Shuhao Zhang

Youjun Xu, Jinchuan Xiao, Chia-Han Chou et al.

Molecular structures are always depicted as 2D printed form in scientific documents like journal papers and patents. However, these 2D depictions are not machine-readable. Due to a backlog of decades and an increasing amount of these printed literature, there is a high demand for the translation of printed depictions into machine-readable formats, which is known as Optical Chemical Structure Recognition (OCSR). Most OCSR systems developed over the last three decades follow a rule-based approach where the key step of vectorization of the depiction is based on the interpretation of vectors and nodes as bonds and atoms. Here, we present a practical software MolMiner, which is primarily built up using deep neural networks originally developed for semantic segmentation and object detection to recognize atom and bond elements from documents. These recognized elements can be easily connected as a molecular graph with distance-based construction algorithm. We carefully evaluate our software on four benchmark datasets with the state-of-the-art performance. Various real application scenarios are also tested, yielding satisfactory outcomes. The free download links of Mac and Windows versions are available: Mac: https://molminer-cdn.iipharma.cn/pharma-mind/artifact/latest/mac/PharmaMind-mac-latest-setup.dmg and Windows: https://molminer-cdn.iipharma.cn/pharma-mind/artifact/latest/win/PharmaMind-win-latest-setup.exe

Shuhan Qi, Shuhao Zhang, Qiang Wang et al.

Value-decomposition methods, which reduce the difficulty of a multi-agent system by decomposing the joint state-action space into local observation-action spaces, have become popular in cooperative multi-agent reinforcement learning (MARL). However, value-decomposition methods still have the problems of tremendous sample consumption for training and lack of active exploration. In this paper, we propose a scalable value-decomposition exploration (SVDE) method, which includes a scalable training mechanism, intrinsic reward design, and explorative experience replay. The scalable training mechanism asynchronously decouples strategy learning with environmental interaction, so as to accelerate sample generation in a MapReduce manner. For the problem of lack of exploration, an intrinsic reward design and explorative experience replay are proposed, so as to enhance exploration to produce diverse samples and filter non-novel samples, respectively. Empirically, our method achieves the best performance on almost all maps compared to other popular algorithms in a set of StarCraft II micromanagement games. A data-efficiency experiment also shows the acceleration of SVDE for sample collection and policy convergence, and we demonstrate the effectiveness of factors in SVDE through a set of ablation experiments.

Shuhan Qi, Shuhao Zhang, Xiaohan Hou et al.

Multi-agent reinforcement learning for incomplete information environments has attracted extensive attention from researchers. However, due to the slow sample collection and poor sample exploration, there are still some problems in multi-agent reinforcement learning, such as unstable model iteration and low training efficiency. Moreover, most of the existing distributed framework are proposed for single-agent reinforcement learning and not suitable for multi-agent. In this paper, we design an distributed MARL framework based on the actor-work-learner architecture. In this framework, multiple asynchronous environment interaction modules can be deployed simultaneously, which greatly improves the sample collection speed and sample diversity. Meanwhile, to make full use of computing resources, we decouple the model iteration from environment interaction, and thus accelerate the policy iteration. Finally, we verified the effectiveness of propose framework in MaCA military simulation environment and the SMAC 3D realtime strategy gaming environment with imcomplete information characteristics.

Shuhao Zhang, Xianzhi Zeng, Yuhao Wu et al.

Large Language Models (LLMs) have demonstrated extraordinary performance across a broad array of applications, from traditional language processing tasks to interpreting structured sequences like time-series data. Yet, their effectiveness in fast-paced, online decision-making environments requiring swift, accurate, and concurrent responses poses a significant challenge. This paper introduces TStreamLLM, a revolutionary framework integrating Transactional Stream Processing (TSP) with LLM management to achieve remarkable scalability and low latency. By harnessing the scalability, consistency, and fault tolerance inherent in TSP, TStreamLLM aims to manage continuous & concurrent LLM updates and usages efficiently. We showcase its potential through practical use cases like real-time patient monitoring and intelligent traffic management. The exploration of synergies between TSP and LLM management can stimulate groundbreaking developments in AI and database research. This paper provides a comprehensive overview of challenges and opportunities in this emerging field, setting forth a roadmap for future exploration and development.

Dandan Zhao, Karthick Sharma, Hongpeng Yin et al.

Fault diagnosis (FD) is essential for maintaining operational safety and minimizing economic losses by detecting system abnormalities. Recently, deep learning (DL)-driven FD methods have gained prominence, offering significant improvements in precision and adaptability through the utilization of extensive datasets and advanced DL models. Modern industrial environments, however, demand FD methods that can handle new fault types, dynamic conditions, large-scale data, and provide real-time responses with minimal prior information. Although online continual learning (OCL) demonstrates potential in addressing these requirements by enabling DL models to continuously learn from streaming data, it faces challenges such as data redundancy, imbalance, and limited labeled data. To overcome these limitations, we propose SRTFD, a scalable real-time fault diagnosis framework that enhances OCL with three critical methods: Retrospect Coreset Selection (RCS), which selects the most relevant data to reduce redundant training and improve efficiency; Global Balance Technique (GBT), which ensures balanced coreset selection and robust model performance; and Confidence and Uncertainty-driven Pseudo-label Learning (CUPL), which updates the model using unlabeled data for continuous adaptation. Extensive experiments on a real-world dataset and two public simulated datasets demonstrate SRTFD's effectiveness and potential for providing advanced, scalable, and precise fault diagnosis in modern industrial systems.

Qi Cao, Shuhao Zhang, Ruizhe Zhou et al.

Model routing chooses which language model to use for each query. By sending easy queries to cheaper models and hard queries to stronger ones, it can significantly reduce inference cost while maintaining high accuracy. However, most existing routers treat this as a fixed choice among a small set of models, which makes them hard to adapt to new models or changing budget constraints. In this paper, we propose SCOPE (Scalable and Controllable Outcome Performance Estimator), a routing framework that goes beyond model selection by predicting their cost and performance. Trained with reinforcement learning, SCOPE makes reasoning-based predictions by retrieving how models behave on similar problems, rather than relying on fixed model names, enabling it to work with new, unseen models. Moreover, by explicitly predicting how accurate and how expensive a model will be, it turns routing into a dynamic decision problem, allowing users to easily control the trade-off between accuracy and cost. Experiments show that SCOPE is more than just a cost-saving tool. It flexibly adapts to user needs: it can boost accuracy by up to 25.7% when performance is the priority, or cut costs by up to 95.1% when efficiency matters most.

Yuhao Wu, Tongjun Shi, Karthick Sharma et al.

Large Language Models (LLMs) serve as repositories of extensive world knowledge, enabling them to perform tasks such as question-answering and fact-checking. However, this knowledge can become obsolete as global contexts change. In this paper, we introduce a novel problem in the realm of continual learning: Online Continual Knowledge Learning (OCKL). This problem formulation aims to manage the dynamic nature of world knowledge in LMs under real-time constraints. We propose a new benchmark and evaluation metric designed to measure both the rate of new knowledge acquisition and the retention of previously learned knowledge. Our empirical evaluation, conducted using a variety of state-of-the-art methods, establishes robust base-lines for OCKL. Our results reveal that existing continual learning approaches are unfortunately insufficient for tackling the unique challenges posed by OCKL. We identify key factors that influence the trade-off between knowledge acquisition and retention, thereby advancing our understanding of how to train LMs in a continually evolving environment.

Huilin Wu, Mian Lu, Zhao Zheng et al.

Many of the existing sentiment analysis techniques are based on supervised learning, and they demand the availability of valuable training datasets to train their models. When dataset freshness is critical, the annotating of high speed unlabelled data streams becomes critical but remains an open problem. In this paper, we propose PLStream, a novel Apache Flink-based framework for fast polarity labelling of massive data streams, like Twitter tweets or online product reviews. We address the associated implementation challenges and propose a list of techniques including both algorithmic improvements and system optimizations. A thorough empirical validation with two real-world workloads demonstrates that PLStream is able to generate high quality labels (almost 80% accuracy) in the presence of high-speed continuous unlabelled data streams (almost 16,000 tuples/sec) without any manual efforts.

Yuyang Wu, Jinhui Ye, Shuhao Zhang et al.

Large Language Models (LLMs) have shown growing potential in molecular sciences, but they often produce chemically inaccurate descriptions and struggle to recognize or justify potential errors. This raises important concerns about their robustness and reliability in scientific applications. To support more rigorous evaluation of LLMs in chemical reasoning, we present the MolErr2Fix benchmark, designed to assess LLMs on error detection and correction in molecular descriptions. Unlike existing benchmarks focused on molecule-to-text generation or property prediction, MolErr2Fix emphasizes fine-grained chemical understanding. It tasks LLMs with identifying, localizing, explaining, and revising potential structural and semantic errors in molecular descriptions. Specifically, MolErr2Fix consists of 1,193 fine-grained annotated error instances. Each instance contains quadruple annotations, i.e,. (error type, span location, the explanation, and the correction). These tasks are intended to reflect the types of reasoning and verification required in real-world chemical communication. Evaluations of current state-of-the-art LLMs reveal notable performance gaps, underscoring the need for more robust chemical reasoning capabilities. MolErr2Fix provides a focused benchmark for evaluating such capabilities and aims to support progress toward more reliable and chemically informed language models. All annotations and an accompanying evaluation API will be publicly released to facilitate future research.