HiGraphDTI: Hierarchical Graph Representation Learning for Drug-Target Interaction Prediction

The discovery of drug-target interactions (DTIs) plays a crucial role in pharmaceutical development. The deep learning model achieves more accurate results in DTI prediction due to its ability to extract robust and expressive features from drug and target chemical structures. However, existing deep learning methods typically generate drug features via aggregating molecular atom representations, ignoring the chemical properties carried by motifs, i.e., substructures of the molecular graph. The atom-drug double-level molecular representation learning can not fully exploit structure information and fails to interpret the DTI mechanism from the motif perspective. In addition, sequential model-based target feature extraction either fuses limited contextual information or requires expensive computational resources. To tackle the above issues, we propose a hierarchical graph representation learning-based DTI prediction method (HiGraphDTI). Specifically, HiGraphDTI learns hierarchical drug representations from triple-level molecular graphs to thoroughly exploit chemical information embedded in atoms, motifs, and molecules. Then, an attentional feature fusion module incorporates information from different receptive fields to extract expressive target features.Last, the hierarchical attention mechanism identifies crucial molecular segments, which offers complementary views for interpreting interaction mechanisms. The experiment results not only demonstrate the superiority of HiGraphDTI to the state-of-the-art methods, but also confirm the practical ability of our model in interaction interpretation and new DTI discovery.

Struggle with Adversarial Defense? Try Diffusion

Adversarial attacks induce misclassification by introducing subtle perturbations. Recently, diffusion models are applied to the image classifiers to improve adversarial robustness through adversarial training or by purifying adversarial noise. However, diffusion-based adversarial training often encounters convergence challenges and high computational expenses. Additionally, diffusion-based purification inevitably causes data shift and is deemed susceptible to stronger adaptive attacks. To tackle these issues, we propose the Truth Maximization Diffusion Classifier (TMDC), a generative Bayesian classifier that builds upon pre-trained diffusion models and the Bayesian theorem. Unlike data-driven classifiers, TMDC, guided by Bayesian principles, utilizes the conditional likelihood from diffusion models to determine the class probabilities of input images, thereby insulating against the influences of data shift and the limitations of adversarial training. Moreover, to enhance TMDC's resilience against more potent adversarial attacks, we propose an optimization strategy for diffusion classifiers. This strategy involves post-training the diffusion model on perturbed datasets with ground-truth labels as conditions, guiding the diffusion model to learn the data distribution and maximizing the likelihood under the ground-truth labels. The proposed method achieves state-of-the-art performance on the CIFAR10 dataset against heavy white-box attacks and strong adaptive attacks. Specifically, TMDC achieves robust accuracies of 82.81% against $l_{\infty}$ norm-bounded perturbations and 86.05% against $l_{2}$ norm-bounded perturbations, respectively, with $\epsilon=0.05$.

Multi-Label Adaptive Batch Selection by Highlighting Hard and Imbalanced Samples

Deep neural network models have demonstrated their effectiveness in classifying multi-label data from various domains. Typically, they employ a training mode that combines mini-batches with optimizers, where each sample is randomly selected with equal probability when constructing mini-batches. However, the intrinsic class imbalance in multi-label data may bias the model towards majority labels, since samples relevant to minority labels may be underrepresented in each mini-batch. Meanwhile, during the training process, we observe that instances associated with minority labels tend to induce greater losses. Existing heuristic batch selection methods, such as priority selection of samples with high contribution to the objective function, i.e., samples with high loss, have been proven to accelerate convergence while reducing the loss and test error in single-label data. However, batch selection methods have not yet been applied and validated in multi-label data. In this study, we introduce a simple yet effective adaptive batch selection algorithm tailored to multi-label deep learning models. It adaptively selects each batch by prioritizing hard samples related to minority labels. A variant of our method also takes informative label correlations into consideration. Comprehensive experiments combining five multi-label deep learning models on thirteen benchmark datasets show that our method converges faster and performs better than random batch selection.

Multimodal Fusion with Pre-Trained Model Features in Affective Behaviour Analysis In-the-wild

Multimodal fusion is a significant method for most multimodal tasks. With the recent surge in the number of large pre-trained models, combining both multimodal fusion methods and pre-trained model features can achieve outstanding performance in many multimodal tasks. In this paper, we present our approach, which leverages both advantages for addressing the task of Expression (Expr) Recognition and Valence-Arousal (VA) Estimation. We evaluate the Aff-Wild2 database using pre-trained models, then extract the final hidden layers of the models as features. Following preprocessing and interpolation or convolution to align the extracted features, different models are employed for modal fusion. Our code is available at GitHub - FulgenceWen/ABAW6th.

GT-Rain Single Image Deraining Challenge Report

This report reviews the results of the GT-Rain challenge on single image deraining at the UG2+ workshop at CVPR 2023. The aim of this competition is to study the rainy weather phenomenon in real world scenarios, provide a novel real world rainy image dataset, and to spark innovative ideas that will further the development of single image deraining methods on real images. Submissions were trained on the GT-Rain dataset and evaluated on an extension of the dataset consisting of 15 additional scenes. Scenes in GT-Rain are comprised of real rainy image and ground truth image captured moments after the rain had stopped. 275 participants were registered in the challenge and 55 competed in the final testing phase.

Self-supervised Contrastive Learning for Implicit Collaborative Filtering

Contrastive learning-based recommendation algorithms have significantly advanced the field of self-supervised recommendation, particularly with BPR as a representative ranking prediction task that dominates implicit collaborative filtering. However, the presence of false-positive and false-negative examples in recommendation systems hampers accurate preference learning. In this study, we propose a simple self-supervised contrastive learning framework that leverages positive feature augmentation and negative label augmentation to improve the self-supervisory signal. Theoretical analysis demonstrates that our learning method is equivalent to maximizing the likelihood estimation with latent variables representing user interest centers. Additionally, we establish an efficient negative label augmentation technique that samples unlabeled examples with a probability linearly dependent on their relative ranking positions, enabling efficient augmentation in constant time complexity. Through validation on multiple datasets, we illustrate the significant improvements our method achieves over the widely used BPR optimization objective while maintaining comparable runtime.

3D-aware Image Generation and Editing with Multi-modal Conditions

3D-consistent image generation from a single 2D semantic label is an important and challenging research topic in computer graphics and computer vision. Although some related works have made great progress in this field, most of the existing methods suffer from poor disentanglement performance of shape and appearance, and lack multi-modal control. In this paper, we propose a novel end-to-end 3D-aware image generation and editing model incorporating multiple types of conditional inputs, including pure noise, text and reference image. On the one hand, we dive into the latent space of 3D Generative Adversarial Networks (GANs) and propose a novel disentanglement strategy to separate appearance features from shape features during the generation process. On the other hand, we propose a unified framework for flexible image generation and editing tasks with multi-modal conditions. Our method can generate diverse images with distinct noises, edit the attribute through a text description and conduct style transfer by giving a reference RGB image. Extensive experiments demonstrate that the proposed method outperforms alternative approaches both qualitatively and quantitatively on image generation and editing.

MiM-ISTD: Mamba-in-Mamba for Efficient Infrared Small Target Detection

Recently, infrared small target detection (ISTD) has made significant progress, thanks to the development of basic models. Specifically, the structures combining convolutional networks with transformers can successfully extract both local and global features. However, the disadvantage of the transformer is also inherited, i.e., the quadratic computational complexity to the length of the sequence. Inspired by the recent basic model with linear complexity for long-distance modeling, called Mamba, we explore the potential of this state space model for ISTD task in terms of effectiveness and efficiency in the paper. However, directly applying Mamba achieves poor performance since local features, which are critical to detecting small targets, cannot be fully exploited. Instead, we tailor a Mamba-in-Mamba (MiM-ISTD) structure for efficient ISTD. Specifically, we treat the local patches as "visual sentences" and use the Outer Mamba to explore the global information. We then decompose each visual sentence into sub-patches as "visual words" and use the Inner Mamba to further explore the local information among words in the visual sentence with negligible computational costs. By aggregating the word and sentence features, the MiM-ISTD can effectively explore both global and local information. Experiments on NUAA-SIRST and IRSTD-1k show the superior accuracy and efficiency of our method. Specifically, MiM-ISTD is $10 \times$ faster than the SOTA method and reduces GPU memory usage by 73.4$\%$ when testing on $2048 \times 2048$ image, overcoming the computation and memory constraints on high-resolution infrared images. Source code is available at https://github.com/txchen-USTC/MiM-ISTD.

Can Deception Detection Go Deeper? Dataset, Evaluation, and Benchmark for Deception Reasoning

Deception detection has attracted increasing attention due to its importance in many practical scenarios. Currently, data scarcity harms the development of this field. On the one hand, it is costly to hire participants to simulate deception scenarios. On the other hand, it is difficult to collect videos containing deceptive behaviors on the Internet. To address data scarcity, this paper proposes a new data collection pipeline. Specifically, we use GPT-4 to simulate a role-play between a suspect and a police officer. During interrogation, the suspect lies to the police officer to evade responsibility for the crime, while the police officer uncovers the truth and gathers evidence. Compared with previous datasets, this strategy reduces data collection costs, providing a promising way to increase the dataset size. Meanwhile, we extend the traditional deception detection task to deception reasoning, further providing evidence for deceptive parts. This dataset can also be used to evaluate the complex reasoning capability of current large language models and serve as a reasoning benchmark for further research.

Learning Contrastive Feature Representations for Facial Action Unit Detection

The predominant approach to facial action unit (AU) detection revolves around a supervised multi-label binary classification problem. Existing methodologies often encode pixel-level information of AUs, thereby imposing substantial demands on model complexity and expressiveness. Moreover, this practice elevates the susceptibility to overfitting due to the presence of noisy AU labels. In the present study, we introduce a contrastive learning framework enhanced by both supervised and self-supervised signals. The objective is to acquire discriminative features, deviating from the conventional pixel-level learning paradigm within the domain of AU detection. To address the challenge posed by noisy AU labels, we augment the supervised signal through the introduction of a self-supervised signal. This augmentation is achieved through positive sample sampling, encompassing three distinct types of positive sample pairs. Furthermore, to mitigate the imbalanced distribution of each AU type, we employ an importance re-weighting strategy tailored for minority AUs. The resulting loss, denoted as AUNCE, is proposed to encapsulate this strategy. Our experimental assessments, conducted on two widely-utilized benchmark datasets (BP4D and DISFA), underscore the superior performance of our approach compared to state-of-the-art methods in the realm of AU detection.