HODDI: A Dataset of High-Order Drug-Drug Interactions for Computational Pharmacovigilance

Drug-side effect research is vital for understanding adverse reactions arising in complex multi-drug therapies. However, the scarcity of higher-order datasets that capture the combinatorial effects of multiple drugs severely limits progress in this field. Existing resources such as TWOSIDES primarily focus on pairwise interactions. To fill this critical gap, we introduce HODDI, the first Higher-Order Drug-Drug Interaction Dataset, constructed from U.S. Food and Drug Administration (FDA) Adverse Event Reporting System (FAERS) records spanning the past decade, to advance computational pharmacovigilance. HODDI contains 109,744 records involving 2,506 unique drugs and 4,569 unique side effects, specifically curated to capture multi-drug interactions and their collective impact on adverse effects. Comprehensive statistical analyses demonstrate HODDI's extensive coverage and robust analytical metrics, making it a valuable resource for studying higher-order drug relationships. Evaluating HODDI with multiple models, we found that simple Multi-Layer Perceptron (MLP) can outperform graph models, while hypergraph models demonstrate superior performance in capturing complex multi-drug interactions, further validating HODDI's effectiveness. Our findings highlight the inherent value of higher-order information in drug-side effect prediction and position HODDI as a benchmark dataset for advancing research in pharmacovigilance, drug safety, and personalized medicine. The dataset and codes are available at https://github.com/TIML-Group/HODDI.

LATTE: Label-efficient Incident Phenotyping from Longitudinal Electronic Health Records

Electronic health record (EHR) data are increasingly used to support real-world evidence (RWE) studies. Yet its ability to generate reliable RWE is limited by the lack of readily available precise information on the timing of clinical events such as the onset time of heart failure. We propose a LAbel-efficienT incidenT phEnotyping (LATTE) algorithm to accurately annotate the timing of clinical events from longitudinal EHR data. By leveraging the pre-trained semantic embedding vectors from large-scale EHR data as prior knowledge, LATTE selects predictive EHR features in a concept re-weighting module by mining their relationship to the target event and compresses their information into longitudinal visit embeddings through a visit attention learning network. LATTE employs a recurrent neural network to capture the sequential dependency between the target event and visit embeddings before/after it. To improve label efficiency, LATTE constructs highly informative longitudinal silver-standard labels from large-scale unlabeled patients to perform unsupervised pre-training and semi-supervised joint training. Finally, LATTE enhances cross-site portability via contrastive representation learning. LATTE is evaluated on three analyses: the onset of type-2 diabetes, heart failure, and the onset and relapses of multiple sclerosis. We use various evaluation metrics present in the literature including the $ABC_{gain}$, the proportion of reduction in the area between the observed event indicator and the predicted cumulative incidences in reference to the prediction per incident prevalence. LATTE consistently achieves substantial improvement over benchmark methods such as SAMGEP and RETAIN in all settings.

Discriminative Radial Domain Adaptation

Domain adaptation methods reduce domain shift typically by learning domain-invariant features. Most existing methods are built on distribution matching, e.g., adversarial domain adaptation, which tends to corrupt feature discriminability. In this paper, we propose Discriminative Radial Domain Adaptation (DRDR) which bridges source and target domains via a shared radial structure. It's motivated by the observation that as the model is trained to be progressively discriminative, features of different categories expand outwards in different directions, forming a radial structure. We show that transferring such an inherently discriminative structure would enable to enhance feature transferability and discriminability simultaneously. Specifically, we represent each domain with a global anchor and each category a local anchor to form a radial structure and reduce domain shift via structure matching. It consists of two parts, namely isometric transformation to align the structure globally and local refinement to match each category. To enhance the discriminability of the structure, we further encourage samples to cluster close to the corresponding local anchors based on optimal-transport assignment. Extensively experimenting on multiple benchmarks, our method is shown to consistently outperforms state-of-the-art approaches on varied tasks, including the typical unsupervised domain adaptation, multi-source domain adaptation, domain-agnostic learning, and domain generalization.

Contrast-reconstruction Representation Learning for Self-supervised Skeleton-based Action Recognition

Skeleton-based action recognition is widely used in varied areas, e.g., surveillance and human-machine interaction. Existing models are mainly learned in a supervised manner, thus heavily depending on large-scale labeled data which could be infeasible when labels are prohibitively expensive. In this paper, we propose a novel Contrast-Reconstruction Representation Learning network (CRRL) that simultaneously captures postures and motion dynamics for unsupervised skeleton-based action recognition. It mainly consists of three parts: Sequence Reconstructor, Contrastive Motion Learner, and Information Fuser. The Sequence Reconstructor learns representation from skeleton coordinate sequence via reconstruction, thus the learned representation tends to focus on trivial postural coordinates and be hesitant in motion learning. To enhance the learning of motions, the Contrastive Motion Learner performs contrastive learning between the representations learned from coordinate sequence and additional velocity sequence, respectively. Finally, in the Information Fuser, we explore varied strategies to combine the Sequence Reconstructor and Contrastive Motion Learner, and propose to capture postures and motions simultaneously via a knowledge-distillation based fusion strategy that transfers the motion learning from the Contrastive Motion Learner to the Sequence Reconstructor. Experimental results on several benchmarks, i.e., NTU RGB+D 60, NTU RGB+D 120, CMU mocap, and NW-UCLA, demonstrate the promise of the proposed CRRL method by far outperforming state-of-the-art approaches.

Semi-Supervised Hypothesis Transfer for Source-Free Domain Adaptation

Domain Adaptation has been widely used to deal with the distribution shift in vision, language, multimedia etc. Most domain adaptation methods learn domain-invariant features with data from both domains available. However, such a strategy might be infeasible in practice when source data are unavailable due to data-privacy concerns. To address this issue, we propose a novel adaptation method via hypothesis transfer without accessing source data at adaptation stage. In order to fully use the limited target data, a semi-supervised mutual enhancement method is proposed, in which entropy minimization and augmented label propagation are used iteratively to perform inter-domain and intra-domain alignments. Compared with state-of-the-art methods, the experimental results on three public datasets demonstrate that our method gets up to 19.9% improvements on semi-supervised adaptation tasks.

Interventional Domain Adaptation

Domain adaptation (DA) aims to transfer discriminative features learned from source domain to target domain. Most of DA methods focus on enhancing feature transferability through domain-invariance learning. However, source-learned discriminability itself might be tailored to be biased and unsafely transferable by spurious correlations, \emph{i.e.}, part of source-specific features are correlated with category labels. We find that standard domain-invariance learning suffers from such correlations and incorrectly transfers the source-specifics. To address this issue, we intervene in the learning of feature discriminability using unlabeled target data to guide it to get rid of the domain-specific part and be safely transferable. Concretely, we generate counterfactual features that distinguish the domain-specifics from domain-sharable part through a novel feature intervention strategy. To prevent the residence of domain-specifics, the feature discriminability is trained to be invariant to the mutations in the domain-specifics of counterfactual features. Experimenting on typical \emph{one-to-one} unsupervised domain adaptation and challenging domain-agnostic adaptation tasks, the consistent performance improvements of our method over state-of-the-art approaches validate that the learned discriminative features are more safely transferable and generalize well to novel domains.

Beyond $\mathcal{H}$-Divergence: Domain Adaptation Theory With Jensen-Shannon Divergence

We reveal the incoherence between the widely-adopted empirical domain adversarial training and its generally-assumed theoretical counterpart based on $\mathcal{H}$-divergence. Concretely, we find that $\mathcal{H}$-divergence is not equivalent to Jensen-Shannon divergence, the optimization objective in domain adversarial training. To this end, we establish a new theoretical framework by directly proving the upper and lower target risk bounds based on joint distributional Jensen-Shannon divergence. We further derive bi-directional upper bounds for marginal and conditional shifts. Our framework exhibits inherent flexibilities for different transfer learning problems, which is usable for various scenarios where $\mathcal{H}$-divergence-based theory fails to adapt. From an algorithmic perspective, our theory enables a generic guideline unifying principles of semantic conditional matching, feature marginal matching, and label marginal shift correction. We employ algorithms for each principle and empirically validate the benefits of our framework on real datasets.

Deep Robotic Prediction with hierarchical RGB-D Fusion

Robotic arm grasping is a fundamental operation in robotic control task goals. Most current methods for robotic grasping focus on RGB-D policy in the table surface scenario or 3D point cloud analysis and inference in the 3D space. Comparing to these methods, we propose a novel real-time multimodal hierarchical encoder-decoder neural network that fuses RGB and depth data to realize robotic humanoid grasping in 3D space with only partial observation. The quantification of raw depth data's uncertainty and depth estimation fusing RGB is considered. We develop a general labeling method to label ground-truth on common RGB-D datasets. We evaluate the effectiveness and performance of our method on a physical robot setup and our method achieves over 90\% success rate in both table surface and 3D space scenarios.

C^3 Framework: An Open-source PyTorch Code for Crowd Counting

This technical report attempts to provide efficient and solid kits addressed on the field of crowd counting, which is denoted as Crowd Counting Code Framework (C$^3$F). The contributions of C$^3$F are in three folds: 1) Some solid baseline networks are presented, which have achieved the state-of-the-arts. 2) Some flexible parameter setting strategies are provided to further promote the performance. 3) A powerful log system is developed to record the experiment process, which can enhance the reproducibility of each experiment. Our code is made publicly available at \url{https://github.com/gjy3035/C-3-Framework}. Furthermore, we also post a Chinese blog\footnote{\url{https://zhuanlan.zhihu.com/p/65650998}} to describe the details and insights of crowd counting.

Bayesian Uncertainty Matching for Unsupervised Domain Adaptation

Domain adaptation is an important technique to alleviate performance degradation caused by domain shift, e.g., when training and test data come from different domains. Most existing deep adaptation methods focus on reducing domain shift by matching marginal feature distributions through deep transformations on the input features, due to the unavailability of target domain labels. We show that domain shift may still exist via label distribution shift at the classifier, thus deteriorating model performances. To alleviate this issue, we propose an approximate joint distribution matching scheme by exploiting prediction uncertainty. Specifically, we use a Bayesian neural network to quantify prediction uncertainty of a classifier. By imposing distribution matching on both features and labels (via uncertainty), label distribution mismatching in source and target data is effectively alleviated, encouraging the classifier to produce consistent predictions across domains. We also propose a few techniques to improve our method by adaptively reweighting domain adaptation loss to achieve nontrivial distribution matching and stable training. Comparisons with state of the art unsupervised domain adaptation methods on three popular benchmark datasets demonstrate the superiority of our approach, especially on the effectiveness of alleviating negative transfer.