Pharmaceutical patents play a vital role in biochemical industries, especially in drug discovery, providing researchers with unique early access to data, experimental results, and research insights. With the advancement of machine learning, patent analysis has evolved from manual labor to tasks assisted by automatic tools. However, there still lacks an unified agent that assists every aspect of patent analysis, from patent reading to core chemical identification. Leveraging the capabilities of Large Language Models (LLMs) to understand requests and follow instructions, we introduce the $\textbf{first}$ intelligent agent in this domain, $\texttt{PatentAgent}$, poised to advance and potentially revolutionize the landscape of pharmaceutical research. $\texttt{PatentAgent}$ comprises three key end-to-end modules -- $\textit{PA-QA}$, $\textit{PA-Img2Mol}$, and $\textit{PA-CoreId}$ -- that respectively perform (1) patent question-answering, (2) image-to-molecular-structure conversion, and (3) core chemical structure identification, addressing the essential needs of scientists and practitioners in pharmaceutical patent analysis. Each module of $\texttt{PatentAgent}$ demonstrates significant effectiveness with the updated algorithm and the synergistic design of $\texttt{PatentAgent}$ framework. $\textit{PA-Img2Mol}$ outperforms existing methods across CLEF, JPO, UOB, and USPTO patent benchmarks with an accuracy gain between 2.46% and 8.37% while $\textit{PA-CoreId}$ realizes accuracy improvement ranging from 7.15% to 7.62% on PatentNetML benchmark. Our code and dataset will be publicly available.

Pursuing artificial intelligence for biomedical science, a.k.a. AI Scientist, draws increasing attention, where one common approach is to build a copilot agent driven by Large Language Models (LLMs). However, to evaluate such systems, people either rely on direct Question-Answering (QA) to the LLM itself, or in a biomedical experimental manner. How to precisely benchmark biomedical agents from an AI Scientist perspective remains largely unexplored. To this end, we draw inspiration from one most important abilities of scientists, understanding the literature, and introduce BioKGBench. In contrast to traditional evaluation benchmark that only focuses on factual QA, where the LLMs are known to have hallucination issues, we first disentangle "Understanding Literature" into two atomic abilities, i) "Understanding" the unstructured text from research papers by performing scientific claim verification, and ii) Ability to interact with structured Knowledge-Graph Question-Answering (KGQA) as a form of "Literature" grounding. We then formulate a novel agent task, dubbed KGCheck, using KGQA and domain-based Retrieval-Augmented Generation (RAG) to identify the factual errors of existing large-scale knowledge graph databases. We collect over two thousand data for two atomic tasks and 225 high-quality annotated data for the agent task. Surprisingly, we discover that state-of-the-art agents, both daily scenarios and biomedical ones, have either failed or inferior performance on our benchmark. We then introduce a simple yet effective baseline, dubbed BKGAgent. On the widely used popular knowledge graph, we discover over 90 factual errors which provide scenarios for agents to make discoveries and demonstrate the effectiveness of our approach. The code and data are available at https://github.com/westlake-autolab/BioKGBench.

This work presents a distributed method for multi-vehicle coordination based on nonlinear model predictive control (NMPC) and dual decomposition. Our approach allows the vehicles to coordinate in tight spaces (e.g., busy highway lanes or parking lots) by using a polytopic description of each vehicle's shape and formulating collision avoidance as a dual optimization problem. Our method accommodates heterogeneous teams of vehicles (i.e., vehicles with different polytopic shapes and dynamic models can be part of the same team). Our method allows the vehicles to share their intentions in a distributed fashion without relying on a central coordinator and efficiently provides collision-free trajectories for the vehicles. In addition, our method decouples the individual-vehicles' trajectory optimization from their collision-avoidance objectives enhancing the scalability of the method and allowing one to exploit parallel hardware architectures. All these features are particularly important for vehicular applications, where the systems operate at high-frequency rates in dynamic environments. To validate our method, we apply it in a vehicular application, that is, the autonomous lane-merging of a team of connected vehicles to form a platoon. We compare our design with the centralized NMPC design to show the computational benefits of the proposed distributed algorithm.

Floating centroid method (FCM) offers an efficient way to solve a fixed-centroid problem for the neural network classifiers. However, evolutionary computation as its optimization method restrains the FCM to achieve satisfactory performance for different neural network structures, because of the high computational complexity and inefficiency. Traditional gradient-based methods have been extensively adopted to optimize the neural network classifiers. In this study, a gradient-based floating centroid (GDFC) method is introduced to address the fixed centroid problem for the neural network classifiers optimized by gradient-based methods. Furthermore, a new loss function for optimizing GDFC is introduced. The experimental results display that GDFC obtains promising classification performance than the comparison methods on the benchmark datasets.

In this paper, we propose a novel framework for approximating the explicit MPC law for linear parameter-varying systems using supervised learning. In contrast to most existing approaches, we not only learn the control policy, but also a "certificate policy", that allows us to estimate the sub-optimality of the learned control policy online, during execution-time. We learn both these policies from data using supervised learning techniques, and also provide a randomized method that allows us to guarantee the quality of each learned policy, measured in terms of feasibility and optimality. This in turn allows us to bound the probability of the learned control policy of being infeasible or suboptimal, where the check is performed by the certificate policy. Since our algorithm does not require the solution of an optimization problem during run-time, it can be deployed even on resource-constrained systems. We illustrate the efficacy of the proposed framework on a vehicle dynamics control problem where we demonstrate a speedup of up to two orders of magnitude compared to online optimization with minimal performance degradation.