Shuo Shi

Peng Kang, Bixuan Li, Xiaoya Huang et al.

The Materials Genome Initiative catalyzed the proliferation of centralized platforms--SaaS, PaaS, and IaaS--that aggregate computational and experimental resources for accelerated materials discovery. In parallel, breakthroughs in large language models (LLMs) and autonomous agents have created powerful new reasoning capabilities for scientific research. Yet a critical "last mile" problem remains: while we possess world-class models and vast repositories of materials data, we lack the organizational infrastructure to compose these capabilities securely across institutional boundaries. The development of structural and functional materials for harsh service environments--high-temperature alloys, radiation resistant steels, corrosion-resistant coatings--remains characterized by long-term iteration, mechanistic complexity, and high domain expertise--demands that exceed both monolithic agent systems and traditional centralized platforms. To address this gap we propose OpenAaaS, an open-source hierarchical and distributed Agent-as-a-Service framework that enables organized multi-agent collaboration for intelligent materials design. OpenAaaS is built on a single foundational principle: code flows, data stays still. A Master Agent plans and decomposes complex research tasks without requiring direct access to subordinate agents' managed data and computational resources. Sub-agents, deployed as near-data execution nodes, retain full sovereignty over local datasets, proprietary algorithms, and specialized hardware. This architecture guarantees that raw data never leaves its domain of origin while enabling cross-scale, cross-domain secure integration of previously isolated materials intelligence silos. We validate the framework through two representative case studies: (i) AlphaAgent, an evidence-grounded materials literature analysis executor that achieves 4.66/5.0 on deep analytical questions against single-pass RAG baselines; and (ii) an ultra-large-scale hexa-high-entropy alloy descriptor database service that demonstrates secure near-data execution and domain-specific scientific workflows under strict data-sovereignty constraints. OpenAaaS establishes a principled pathway toward "organized research" via agent collectives, offering a scalable foundation for next-generation materials intelligent design platforms. All source code is available at https://github.com/Wolido/OpenAaaS.

Kecheng Cai, Chao Peng, Chenyang Xu et al.

Quality of Service (QoS) prediction is one of the most fundamental problems in service computing and personalized recommendation. In the problem, there is a set of users and services, each associated with a set of descriptive features. Interactions between users and services produce feedback values, typically represented as numerical QoS metrics such as response time or availability. Given the observed feedback for a subset of user-service pairs, the goal is to predict the QoS values for the remaining pairs. A key challenge in QoS prediction is the inherent sparsity of user-service interactions, as only a small subset of feedback values is typically observed. To address this, we propose a self-augmented strategy that leverages a model's own predictions for iterative refinement. In particular, we partially mask the predicted values and feed them back into the model to predict again. Building on this idea, we design a self-augmented mixture-of-experts model, where multiple expert networks iteratively and collaboratively estimate QoS values. We find that the iterative augmentation process naturally aligns with the MoE architecture by enabling inter-expert communication: in the second round, each expert receives the first-round predictions and refines its output accordingly. Experiments on benchmark datasets show that our method outperforms existing baselines and achieves competitive results.

Yingbin Liang, Lu Dai, Shuo Shi et al.

Complex data mining has wide application value in many fields, especially in the feature extraction and classification tasks of unlabeled data. This paper proposes an algorithm based on self-supervised learning and verifies its effectiveness through experiments. The study found that in terms of the selection of optimizer and learning rate, the combination of AdamW optimizer and 0.002 learning rate performed best in all evaluation indicators, indicating that the adaptive optimization method can improve the performance of the model in complex data mining tasks. In addition, the ablation experiment further analyzed the contribution of each module. The results show that contrastive learning, variational modules, and data augmentation strategies play a key role in the generalization ability and robustness of the model. Through the convergence curve analysis of the loss function, the experiment verifies that the method can converge stably during the training process and effectively avoid serious overfitting. Further experimental results show that the model has strong adaptability on different data sets, can effectively extract high-quality features from unlabeled data, and improves classification accuracy. At the same time, under different data distribution conditions, the method can still maintain high detection accuracy, proving its applicability in complex data environments. This study analyzed the role of self-supervised learning methods in complex data mining through systematic experiments and verified its advantages in improving feature extraction quality, optimizing classification performance, and enhancing model stability

Shuo Shi, Chao Peng, Chenyang Xu et al.

The paper studies sequential reasoning over graph-structured data, which stands as a fundamental task in various trending fields like automated math problem solving and neural graph algorithm learning, attracting a lot of research interest. Simultaneously managing both sequential and graph-structured information in such tasks presents a notable challenge. Over recent years, many neural architectures in the literature have emerged to tackle the issue. In this work, we generalize the existing architectures and propose a context-enhanced framework. The crucial innovation is that the reasoning of each step does not only rely on the outcome of the preceding step but also leverages the aggregation of information from more historical outcomes. The idea stems from our observation that in sequential graph reasoning, each step's outcome has a much stronger inner connection with each other compared to traditional seq-to-seq tasks. We show that the framework can effectively integrate with the existing methods, enhancing their reasoning abilities. Empirical evaluations are conducted on the challenging CLRS Reasoning Benchmark, and the results demonstrate that the proposed framework significantly improves the performance of existing architectures, yielding state-of-the-art results across the majority of the datasets within the benchmark.