AAAI 2024 论文列表

Identifying novel drug-drug interactions (DDIs) is a crucial task in pharmacology, as the interference between pharmacological substances can pose serious medical risks. In recent years, several network-based techniques have emerged for predicting DDIs. However, they primarily focus on local structures within DDI-related networks, often overlooking the significance of indirect connections between pairwise drug nodes from a global perspective. Additionally, effectively handling heterogeneous information present in both biomedical knowledge graphs and drug molecular graphs remains a challenge for improved performance of DDI prediction. To address these limitations, we propose a Transformer-based relatIon-aware Graph rEpresentation leaRning framework (TIGER) for DDI prediction. TIGER leverages the Transformer architecture to effectively exploit the structure of heterogeneous graph, which allows it direct learning of long dependencies and high-order structures. Furthermore, TIGER incorporates a relation-aware self-attention mechanism, capturing a diverse range of semantic relations that exist between pairs of nodes in heterogeneous graph. In addition to these advancements, TIGER enhances predictive accuracy by modeling DDI prediction task using a dual-channel network, where drug molecular graph and biomedical knowledge graph are fed into two respective channels. By incorporating embeddings obtained at graph and node levels, TIGER can benefit from structural properties of drugs as well as rich contextual information provided by biomedical knowledge graph. Extensive experiments conducted on three real-world datasets demonstrate the effectiveness of TIGER in DDI prediction. Furthermore, case studies highlight its ability to provide a deeper understanding of underlying mechanisms of DDIs.

Cross-modal hashing~(CMH) is an efficient technique to retrieve relevant data across different modalities, such as images, texts, and videos, which has attracted more and more attention due to its low storage cost and fast query speed. Although existing CMH methods achieve remarkable processes, almost all of them treat all samples of varying difficulty levels without discrimination, thus leaving them vulnerable to noise or outliers. Based on this observation, we reveal and study dual difficulty levels implied in cross-modal hashing learning, \ie instance-level and feature-level difficulty. To address this problem, we propose a novel Dual Self-Paced Cross-Modal Hashing (DSCMH) that mimics human cognitive learning to learn hashing from ``easy'' to ``hard'' in both instance and feature levels, thereby embracing robustness against noise/outliers. Specifically, our DSCMH assigns weights to each instance and feature to measure their difficulty or reliability, and then uses these weights to automatically filter out the noisy and irrelevant data points in the original space. By gradually increasing the weights during training, our method can focus on more instances and features from ``easy'' to ``hard'' in training, thus mitigating the adverse effects of noise or outliers. Extensive experiments are conducted on three widely-used benchmark datasets to demonstrate the effectiveness and robustness of the proposed DSCMH over 12 state-of-the-art CMH methods.

3D-aware GANs successfully solve the problem of 3D-consistency generation and furthermore provide a 3D shape of the generated object. However, the application of the volume renderer disturbs the disentanglement of the latent space, which makes it difficult to manipulate 3D-aware GANs and lowers the image quality of style-based generators. In this work, we devise a dual-mapping framework to make the generated images of pretrained 2D StyleGAN consistent in 3D space. We utilize a tri-plane representation to estimate the 3D shape of the generated object and two mapping networks to bridge the latent space of StyleGAN and the 3D tri-plane space. Our method does not alter the parameters of the pretrained generator, which means the interpretability of latent space is preserved for various image manipulations. Experiments show that our method lifts the 3D awareness of pretrained 2D StyleGAN to 3D-aware GANs and outperforms the 3D-aware GANs in controllability and image quality.

Recent progresses in large-scale text-to-image models have yielded remarkable accomplishments, finding various applications in art domain. However, expressing unique characteristics of an artwork (e.g. brushwork, colortone, or composition) with text prompts alone may encounter limitations due to the inherent constraints of verbal description. To this end, we introduce DreamStyle, a novel framework designed for artistic image synthesis, proficient in both text-to-image synthesis and style transfer. DreamStyle optimizes a multi-stage textual embedding with a context-aware text prompt, resulting in prominent image quality. In addition, with content and style guidance, DreamStyle exhibits flexibility to accommodate a range of style references. Experimental results demonstrate its superior performance across multiple scenarios, suggesting its promising potential in artistic product creation. Project page: https://nmhkahn.github.io/dreamstyler/

While large-scale pre-trained text-to-image models can synthesize diverse and high-quality human-centric images, an intractable problem is how to preserve the face identity and follow the text prompts simultaneously for conditioned input face images and texts. Despite existing encoder-based methods achieving high efficiency and decent face similarity, the generated image often fails to follow the textual prompts. To ease this editability issue, we present DreamIdentity, to learn edit-friendly and accurate face-identity representations in the word embedding space. Specifically, we propose self-augmented editability learning to enhance the editability for projected embedding, which is achieved by constructing paired generated celebrity's face and edited celebrity images for training, aiming at transferring mature editability of off-the-shelf text-to-image models in celebrity to unseen identities. Furthermore, we design a novel dedicated face-identity encoder to learn an accurate representation of human faces, which applies multi-scale ID-aware features followed by a multi-embedding projector to generate the pseudo words in the text embedding space directly. Extensive experiments show that our method can generate more text-coherent and ID-preserved images with negligible time overhead compared to the standard text-to-image generation process.

The combination of electronic health records (EHR) and medical images is crucial for clinicians in making diagnoses and forecasting prognoses. Strategically fusing these two data modalities has great potential to improve the accuracy of machine learning models in clinical prediction tasks. However, the asynchronous and complementary nature of EHR and medical images presents unique challenges. Missing modalities due to clinical and administrative factors are inevitable in practice, and the significance of each data modality varies depending on the patient and the prediction target, resulting in inconsistent predictions and suboptimal model performance. To address these challenges, we propose DrFuse to achieve effective clinical multi-modal fusion. It tackles the missing modality issue by disentangling the features shared across modalities and those unique within each modality. Furthermore, we address the modal inconsistency issue via a disease-wise attention layer that produces the patient- and disease-wise weighting for each modality to make the final prediction. We validate the proposed method using real-world large-scale datasets, MIMIC-IV and MIMIC-CXR. Experimental results show that the proposed method significantly outperforms the state-of-the-art models.

Artificial Intelligence (AI) is permeating almost every area of society, reshaping how many people, including youth, navigate the world. Despite the increased presence of AI, most people lack a baseline knowledge of how AI works. Moreover, social barriers often hinder equal access to AI courses, perpetuating disparities in participation in the field. To address this, it is crucial to design AI curricula that are effective, inclusive, and relevant, especially to learners from backgrounds that are historically excluded from working in tech. In this paper, we present AI for Wellbeing, a curriculum where students explore conversational AI and the ethical considerations around using it to promote wellbeing. We specifically designed content, educator materials, and educational technologies to meet the interests and needs of students and educators from diverse backgrounds. We piloted AI for Wellbeing in a 5-day virtual workshop with middle school teachers and students. Then, using a mixed-methods approach, we analyzed students' work and teachers' feedback. Our results suggest that the curriculum content and design effectively engaged students, enabling them to implement meaningful AI projects for wellbeing. We hope that the design of this curriculum and insights from our evaluation will inspire future efforts to create culturally relevant K-12 AI curricula.

Task-free online continual learning (TF-CL) is a challenging problem where the model incrementally learns tasks without explicit task information. Although training with entire data from the past, present as well as future is considered as the gold standard, naive approaches in TF-CL with the current samples may be conflicted with learning with samples in the future, leading to catastrophic forgetting and poor plasticity. Thus, a proactive consideration of an unseen future sample in TF-CL becomes imperative. Motivated by this intuition, we propose a novel TF-CL framework considering future samples and show that injecting adversarial perturbations on both input data and decision-making is effective. Then, we propose a novel method named Doubly Perturbed Continual Learning (DPCL) to efficiently implement these input and decision-making perturbations. Specifically, for input perturbation, we propose an approximate perturbation method that injects noise into the input data as well as the feature vector and then interpolates the two perturbed samples. For decision-making process perturbation, we devise multiple stochastic classifiers. We also investigate a memory management scheme and learning rate scheduling reflecting our proposed double perturbations. We demonstrate that our proposed method outperforms the state-of-the-art baseline methods by large margins on various TF-CL benchmarks.

Multi-view multi-label feature selection aims to select informative features where the data are collected from multiple sources with multiple interdependent class labels. For fully exploiting multi-view information, most prior works mainly focus on the common part in the ideal circumstance. However, the inconsistent part hidden in each view, including noises and specific elements, may affect the quality of mapping between labels and feature representations. Meanwhile, ignoring the specific part might lead to a suboptimal result, as each label is supposed to possess specific characteristics of its own. To deal with the double problems in multi-view multi-label feature selection, we propose a unified loss function which is a totally splitting structure for observed labels as hybrid labels that is, common labels, view-to-all specific labels and noisy labels, and the view-to-all specific labels further splits into several specific labels of each view. The proposed method simultaneously considers the consistency and complementarity of different views. Through exploring the feature weights of hybrid labels, the mapping relationships between labels and features can be established sequentially based on their attributes. Additionally, the interrelatedness among hybrid labels is also investigated and injected into the function. Specific to the specific labels of each view, we construct the novel regularization paradigm incorporating logic operations. Finally, the convergence of the result is proved after applying the multiplicative update rules. Experiments on six datasets demonstrate the effectiveness and superiority of our method compared with the state-of-the-art methods.

Double-descent curves in neural networks describe the phenomenon that the generalisation error initially descends with increasing parameters, then grows after reaching an optimal number of parameters which is less than the number of data points, but then descends again in the overparameterized regime. In this paper, we use techniques from random matrix theory to characterize the spectral distribution of the empirical feature covariance matrix as a width-dependent perturbation of the spectrum of the neural network Gaussian process (NNGP) kernel, thus establishing a novel connection between the NNGP literature and the random matrix theory literature in the context of neural networks. Our analytical expressions allow us to explore the generalisation behavior of the corresponding kernel and GP regression. Furthermore, they offer a new interpretation of double-descent in terms of the discrepancy between the width-dependent empirical kernel and the width-independent NNGP kernel.

Optimal transport (OT) is attracting increasing attention in machine learning. It aims to transport a source distribution to a target one at minimal cost. In its vanilla form, the source and target distributions are predetermined, which contracts to the real-world case involving undetermined targets. In this paper, we propose Doubly Bounded Optimal Transport (DB-OT), which assumes that the target distribution is restricted within two boundaries instead of a fixed one, thus giving more freedom for the transport to find solutions. Based on the entropic regularization of DB-OT, three scaling-based algorithms are devised for calculating the optimal solution. We also show that our DB-OT is helpful for barycenter-based clustering, which can avoid the excessive concentration of samples in a single cluster. Then we further develop DB-OT techniques for long-tailed classification which is an emerging and open problem. We first propose a connection between OT and classification, that is, in the classification task, training involves optimizing the Inverse OT to learn the representations, while testing involves optimizing the OT for predictions. with this OT perspective, we first apply DB-OT to improve the loss, and the Balanced Softmax is shown as a special case. Then we apply DB-OT for inference in the testing process. Even with vanilla Softmax trained features, our experiments show that our method can achieve good results with our improved inference scheme in the testing stage.

CEM-TD3 is a combination scheme using the simple cross-entropy method (CEM) and Twin Delayed Deep Deterministic policy gradient (TD3), and it achieves a satisfactory trade-off between performance and sample efficiency. However, we find that CEM-TD3 cannot fully address the low efficiency of policy search caused by CEM, and the policy gradient learning introduced by TD3 will weaken the diversity of individuals in the population. In this paper, we propose Double Buffers CEM-TD3 (DBCEM-TD3) that optimizes both CEM and TD3. For CEM, DBCEM-TD3 maintains an actor buffer to store the population required for evolution. In each iteration, it only needs to generate a small number of actors to replace the poor actors in the policy buffer to achieve more efficient evolution. The fitness of individuals in the actor buffer decreases exponentially with time, which can avoid premature convergence of the mean actor. For TD3, DBCEM-TD3 maintains a critic buffer with the same number of critics as the number of actors generated in each iteration, and each critic is trained independently by sampling from the shared replay buffer. In each iteration, each newly generated actor uses different critics to guide learning. This ensures more diverse behaviors among the learned actors, enabling richer experiences to be collected during the evaluation phase. We conduct experimental evaluations on five continuous control tasks provided by OpenAI Gym. DBCEM-TD3 outperforms CEM-TD3, TD3, and other classic off-policy reinforcement learning algorithms in terms of performance and sample efficiency.

Mechanism design on social networks has attracted extensive attention recently. The goal is to design mechanisms to incentivize participants to invite more participants via their social networks, and the challenge is that the participants are competitors. Various mechanisms have been proposed for single-/multiple-unit auctions, but it has been shown that it is challenging to design such mechanisms for more complex settings. We move this forward to investigate a double auction on a network where each trader (a buyer or a seller) can link to other buyers and sellers. Incentiving invitation is more difficult than in multi-unit one-sided auctions, because there are two different roles and a buyer (seller) seems happy to invite a seller (buyer), but again the invited seller (buyer) may invite another buyer (seller) to compete with the original buyer (seller). To combat this, we propose a solution called dynamic trade reduction (DTR), which also guarantees a non-negative revenue for the market owner. Interestingly, our solution is also applicable to the multi-unit one-sided auction when there is only one seller linking to only buyers on the network. We believe that the principle of our solution has the potential to be extended to design the multi-item one-sided auction.

Multi-Domain Face Anti-Spoofing (MD-FAS) is a practical setting that aims to update models on new domains using only novel data while ensuring that the knowledge acquired from previous domains is not forgotten. Prior methods utilize the responses from models to represent the previous domain knowledge or map the different domains into separated feature spaces to prevent forgetting. However, due to domain gaps, the responses of new data are not as accurate as those of previous data. Also, without the supervision of previous data, separated feature spaces might be destroyed by new domains while updating, leading to catastrophic forgetting. Inspired by the challenges posed by the lack of previous data, we solve this issue from a new standpoint that generates hallucinated previous data for updating FAS model. To this end, we propose a novel Domain-Hallucinated Updating (DHU) framework to facilitate the hallucination of data. Specifically, Domain Information Explorer learns representative domain information of the previous domains. Then, Domain Information Hallucination module transfers the new domain data to pseudo-previous domain ones. Moreover, Hallucinated Features Joint Learning module is proposed to asymmetrically align the new and pseudo-previous data for real samples via dual levels to learn more generalized features, promoting the results on all domains. Our experimental results and visualizations demonstrate that the proposed method outperforms state-of-the-art competitors in terms of effectiveness.

Large pre-trained vision-language models, such as CLIP, have shown remarkable generalization capabilities across various tasks when appropriate text prompts are provided. However, adapting these models to specific domains, like remote sensing images (RSIs), medical images, etc, remains unexplored and challenging. Existing prompt learning methods often lack domain-awareness or domain-transfer mechanisms, leading to suboptimal performance due to the misinterpretation of specific images in natural image patterns. To tackle this dilemma, we proposed a Domain-Controlled Prompt Learning for the specific domains. Specifically, the large-scale specific domain foundation model (LSDM) is first introduced to provide essential specific domain knowledge. Using lightweight neural networks, we transfer this knowledge into domain biases, which control both the visual and language branches to obtain domain-adaptive prompts in a directly incorporating manner. Simultaneously, to overcome the existing overfitting challenge, we propose a novel noisy-adding strategy, without extra trainable parameters, to help the model escape the suboptimal solution in a global domain oscillation manner. Experimental results show our method achieves state-of-the-art performance in specific domain image recognition datasets. Our code is available at https://github.com/caoql98/DCPL.

Fine-tuning pre-trained neural network models has become a widely adopted approach across various domains. However, it can lead to the distortion of pre-trained feature extractors that already possess strong generalization capabilities. Mitigating feature distortion during adaptation to new target domains is crucial. Recent studies have shown promising results in handling feature distortion by aligning the head layer on in-distribution datasets before performing fine-tuning. Nonetheless, a significant limitation arises from the treatment of batch normalization layers during fine-tuning, leading to suboptimal performance. In this paper, we propose Domain-Aware Fine-Tuning (DAFT), a novel approach that incorporates batch normalization conversion and the integration of linear probing and fine-tuning. Our batch normalization conversion method effectively mitigates feature distortion by reducing modifications to the neural network during fine-tuning. Additionally, we introduce the integration of linear probing and fine-tuning to optimize the head layer with gradual adaptation of the feature extractor. By leveraging batch normalization layers and integrating linear probing and fine-tuning, our DAFT significantly mitigates feature distortion and achieves improved model performance on both in-distribution and out-of-distribution datasets. Extensive experiments demonstrate that our method outperforms other baseline methods, demonstrating its effectiveness in not only improving performance but also mitigating feature distortion.

Out-of-distribution (OOD) generalization has long been a challenging problem that remains largely unsolved. Gaussian processes (GP), as popular probabilistic model classes, especially in the small data regime, presume strong OOD generalization abilities. Surprisingly, their OOD generalization abilities have been under-explored before compared with other lines of GP research. In this paper, we identify that GP is not free from the problem and propose a domain invariant learning algorithm for Gaussian processes (DIL-GP) with a min-max optimization on the likelihood. DIL-GP discovers the heterogeneity in the data and forces invariance across partitioned subsets of data. We further extend the DIL-GP to improve Bayesian optimization's adaptability on changing environments. Numerical experiments demonstrate the superiority of DIL-GP for predictions on several synthetic and real-world datasets. We further demonstrate the effectiveness of the DIL-GP Bayesian optimization method on a PID parameters tuning experiment for a quadrotor. The full version and source code are available at: https://github.com/Billzxl/DIL-GP.

Deep neural networks have shown remarkable performance in image classification. However, their performance significantly deteriorates with corrupted input data. Domain generalization methods have been proposed to train robust models against out-of-distribution data. Data augmentation in the frequency domain is one of such approaches that enable a model to learn phase features to establish domain-invariant representations. This approach changes the amplitudes of the input data while preserving the phases. However, using fixed phases leads to susceptibility to phase fluctuations because amplitudes and phase fluctuations commonly occur in out-of-distribution. In this study, to address this problem, we introduce an approach using finite variation of the phases of input data rather than maintaining fixed phases. Based on the assumption that the degree of domain-invariant features varies for each phase, we propose a method to distinguish phases based on this degree. In addition, we propose a method called vital phase augmentation (VIPAug) that applies the variation to the phases differently according to the degree of domain-invariant features of given phases. The model depends more on the vital phases that contain more domain-invariant features for attaining robustness to amplitude and phase fluctuations. We present experimental evaluations of our proposed approach, which exhibited improved performance for both clean and corrupted data. VIPAug achieved SOTA performance on the benchmark CIFAR-10 and CIFAR-100 datasets, as well as near-SOTA performance on the ImageNet-100 and ImageNet datasets. Our code is available at https://github.com/excitedkid/vipaug.

Collecting and labeling real datasets to train the person search networks not only requires a lot of time and effort, but also accompanies privacy issues. The weakly-supervised and unsupervised domain adaptation methods have been proposed to alleviate the labeling burden for target datasets, however, their generalization capability is limited. We introduce a novel person search method based on the domain generalization framework, that uses an automatically labeled unreal dataset only for training but is applicable to arbitrary unseen real datasets. To alleviate the domain gaps when transferring the knowledge from the unreal source dataset to the real target datasets, we estimate the fidelity of person instances which is then used to train the end-to-end network adaptively. Moreover, we devise a domain-invariant feature learning scheme to encourage the network to suppress the domain-related features. Experimental results demonstrate that the proposed method provides the competitive performance to existing person search methods even though it is applicable to arbitrary unseen datasets without any prior knowledge and re-training burdens.