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Medication recommendation combines patient medical history with biomedical knowledge to assist doctors in determining medication combinations more accurately and safely. Existing works based on molecular knowledge neglect the 3D geometric structure of molecules and fail to learn the high-dimensional information of medications, leading to structural confusion. Additionally, it does not extract key substructures from a single patient visit, resulting in the failure to identify medication molecules suitable for the current patient visit. To address the above limitations, we propose a bimodal molecular recommendation framework named BiMoRec, which introduces 3D molecular structures to obtain atomic 3D coordinates and edge indices, overcoming the inherent lack of high-dimensional molecular information in 2D molecular structures. To retain the fast training and prediction efficiency of the recommendation system, we use bimodal graph contrastive pretraining to maximize the mutual information between the two molecular modalities, achieving the fusion of 2D and 3D molecular graphs and re-evaluating substructures at the visit level. Specifically, we use deep learning networks to construct a pretraining method that acquires 2D and 3D molecular structure representations and substructure representations, and obtain mutual information through contrastive learning. We then generate fused molecular representations using the trained GNN module and re-determine the relevance of substructure representations in combination with the patient's clinical history. Finally, we generate the final medication combination based on the extracted substructure sequences. Our implementation on the MIMIC-III and MIMIC-IV datasets demonstrates that our method achieves state-of-the-art performance. Compared to the second-best baseline, our model improves accuracy by 2.07%, with DDI at the same level as the baseline., Comment: 14 pages, 9 figures

Medication recommendation systems are developed to recommend suitable medications tailored to specific patient. Previous researches primarily focus on learning medication representations, which have yielded notable advances. However, these methods are limited to capturing personalized patient representations due to the following primary limitations: (i) unable to capture the differences in the impact of diseases/procedures on patients across various patient health states; (ii) fail to model the direct causal relationships between medications and specific health state of patients, resulting in an inability to determine which specific disease each medication is treating. To address these limitations, we propose CausalMed, a patient health state-centric model capable of enhancing the personalization of patient representations. Specifically, CausalMed first captures the causal relationship between diseases/procedures and medications through causal discovery and evaluates their causal effects. Building upon this, CausalMed focuses on analyzing the health state of patients, capturing the dynamic differences of diseases/procedures in different health states of patients, and transforming diseases/procedures into medications on direct causal relationships. Ultimately, CausalMed integrates information from longitudinal visits to recommend medication combinations. Extensive experiments on real-world datasets show that our method learns more personalized patient representation and outperforms state-of-the-art models in accuracy and safety., Comment: CIKM 2024 Full Research Paper

Multi-behavioral recommendation optimizes user experiences by providing users with more accurate choices based on their diverse behaviors, such as view, add to cart, and purchase. Current studies on multi-behavioral recommendation mainly explore the connections and differences between multi-behaviors from an implicit perspective. Specifically, they directly model those relations using black-box neural networks. In fact, users' interactions with items under different behaviors are driven by distinct intents. For instance, when users view products, they tend to pay greater attention to information such as ratings and brands. However, when it comes to the purchasing phase, users become more price-conscious. To tackle this challenge and data sparsity problem in the multi-behavioral recommendation, we propose a novel model: Knowledge-Aware Multi-Intent Contrastive Learning (KAMCL) model. This model uses relationships in the knowledge graph to construct intents, aiming to mine the connections between users' multi-behaviors from the perspective of intents to achieve more accurate recommendations. KAMCL is equipped with two contrastive learning schemes to alleviate the data scarcity problem and further enhance user representations. Extensive experiments on three real datasets demonstrate the superiority of our model.

As medical demands grow and machine learning technology advances, AI-based diagnostic and treatment systems are garnering increasing attention. Medication recommendation aims to integrate patients' long-term health records with medical knowledge, recommending accuracy and safe medication combinations for specific conditions. However, most existing researches treat medication recommendation systems merely as variants of traditional recommendation systems, overlooking the heterogeneity between medications and diseases. To address this challenge, we propose DGMed, a framework for medication recommendation. DGMed utilizes causal inference to uncover the connections among medical entities and presents an innovative feature alignment method to tackle heterogeneity issues. Specifically, this study first applies causal inference to analyze the quantified therapeutic effects of medications on specific diseases from historical records, uncovering potential links between medical entities. Subsequently, we integrate molecular-level knowledge, aligning the embeddings of medications and diseases within the molecular space to effectively tackle their heterogeneity. Ultimately, based on relationships at the entity level, we adaptively adjust the recommendation probabilities of medication and recommend medication combinations according to the patient's current health condition. Experimental results on a real-world dataset show that our method surpasses existing state-of-the-art baselines in four evaluation metrics, demonstrating superior performance in both accuracy and safety aspects. Compared to the sub-optimal model, our approach improved accuracy by 4.40%, reduced the risk of side effects by 6.14%, and increased time efficiency by 47.15%.

With the growing imbalance between limited medical resources and escalating demands, AI-based clinical tasks have become paramount. Medication recommendation, as a sub-domain, aims to amalgamate longitudinal patient history with medical knowledge, assisting physicians in prescribing safer and more accurate medication combinations. Existing methods overlook the inherent long-tail distribution in medical data, lacking balanced representation between head and tail data, which leads to sub-optimal model performance. To address this challenge, we introduce StratMed, a model that incorporates an innovative relevance stratification mechanism. It harmonizes discrepancies in data long-tail distribution and strikes a balance between the safety and accuracy of medication combinations. Specifically, we first construct a pre-training method using deep learning networks to obtain entity representation. After that, we design a pyramid-like data stratification method to obtain more generalized entity relationships by reinforcing the features of unpopular entities. Based on this relationship, we designed two graph structures to express medication precision and safety at the same level to obtain visit representations. Finally, the patient's historical clinical information is fitted to generate medication combinations for the current health condition. Experiments on the MIMIC-III dataset demonstrate that our method has outperformed current state-of-the-art methods in four evaluation metrics (including safety and accuracy).