Learning a compact representation of history is critical for planning and generalization in partially observable environments. While meta-reinforcement learning (RL) agents can attain near Bayes-optimal policies, they often fail to learn the compact, interpretable Bayes-optimal belief states. This representational inefficiency potentially limits the agent's adaptability and generalization capacity. Inspired by predictive coding in neuroscience--which suggests that the brain predicts sensory inputs as a neural implementation of Bayesian inference--and by auxiliary predictive objectives in deep RL, we investigate whether integrating self-supervised predictive coding modules into meta-RL can facilitate learning of Bayes-optimal representations. Through state machine simulation, we show that meta-RL with predictive modules consistently generates more interpretable representations that better approximate Bayes-optimal belief states compared to conventional meta-RL across a wide variety of tasks, even when both achieve optimal policies. In challenging tasks requiring active information seeking, only meta-RL with predictive modules successfully learns optimal representations and policies, whereas conventional meta-RL struggles with inadequate representation learning. Finally, we demonstrate that better representation learning leads to improved generalization. Our results strongly suggest the role of predictive learning as a guiding principle for effective representation learning in agents navigating partial observability.

Learning a compact representation of history is critical for planning and generalization in partially observable environments. While meta-reinforcement learning (RL) agents can attain near Bayes-optimal policies, they often fail to learn the compact, interpretable Bayes-optimal belief states. This representational inefficiency potentially limits the agent's adaptability and generalization capacity. Inspired by predictive coding in neuroscience--which suggests that the brain predicts sensory inputs as a neural implementation of Bayesian inference--and by auxiliary predictive objectives in deep RL, we investigate whether integrating self-supervised predictive coding modules into meta-RL can facilitate learning of Bayes-optimal representations. Through state machine simulation, we show that meta-RL with predictive modules consistently generates more interpretable representations that better approximate Bayes-optimal belief states compared to conventional meta-RL across a wide variety of tasks, even when both achieve optimal policies. In challenging tasks requiring active information seeking, only meta-RL with predictive modules successfully learns optimal representations and policies, whereas conventional meta-RL struggles with inadequate representation learning. Finally, we demonstrate that better representation learning leads to improved generalization. Our results strongly suggest the role of predictive learning as a guiding principle for effective representation learning in agents navigating partial observability.

With the rapid advancement of AI applications, the growing needs for data privacy and model robustness have highlighted the importance of machine unlearning, especially in thriving graph-based scenarios. However, most existing graph unlearning strategies primarily rely on well-designed architectures or manual process, rendering them less user-friendly and posing challenges in terms of deployment efficiency. Furthermore, striking a balance between unlearning performance and framework generalization is also a pivotal concern. To address the above issues, we propose \underline{\textbf{M}}utual \underline{\textbf{E}}volution \underline{\textbf{G}}raph \underline{\textbf{U}}nlearning (MEGU), a new mutual evolution paradigm that simultaneously evolves the predictive and unlearning capacities of graph unlearning. By incorporating aforementioned two components, MEGU ensures complementary optimization in a unified training framework that aligns with the prediction and unlearning requirements. Extensive experiments on 9 graph benchmark datasets demonstrate the superior performance of MEGU in addressing unlearning requirements at the feature, node, and edge levels. Specifically, MEGU achieves average performance improvements of 2.7\%, 2.5\%, and 3.2\% across these three levels of unlearning tasks when compared to state-of-the-art baselines. Furthermore, MEGU exhibits satisfactory training efficiency, reducing time and space overhead by an average of 159.8x and 9.6x, respectively, in comparison to retraining GNN from scratch.

Drug combination therapy is a well-established strategy for disease treatment with better effectiveness and less safety degradation. However, identifying novel drug combinations through wet-lab experiments is resource intensive due to the vast combinatorial search space. Recently, computational approaches, specifically deep learning models have emerged as an efficient way to discover synergistic combinations. While previous methods reported fair performance, their models usually do not take advantage of multi-modal data and they are unable to handle new drugs or cell lines. In this study, we collected data from various datasets covering various drug-related aspects. Then, we take advantage of large-scale pre-training models to generate informative representations and features for drugs, proteins, and diseases. Based on that, a message-passing graph is built on top to propagate information together with graph structure learning flexibility. This is first introduced in the biological networks and enables us to generate pseudo-relations in the graph. Our framework achieves state-of-the-art results in comparison with other deep learning-based methods on synergistic prediction benchmark datasets. We are also capable of inferencing new drug combination data in a test on an independent set released by AstraZeneca, where 10% of improvement over previous methods is observed. In addition, we're robust against unseen drugs and surpass almost 15% AU ROC compared to the second-best model. We believe our framework contributes to both the future wet-lab discovery of novel drugs and the building of promising guidance for precise combination medicine.