Since open social platforms allow for a large and continuous flow of unverified information, rumors can emerge unexpectedly and spread quickly. However, existing rumor detection (RD) models often assume the same training and testing distributions and cannot cope with the continuously changing social network environment. This paper proposes a Continual Prompt-Tuning RD (CPT-RD) framework, which avoids catastrophic forgetting of upstream tasks during sequential task learning and enables knowledge transfer between domain tasks. To avoid forgetting, we optimize and store task-special soft-prompt for each domain. Furthermore, we also propose several strategies to transfer knowledge of upstream tasks to deal with emergencies and a task-conditioned prompt-wise hypernetwork (TPHNet) to consolidate past domains, enabling bidirectional knowledge transfer. Finally, CPT-RD is evaluated on English and Chinese RD datasets and is effective and efficient compared to state-of-the-art baselines, without data replay techniques and with only a few parameter tuning.
Early exiting allows instances to exit at different layers according to the estimation of difficulty. Previous works usually adopt heuristic metrics such as the entropy of internal outputs to measure instance difficulty, which suffers from generalization and threshold-tuning. In contrast, learning to exit, or learning to predict instance difficulty is a more appealing way. Though some effort has been devoted to employing such "learn-to-exit" modules, it is still unknown whether and how well the instance difficulty can be learned. As a response, we first conduct experiments on the learnability of instance difficulty, which demonstrates that modern neural models perform poorly on predicting instance difficulty. Based on this observation, we propose a simple-yet-effective Hash-based Early Exiting approach (HashEE) that replaces the learn-to-exit modules with hash functions to assign each token to a fixed exiting layer. Different from previous methods, HashEE requires no internal classifiers nor extra parameters, and therefore is more efficient. Experimental results on classification, regression, and generation tasks demonstrate that HashEE can achieve higher performance with fewer FLOPs and inference time compared with previous state-of-the-art early exiting methods.
Generative adversarial networks (GANs), a class of distribution-learning methods based on a two-player game between a generator and a discriminator, can generally be formulated as a minmax problem based on the variational representation of a divergence between the unknown and the generated distributions. We introduce structure-preserving GANs as a data-efficient framework for learning distributions with additional structure such as group symmetry, by developing new variational representations for divergences. Our theory shows that we can reduce the discriminator space to its projection on the invariant discriminator space, using the conditional expectation with respect to the $\sigma$-algebra associated to the underlying structure. In addition, we prove that the discriminator space reduction must be accompanied by a careful design of structured generators, as flawed designs may easily lead to a catastrophic "mode collapse" of the learned distribution. We contextualize our framework by building symmetry-preserving GANs for distributions with intrinsic group symmetry, and demonstrate that both players, namely the equivariant generator and invariant discriminator, play important but distinct roles in the learning process. Empirical experiments and ablation studies across a broad range of data sets, including real-world medical imaging, validate our theory, and show our proposed methods achieve significantly improved sample fidelity and diversity -- almost an order of magnitude measured in Fr\'echet Inception Distance -- especially in the small data regime.
The AlphaFold computer program predicted protein structures for the whole human genome, which has been considered as a remarkable breakthrough both in artificial intelligence (AI) application and structural biology. Despite the varying confidence level, these predicted structures still could significantly contribute to the structure-based drug design of novel targets, especially the ones with no or limited structural information. In this work, we successfully applied AlphaFold in our end-to-end AI-powered drug discovery engines constituted of a biocomputational platform PandaOmics and a generative chemistry platform Chemistry42, to identify a first-in-class hit molecule of a novel target without an experimental structure starting from target selection towards hit identification in a cost- and time-efficient manner. PandaOmics provided the targets of interest and Chemistry42 generated the molecules based on the AlphaFold predicted structure, and the selected molecules were synthesized and tested in biological assays. Through this approach, we identified a small molecule hit compound for CDK20 with a Kd value of 8.9 +/- 1.6 uM (n = 4) within 30 days from target selection and after only synthesizing 7 compounds. To the best of our knowledge, this is the first reported small molecule targeting CDK20 and more importantly, this work is the first demonstration of AlphaFold application in the hit identification process in early drug discovery.
Incorporating group symmetry directly into the learning process has proved to be an effective guideline for model design. By producing features that are guaranteed to transform covariantly to the group actions on the inputs, group-equivariant convolutional neural networks (G-CNNs) achieve significantly improved generalization performance in learning tasks with intrinsic symmetry. General theory and practical implementation of G-CNNs have been studied for planar images under either rotation or scaling transformation, but only individually. We present, in this paper, a roto-scale-translation equivariant CNN (RST-CNN), that is guaranteed to achieve equivariance jointly over these three groups via coupled group convolutions. Moreover, as symmetry transformations in reality are rarely perfect and typically subject to input deformation, we provide a stability analysis of the equivariance of representation to input distortion, which motivates the truncated expansion of the convolutional filters under (pre-fixed) low-frequency spatial modes. The resulting model provably achieves deformation-robust RST equivariance, i.e., the RST symmetry is still "approximately" preserved when the transformation is "contaminated" by a nuisance data deformation, a property that is especially important for out-of-distribution generalization. Numerical experiments on MNIST, Fashion-MNIST, and STL-10 demonstrate that the proposed model yields remarkable gains over prior arts, especially in the small data regime where both rotation and scaling variations are present within the data.
Vehicle mobility optimization in urban areas is a long-standing problem in smart city and spatial data analysis. Given the complex urban scenario and unpredictable social events, our work focuses on developing a mobile sequential recommendation system to maximize the profitability of vehicle service providers (e.g., taxi drivers). In particular, we treat the dynamic route optimization problem as a long-term sequential decision-making task. A reinforcement-learning framework is proposed to tackle this problem, by integrating a self-check mechanism and a deep neural network for customer pick-up point monitoring. To account for unexpected situations (e.g., the COVID-19 outbreak), our method is designed to be capable of handling related environment changes with a self-adaptive parameter determination mechanism. Based on the yellow taxi data in New York City and vicinity before and after the COVID-19 outbreak, we have conducted comprehensive experiments to evaluate the effectiveness of our method. The results show consistently excellent performance, from hourly to weekly measures, to support the superiority of our method over the state-of-the-art methods (i.e., with more than 98% improvement in terms of the profitability for taxi drivers).
Visual sentiment analysis has received increasing attention in recent years. However, the quality of the dataset is a concern because the sentiment labels are crowd-sourcing, subjective, and prone to mistakes. This poses a severe threat to the data-driven models including the deep neural networks which would generalize poorly on the testing cases if they are trained to over-fit the samples with noisy sentiment labels. Inspired by the recent progress on learning with noisy labels, we propose a robust learning method to perform robust visual sentiment analysis. Our method relies on an external memory to aggregate and filter noisy labels during training and thus can prevent the model from overfitting the noisy cases. The memory is composed of the prototypes with corresponding labels, both of which can be updated online. We establish a benchmark for visual sentiment analysis with label noise using publicly available datasets. The experiment results of the proposed benchmark settings comprehensively show the effectiveness of our method.
Chemistry research has both high material and computational costs to conduct experiments. Institutions thus consider chemical data to be valuable and there have been few efforts to construct large public datasets for machine learning. Another challenge is that different intuitions are interested in different classes of molecules, creating heterogeneous data that cannot be easily joined by conventional distributed training. In this work, we introduce federated heterogeneous molecular learning to address these challenges. Federated learning allows end-users to build a global model collaboratively while preserving the training data distributed over isolated clients. Due to the lack of related research, we first simulate a federated heterogeneous benchmark called FedChem. FedChem is constructed by jointly performing scaffold splitting and Latent Dirichlet Allocation on existing datasets. Our results on FedChem show that significant learning challenges arise when working with heterogeneous molecules. We then propose a method to alleviate the problem, namely Federated Learning by Instance reweighTing (FLIT). FLIT can align the local training across heterogeneous clients by improving the performance for uncertain samples. Comprehensive experiments conducted on our new benchmark FedChem validate the advantages of this method over other federated learning schemes. FedChem should enable a new type of collaboration for improving AI in chemistry that mitigates concerns about valuable chemical data.
Deep learning algorithms mine knowledge from the training data and thus would likely inherit the dataset's bias information. As a result, the obtained model would generalize poorly and even mislead the decision process in real-life applications. We propose to remove the bias information misused by the target task with a cross-sample adversarial debiasing (CSAD) method. CSAD explicitly extracts target and bias features disentangled from the latent representation generated by a feature extractor and then learns to discover and remove the correlation between the target and bias features. The correlation measurement plays a critical role in adversarial debiasing and is conducted by a cross-sample neural mutual information estimator. Moreover, we propose joint content and local structural representation learning to boost mutual information estimation for better performance. We conduct thorough experiments on publicly available datasets to validate the advantages of the proposed method over state-of-the-art approaches.