Lu Qin

Hanchen Wang, Defu Lian, Ying Zhang et al.

Entity interaction prediction is essential in many important applications such as chemistry, biology, material science, and medical science. The problem becomes quite challenging when each entity is represented by a complex structure, namely structured entity, because two types of graphs are involved: local graphs for structured entities and a global graph to capture the interactions between structured entities. We observe that existing works on structured entity interaction prediction cannot properly exploit the unique graph of graphs model. In this paper, we propose a Graph of Graphs Neural Network, namely GoGNN, which extracts the features in both structured entity graphs and the entity interaction graph in a hierarchical way. We also propose the dual-attention mechanism that enables the model to preserve the neighbor importance in both levels of graphs. Extensive experiments on real-world datasets show that GoGNN outperforms the state-of-the-art methods on two representative structured entity interaction prediction tasks: chemical-chemical interaction prediction and drug-drug interaction prediction. Our code is available at Github.

Zhepei Wei, Wenlin Yao, Yao Liu et al.

While reinforcement learning (RL) has demonstrated remarkable success in enhancing large language models (LLMs), it has primarily focused on single-turn tasks such as solving math problems. Training effective web agents for multi-turn interactions remains challenging due to the complexity of long-horizon decision-making across dynamic web interfaces. In this work, we present WebAgent-R1, a simple yet effective end-to-end multi-turn RL framework for training web agents. It learns directly from online interactions with web environments by asynchronously generating diverse trajectories, entirely guided by binary rewards depending on task success. Experiments on the WebArena-Lite benchmark demonstrate the effectiveness of WebAgent-R1, boosting the task success rate of Qwen-2.5-3B from 6.1% to 33.9% and Llama-3.1-8B from 8.5% to 44.8%, significantly outperforming existing state-of-the-art methods and strong proprietary models such as OpenAI o3. In-depth analyses reveal the effectiveness of the thinking-based prompting strategy and test-time scaling through increased interactions for web tasks. We further investigate different RL initialization policies by introducing two variants, namely WebAgent-R1-Zero and WebAgent-R1-CoT, which highlight the importance of the warm-up training stage (i.e., behavior cloning) and provide insights on incorporating long chain-of-thought (CoT) reasoning in web agents.

Zhenghao Xu, Qin Lu, Qingru Zhang et al. · gatech

Reward model (RM) plays a pivotal role in reinforcement learning with human feedback (RLHF) for aligning large language models (LLMs). However, classical RMs trained on human preferences are vulnerable to reward hacking and generalize poorly to out-of-distribution (OOD) inputs. By contrast, strong LLM judges equipped with reasoning capabilities demonstrate superior generalization, even without additional training, but incur significantly higher inference costs, limiting their applicability in online RLHF. In this work, we propose an uncertainty-based routing framework that efficiently complements a fast RM with a strong but costly LLM judge. Our approach formulates advantage estimation in policy gradient (PG) methods as pairwise preference classification, enabling principled uncertainty quantification to guide routing. Uncertain pairs are forwarded to the LLM judge, while confident ones are evaluated by the RM. Experiments on RM benchmarks demonstrate that our uncertainty-based routing strategy significantly outperforms random judge calling at the same cost, and downstream alignment results showcase its effectiveness in improving online RLHF.

Han Chen, Hanchen Wang, Hongmei Chen et al.

The advancement of graph-based malware analysis is critically limited by the absence of large-scale datasets that capture the inherent hierarchical structure of software. Existing methods often oversimplify programs into single level graphs, failing to model the crucial semantic relationship between high-level functional interactions and low-level instruction logic. To bridge this gap, we introduce \dataset, the largest public hierarchical graph dataset for malware analysis, comprising over \textbf{200M} Control Flow Graphs (CFGs) nested within \textbf{595K} Function Call Graphs (FCGs). This two-level representation preserves structural semantics essential for building robust detectors resilient to code obfuscation and malware evolution. We demonstrate HiGraph's utility through a large-scale analysis that reveals distinct structural properties of benign and malicious software, establishing it as a foundational benchmark for the community. The dataset and tools are publicly available at https://higraph.org.

Lu Qin, Longbin Lai, Kongzhang Hao et al.

Graph database has enjoyed a boom in the last decade, and graph queries accordingly gain a lot of attentions from both the academia and industry. We focus on analytical queries in this paper. While analyzing existing domain-specific languages (DSLs) for analytical queries regarding the perspectives of completeness, expressiveness and programmability, we find out that none of existing work has achieved a satisfactory coverage of these perspectives. Motivated by this, we propose the \flash DSL, which is named after the three primitive operators Filter, LocAl and PuSH. We prove that \flash is Turing complete (completeness), and show that it achieves both good expressiveness and programmability for analytical queries. We provide an implementation of \flash based on code generation, and compare it with native C++ codes and existing DSL using representative queries. The experiment results demonstrate \flash's expressiveness, and its capability of programming complex algorithms that achieve satisfactory runtime.