and participants, along with data quality scores for transparency. We demonstrate its validity on two tasks: 1) EEG recognition from visual or textual stimuli or both and 2) EEG-to-visual generation.

Shunming Tao, Yihao Chen, Jingxing Wu et al.

Virus infection is one of the major diseases that seriously threaten human health. To meet the growing demand for mining and sharing data resources related to antiviral drugs and to accelerate the design and discovery of new antiviral drugs, we presented an open-access antiviral drug resource and machine learning platform (VDDB), which, to the best of our knowledge, is the first comprehensive dedicated resource for experimentally verified potential drugs/molecules based on manually curated data. Currently, VDDB highlights 848 clinical vaccines, 199 clinical antibodies, as well as over 710,000 small molecules targeting 39 medically important viruses including SARS-CoV-2. Furthermore, VDDB stores approximately 3 million records of pharmacological data for these collected potential antiviral drugs/molecules, involving 314 cell infection-based phenotypic and 234 target-based genotypic assays. Based on these annotated pharmacological data, VDDB allows users to browse, search and download reliable information about these collects for various viruses of interest. In particular, VDDB also integrates 57 cell infection- and 117 target-based associated high-accuracy machine learning models to support various antivirals identification-related tasks, such as compound activity prediction, virtual screening, drug repositioning and target fishing. VDDB is freely accessible at http://vddb.idruglab.cn.

Ling Wang, Chen Wu, Lin Wang

Can we directly visualize what we imagine in our brain together with what we describe? The inherent nature of human perception reveals that, when we think, our body can combine language description and build a vivid picture in our brain. Intuitively, generative models should also hold such versatility. In this paper, we introduce BrainDreamer, a novel end-to-end language-guided generative framework that can mimic human reasoning and generate high-quality images from electroencephalogram (EEG) brain signals. Our method is superior in its capacity to eliminate the noise introduced by non-invasive EEG data acquisition and meanwhile achieve a more precise mapping between the EEG and image modality, thus leading to significantly better-generated images. Specifically, BrainDreamer consists of two key learning stages: 1) modality alignment and 2) image generation. In the alignment stage, we propose a novel mask-based triple contrastive learning strategy to effectively align EEG, text, and image embeddings to learn a unified representation. In the generation stage, we inject the EEG embeddings into the pre-trained Stable Diffusion model by designing a learnable EEG adapter to generate high-quality reasoning-coherent images. Moreover, BrainDreamer can accept textual descriptions (e.g., color, position, etc.) to achieve controllable image generation. Extensive experiments show that our method significantly outperforms prior arts in terms of generating quality and quantitative performance.

Ling Wang, Chen Wu, Lin Wang

Autonomous vehicles and robots often struggle with reliable visual perception at night due to the low illumination and motion blur caused by the long exposure time of RGB cameras. Existing methods address this challenge by sequentially connecting the off-the-shelf pretrained low-light enhancement and deblurring models. Unfortunately, these methods often lead to noticeable artifacts (\eg, color distortions) in the over-exposed regions or make it hardly possible to learn the motion cues of the dark regions. In this paper, we interestingly find vision-language models, \eg, Contrastive Language-Image Pretraining (CLIP), can comprehensively perceive diverse degradation levels at night. In light of this, we propose a novel transformer-based joint learning framework, named DAP-LED, which can jointly achieve low-light enhancement and deblurring, benefiting downstream tasks, such as depth estimation, segmentation, and detection in the dark. The key insight is to leverage CLIP to adaptively learn the degradation levels from images at night. This subtly enables learning rich semantic information and visual representation for optimization of the joint tasks. To achieve this, we first introduce a CLIP-guided cross-fusion module to obtain multi-scale patch-wise degradation heatmaps from the image embeddings. Then, the heatmaps are fused via the designed CLIP-enhanced transformer blocks to retain useful degradation information for effective model optimization. Experimental results show that, compared to existing methods, our DAP-LED achieves state-of-the-art performance in the dark. Meanwhile, the enhanced results are demonstrated to be effective for three downstream tasks. For demo and more results, please check the project page: \url{https://vlislab22.github.io/dap-led/}.

Fei Ming, Wenyin Gong, Ling Wang et al.

Solving constrained multi-objective optimization problems with evolutionary algorithms has attracted considerable attention. Various constrained multi-objective optimization evolutionary algorithms (CMOEAs) have been developed with the use of different algorithmic strategies, evolutionary operators, and constraint-handling techniques. The performance of CMOEAs may be heavily dependent on the operators used, however, it is usually difficult to select suitable operators for the problem at hand. Hence, improving operator selection is promising and necessary for CMOEAs. This work proposes an online operator selection framework assisted by Deep Reinforcement Learning. The dynamics of the population, including convergence, diversity, and feasibility, are regarded as the state; the candidate operators are considered as actions; and the improvement of the population state is treated as the reward. By using a Q-Network to learn a policy to estimate the Q-values of all actions, the proposed approach can adaptively select an operator that maximizes the improvement of the population according to the current state and thereby improve the algorithmic performance. The framework is embedded into four popular CMOEAs and assessed on 42 benchmark problems. The experimental results reveal that the proposed Deep Reinforcement Learning-assisted operator selection significantly improves the performance of these CMOEAs and the resulting algorithm obtains better versatility compared to nine state-of-the-art CMOEAs.

Yang Chen, Jingcai Guo, Tian He et al.

Skeleton-based zero-shot action recognition aims to recognize unknown human actions based on the learned priors of the known skeleton-based actions and a semantic descriptor space shared by both known and unknown categories. However, previous works focus on establishing the bridges between the known skeleton representation space and semantic descriptions space at the coarse-grained level for recognizing unknown action categories, ignoring the fine-grained alignment of these two spaces, resulting in suboptimal performance in distinguishing high-similarity action categories. To address these challenges, we propose a novel method via Side information and dual-prompts learning for skeleton-based zero-shot action recognition (STAR) at the fine-grained level. Specifically, 1) we decompose the skeleton into several parts based on its topology structure and introduce the side information concerning multi-part descriptions of human body movements for alignment between the skeleton and the semantic space at the fine-grained level; 2) we design the visual-attribute and semantic-part prompts to improve the intra-class compactness within the skeleton space and inter-class separability within the semantic space, respectively, to distinguish the high-similarity actions. Extensive experiments show that our method achieves state-of-the-art performance in ZSL and GZSL settings on NTU RGB+D, NTU RGB+D 120, and PKU-MMD datasets.

Tianheng Zhu, Ling Wang, Yiheng Feng et al.

Previous studies in predicting crash risks primarily associated the number or likelihood of crashes on a road segment with traffic parameters or geometric characteristics, usually neglecting the impact of vehicles' continuous movement and interactions with nearby vehicles. Recent technology advances, such as Connected and Automated Vehicles (CAVs) and Unmanned Aerial Vehicles (UAVs) are able to collect high-resolution trajectory data, which enables trajectory-based risk analysis. This study investigates a new vehicle group (VG) based risk analysis method and explores risk evolution mechanisms considering VG features. An impact-based vehicle grouping method is proposed to cluster vehicles into VGs by evaluating their responses to the erratic behaviors of nearby vehicles. The risk of a VG is aggregated based on the risk between each vehicle pair in the VG, measured by inverse Time-to-Collision (iTTC). A Logistic Regression and a Graph Neural Network (GNN) are then employed to predict VG risks using aggregated and disaggregated VG information. Both methods achieve excellent performance with AUC values exceeding 0.93. For the GNN model, GNNExplainer with feature perturbation is applied to identify critical individual vehicle features and their directional impact on VG risks. Overall, this research contributes a new perspective for identifying, predicting, and interpreting traffic risks.

Wenfang Sun, Yingjun Du, Xiantong Zhen et al.

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.

Liang Zeng, Lei Wang, Hui Niu et al.

Price movement forecasting, aimed at predicting financial asset trends based on current market information, has achieved promising advancements through machine learning (ML) methods. Most existing ML methods, however, struggle with the extremely low signal-to-noise ratio and stochastic nature of financial data, often mistaking noises for real trading signals without careful selection of potentially profitable samples. To address this issue, we propose LARA, a novel price movement forecasting framework with two main components: Locality-Aware Attention (LA-Attention) and Iterative Refinement Labeling (RA-Labeling). (1) LA-Attention, enhanced by metric learning techniques, automatically extracts the potentially profitable samples through masked attention scheme and task-specific distance metrics. (2) RA-Labeling further iteratively refines the noisy labels of potentially profitable samples, and combines the learned predictors robust to the unseen and noisy samples. In a set of experiments on three real-world financial markets: stocks, cryptocurrencies, and ETFs, LARA significantly outperforms several machine learning based methods on the Qlib quantitative investment platform. Extensive ablation studies confirm LARA's superior ability in capturing more reliable trading opportunities.

Yu-Jun Zheng, Xin Chen, Tie-Er Gan et al.

Balancing common disease treatment and epidemic control is a key objective of medical supplies procurement in hospitals during a pandemic such as COVID-19. This problem can be formulated as a bi-objective optimization problem for simultaneously optimizing the effects of common disease treatment and epidemic control. However, due to the large number of supplies, difficulties in evaluating the effects, and the strict budget constraint, it is difficult for existing evolutionary multiobjective algorithms to efficiently approximate the Pareto front of the problem. In this paper, we present an approach that first transforms the original high-dimensional, constrained multiobjective optimization problem to a low-dimensional, unconstrained multiobjective optimization problem, and then evaluates each solution to the transformed problem by solving a set of simple single-objective optimization subproblems, such that the problem can be efficiently solved by existing evolutionary multiobjective algorithms. We applied the transform-and-divide evolutionary optimization approach to six hospitals in Zhejiang Province, China, during the peak of COVID-19. Results showed that the proposed approach exhibits significantly better performance than that of directly solving the original problem. Our study has also shown that transform-and-divide evolutionary optimization based on problem-specific knowledge can be an efficient solution approach to many other complex problems and, therefore, enlarge the application field of evolutionary algorithms.

Tong Lin, Hanlin Xue, Ling Wang et al.

In recent years, total variation (TV) and Euler's elastica (EE) have been successfully applied to image processing tasks such as denoising and inpainting. This paper investigates how to extend TV and EE to the supervised learning settings on high dimensional data. The supervised learning problem can be formulated as an energy functional minimization under Tikhonov regularization scheme, where the energy is composed of a squared loss and a total variation smoothing (or Euler's elastica smoothing). Its solution via variational principles leads to an Euler-Lagrange PDE. However, the PDE is always high-dimensional and cannot be directly solved by common methods. Instead, radial basis functions are utilized to approximate the target function, reducing the problem to finding the linear coefficients of basis functions. We apply the proposed methods to supervised learning tasks (including binary classification, multi-class classification, and regression) on benchmark data sets. Extensive experiments have demonstrated promising results of the proposed methods.