DDIAgents: Mechanism-Conditioned Context Flow for Drug-Drug Interaction Prediction

Drug-drug interaction (DDI) prediction is essential for medication safety, yet it requires reasoning over heterogeneous biomedical evidence whose relevance changes across interaction mechanisms. We propose DDIAgents, a mechanism-conditioned multi-agent framework that performs DDI prediction through dynamic knowledge orchestration. Given a drug pair, a planner agent instantiates specialized expert agents, routes mechanism-relevant knowledge sources to each agent, and aggregates their analyses through a conclusion agent. By adapting context flow to the inferred interaction mechanism, DDIAgents reduces irrelevant information, supports complementary expert reasoning, and produces interpretable agent-level rationales. Extensive experiments on realistic DDI prediction benchmarks show that DDIAgents consistently outperforms existing feature-based, graph-based, LLM-based, and agent-based baselines. Beyond prediction performance, DDIAgents demonstrates how multi-agent systems can organize heterogeneous scientific knowledge for adaptive and interpretable AI4Science reasoning.

Loss-aware Curriculum Learning for Heterogeneous Graph Neural Networks

Heterogeneous Graph Neural Networks (HGNNs) are a class of deep learning models designed specifically for heterogeneous graphs, which are graphs that contain different types of nodes and edges. This paper investigates the application of curriculum learning techniques to improve the performance and robustness of Heterogeneous Graph Neural Networks (GNNs). To better classify the quality of the data, we design a loss-aware training schedule, named LTS that measures the quality of every nodes of the data and incorporate the training dataset into the model in a progressive manner that increases difficulty step by step. LTS can be seamlessly integrated into various frameworks, effectively reducing bias and variance, mitigating the impact of noisy data, and enhancing overall accuracy. Our findings demonstrate the efficacy of curriculum learning in enhancing HGNNs capabilities for analyzing complex graph-structured data. The code is public at https: //github.com/LARS-research/CLGNN/.