Mingjun Xiao

Chuang Tang, Chenhao Lin, Yin Xu et al.

Parsing chemical reaction diagrams from scientific literature is challenging due to heterogeneous layouts, intertwined visual elements, and the difficulty of integrating recognition and reasoning. Existing vision-language models advance multimodal understanding but still fail on complex diagrams, struggling to maintain spatial coherence and to integrate multidimensional information during reasoning. To address these issues, we propose MACReD, a hierarchical multi-agent framework that coordinates specialized agents for molecular perception, arrow understanding, text extraction, and reaction reconstruction within a unified VLM-guided architecture. The planning and perception layers use flexible, fine-grained detection to handle visual complexity, while the reasoning layer uses a multigraph fusion mechanism to integrate heterogeneous cues and enforce chemically consistent global reasoning. Experiments on the RxnScribe benchmark show that MACReD achieves state-of-the-art performance, with F1 scores of 75.2% and 84.6% under hard and soft match criteria, outperforming the RxnScribe baseline, which obtains 69.1% and 80.0%, respectively. These results demonstrate the robustness of MACReD across diverse diagram layouts, including multi-step and tree-structured reactions.

Zijie Lin, Yiqing Shen, Qilin Cai et al.

Machine Learning (ML) research is spread through academic papers featuring rich multimodal content, including text, diagrams, and tabular results. However, translating these multimodal elements into executable code remains a challenging and time-consuming process that requires substantial ML expertise. We introduce ``Paper-to-Code'' (P2C), a novel task that transforms the multimodal content of scientific publications into fully executable code repositories, which extends beyond the existing formulation of code generation that merely converts textual descriptions into isolated code snippets. To automate the P2C process, we propose AutoP2C, a multi-agent framework based on large language models that processes both textual and visual content from research papers to generate complete code repositories. Specifically, AutoP2C contains four stages: (1) repository blueprint extraction from established codebases, (2) multimodal content parsing that integrates information from text, equations, and figures, (3) hierarchical task decomposition for structured code generation, and (4) iterative feedback-driven debugging to ensure functionality and performance. Evaluation on a benchmark of eight research papers demonstrates the effectiveness of AutoP2C, which can successfully generate executable code repositories for all eight papers, while OpenAI-o1 or DeepSeek-R1 can only produce runnable code for one paper. The code is available at https://github.com/shoushouyu/Automated-Paper-to-Code.

He Sun, Shinan Liu, Li Li et al.

Deploying Large Language Models (LLMs) on memory-constrained AI Personal Computers (AIPCs) enables low-latency, privacy-preserving inference, but long-context generation is fundamentally bottlenecked by the linearly growing Key-Value (KV) cache. While dynamic KV eviction mitigates this memory wall, existing offloading strategies either trigger crippling PCIe I/O bottlenecks on standard SSDs or suffer from FPGA resource exhaustion by forcing compute-intensive exact attention on a single, weak Computational Storage Drive (CSD). In this paper, we propose HillInfer, a CSD-assisted KV eviction framework that introduces a paradigm shift: offloading strictly lightweight token importance evaluation to a single CSD (e.g., SmartSSD) on AIPCs. To fully capitalize on this lightweight offloading strategy, HillInfer orchestrates a Hierarchical KV Cache Manager (HKM) that leverages temporal locality and dynamic token hit rates to physically partition cache pools, thereby eliminating cross-device I/O thrashing. Additionally, we design an Adaptive Prefetch-based Pipeline (APP) that adaptively balances the evaluation workload between the host CPU and the SmartSSD, effectively masking the heterogeneous straggler effect. Finally, we introduce a CSD-based Evaluation Configuration (CEC) to enable resource-efficient near-data processing on the FPGA. Extensive experiments on a commodity AIPC demonstrate that HillInfer achieves up to an 8.56$\times$ speedup over state-of-the-art baselines, delivering low-latency, I/O-efficient long-context inference without sacrificing model accuracy.

Zijie Lin, Qilin Cai, Liang Shen et al.

Automated paper reproduction has emerged as a promising approach to accelerate scientific research, employing multi-step workflow frameworks to systematically convert academic papers into executable code. However, existing frameworks often lack mechanisms to verify and refine the outputs at each generation step, or rely heavily on manually designed prompts for self-refinement, which limits their adaptability and scalability. To address these limitations, we propose a prompt-free collaborative agent framework that automatically enhances the quality of paper-to-code generation. Our approach employs two collaborative agents: a verification agent that examines whether the outputs at each step satisfy the requirements specified in the corresponding system prompt, and a refinement agent that revises the outputs based on the identified issues. Unlike previous methods that require human experts to craft specific refinement prompts for each step, our framework achieves automatic verification and improvement by leveraging only the original system prompts. We integrate our collaborative agents into the Paper2Code framework and conduct comprehensive experiments on PaperBench Code-Dev and Paper2CodeBench datasets. Experimental results demonstrate that our approach significantly improves the accuracy and completeness of reproduced code, achieving performance gains of approximately 15\% and 13\%, respectively, compared to the baseline without our agents. Furthermore, comparative experiments against Self-Refine validate the robustness and consistency of our prompt-free approach across different datasets.

He Sun, Jinrui Zhou, Li Li et al.

Large Language Models (LLMs) perform well on many NLP tasks, but fine-tuning them on resource-constrained mobile devices is challenging due to high memory and computation costs, despite growing demands for privacy-preserving personalization. Federated Learning (FL) enables local-data training, yet existing methods either rely on memory-intensive backpropagation or use zeroth-order optimization (ZOO), which avoids backward passes but suffers from slow convergence and degraded accuracy. We propose CooperLLM, a cloud-assisted edge-end cooperative federated fine-tuning framework that combines ZOO on mobile devices with cloud-guided gradient rectification. Mobile clients perform lightweight ZOO updates on private data, while the cloud fine-tunes on auxiliary public data using backpropagation and injects guided perturbations to rectify local updates, improving convergence and accuracy without violating privacy. To address system bottlenecks, CooperLLM introduces pipeline scheduling and adaptive compression to overlap computation and communication and reduce memory usage. Experiments on multiple Transformer models and datasets show that CooperLLM reduces on-device memory by up to $86.4\%$, accelerates convergence by $8.8 \times$, and improves accuracy by up to 10 percentage points over state-of-the-art ZOO-based baselines.

Haotian Xu, Jinrui Zhou, Xichong Zhang et al.

Federated Learning (FL) is a distributed machine learning paradigm which coordinates multiple clients to collaboratively train a global model via a central server. Sequential Federated Learning (SFL) is a newly-emerging FL training framework where the global model is trained in a sequential manner across clients. Since SFL can provide strong convergence guarantees under data heterogeneity, it has attracted significant research attention in recent years. However, experiments show that SFL suffers from severe catastrophic forgetting in heterogeneous environments, meaning that the model tends to forget knowledge learned from previous clients. To address this issue, we propose an SFL framework with discrepancy-aware multi-teacher knowledge distillation, called SFedKD, which selects multiple models from the previous round to guide the current round of training. In SFedKD, we extend the single-teacher Decoupled Knowledge Distillation approach to our multi-teacher setting and assign distinct weights to teachers' target-class and non-target-class knowledge based on the class distributional discrepancy between teacher and student data. Through this fine-grained weighting strategy, SFedKD can enhance model training efficacy while mitigating catastrophic forgetting. Additionally, to prevent knowledge dilution, we eliminate redundant teachers for the knowledge distillation and formalize it as a variant of the maximum coverage problem. Based on the greedy strategy, we design a complementary-based teacher selection mechanism to ensure that the selected teachers achieve comprehensive knowledge space coverage while reducing communication and computational costs. Extensive experiments show that SFedKD effectively overcomes catastrophic forgetting in SFL and outperforms state-of-the-art FL methods.

Qingsong Yang, Binglan Wu, Xuwei Liu et al.

Nuclear Magnetic Resonance (NMR) spectroscopy is a central characterization method for molecular structure elucidation, yet interpreting NMR spectra to deduce molecular structures remains challenging due to the complexity of spectral data and the vastness of the chemical space. In this work, we introduce DiffNMR, a novel end-to-end framework that leverages a conditional discrete diffusion model for de novo molecular structure elucidation from NMR spectra. DiffNMR refines molecular graphs iteratively through a diffusion-based generative process, ensuring global consistency and mitigating error accumulation inherent in autoregressive methods. The framework integrates a two-stage pretraining strategy that aligns spectral and molecular representations via diffusion autoencoder (Diff-AE) and contrastive learning, the incorporation of retrieval initialization and similarity filtering during inference, and a specialized NMR encoder with radial basis function (RBF) encoding for chemical shifts, preserving continuity and chemical correlation. Experimental results demonstrate that DiffNMR achieves competitive performance for NMR-based structure elucidation, offering an efficient and robust solution for automated molecular analysis.