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Annealed Co-Generation: Disentangling Variables via Progressive Pairwise Modeling

arXiv:2603.06615v1 Announce Type: cross Abstract: For multivariate co-generation in scientific applications, we advocate pairwise block rather than joint modeling of all variables. This design mitigates the computational burden and data imbalance. To this end, we propose an Annealed Co-Generation (ACG) framework that replaces high-dimensional diffusion modeling with a low-dimensional diffusion model, which enables multivariate co-generation by composing pairwise variable generations. We first train an unconditional diffusion model over causal variables that are disentangled into pairs. At inference time, we recover the joint distribution by coupling these pairwise models through shared common variables, enabling coherent multivariate generation without any additional training. By employing a three-stage annealing process-Consensus, Heating, and Cooling-our method enforces consistency across shared common variables and progressively constrains each pairwise data distribution to lie on a learnable manifold, while maintaining high likelihood within each pair. We demonstrate the framework's flexibility and efficacy on two distinct scientific tasks: flow-field completion and antibody generation. All datasets and code will be made publicly available upon publication.

Evo: Autoregressive-Diffusion Large Language Models with Evolving Balance

arXiv:2603.06617v1 Announce Type: cross Abstract: We introduce \textbf{Evo}, a duality latent trajectory model that bridges autoregressive (AR) and diffusion-based language generation within a continuous evolutionary generative framework. Rather than treating AR decoding and diffusion generation as separate paradigms, Evo reconceptualizes text generation as a latent flow: each token is associated with a vector-valued embedding that evolves over a progression variable $t_i \in [0, 1]$, indicating its semantic maturity. Low $t_i$ values correspond to confident AR-like refinement, while high values invoke diffusion-style planning, allowing the model to adaptively balance AR and diffusion based on uncertainty. Theoretically, we show that both AR and diffusion models emerge as discretizations of a shared probability flow, and we derive Evo's training objective from a unified variational ELBO. The model is implemented as a time-conditioned Transformer governed by a shared vector field, trained end-to-end to jointly infer latent codes and their progression times. During decoding, Evo performs efficient, semantics-aware refinement, achieving high-quality outputs without sacrificing speed. Empirically, Evo 8B achieves state-of-the-art or highly competitive results on 15 diverse benchmarks, including reasoning (GSM8K, ARC-C), code generation (HumanEval, MBPP), and general language understanding, while maintaining fast inference speed. Our results demonstrate that Evo delivers a new paradigm for LLM design with strong generation quality, robust symbolic reasoning, and decoding efficiency.

Distilling and Adapting: A Topology-Aware Framework for Zero-Shot Interaction Prediction in Multiplex Biological Networks

arXiv:2603.06618v1 Announce Type: cross Abstract: Multiplex Biological Networks (MBNs), which represent multiple interaction types between entities, are crucial for understanding complex biological systems. Yet, existing methods often inadequately model multiplexity, struggle to integrate structural and sequence information, and face difficulties in zero-shot prediction for unseen entities with no prior neighbourhood information. To address these limitations, we propose a novel framework for zero-shot interaction prediction in MBNs by leveraging context-aware representation learning and knowledge distillation. Our approach leverages domain-specific foundation models to generate enriched embeddings, introduces a topology-aware graph tokenizer to capture multiplexity and higher-order connectivity, and employs contrastive learning to align embeddings across modalities. A teacher-student distillation strategy further enables robust zero-shot generalization. Experimental results demonstrate that our framework outperforms state-of-the-art methods in interaction prediction for MBNs, providing a powerful tool for exploring various biological interactions and advancing personalized therapeutics.

CCR-Bench: A Comprehensive Benchmark for Evaluating LLMs on Complex Constraints, Control Flows, and Real-World Cases

arXiv:2603.07886v1 Announce Type: cross Abstract: Enhancing the ability of large language models (LLMs) to follow complex instructions is critical for their deployment in real-world applications. However, existing evaluation methods often oversimplify instruction complexity as a mere additive combination of atomic constraints, failing to adequately capture the high-dimensional complexity arising from the intricate interplay of content and format, logical workflow control, and real-world applications. This leads to a significant gap between current evaluation practices and practical demands. To bridge this gap, we introduce CCR-Bench, a novel benchmark designed to assess LLMs' adherence to complex instructions. CCR-Bench is characterized by: (1) deep entanglement of content and formatting requirements in task specifications; (2) instructions that involve intricate task decomposition, conditional reasoning, and procedural planning; and (3) evaluation samples derived entirely from real-world industrial scenarios. Extensive experiments on CCR-Bench demonstrate that even state-of-the-art models exhibit substantial performance deficiencies, clearly quantifying the gap between current LLM capabilities and the demands of realworld instruction understanding. We believe that CCR-Bench offers a more rigorous and realistic evaluation framework, advancing the development of LLMs toward the next generation of models capable of understanding and executing complex tasks in industrial applications.

HarmonyCell: Automating Single-Cell Perturbation Modeling under Semantic and Distribution Shifts

arXiv:2603.01396v2 Announce Type: replace Abstract: Single-cell perturbation studies face dual heterogeneity bottlenecks: (i) semantic heterogeneity--identical biological concepts encoded under incompatible metadata schemas across datasets; and (ii) statistical heterogeneity--distribution shifts from biological variation demanding dataset-specific inductive biases. We propose HarmonyCell, an end-to-end agent framework resolving each challenge through a dedicated mechanism: an LLM-driven Semantic Unifier autonomously maps disparate metadata into a canonical interface without manual intervention; and an adaptive Monte Carlo Tree Search engine operates over a hierarchical action space to synthesize architectures with optimal statistical inductive biases for distribution shifts. Evaluated across diverse perturbation tasks under both semantic and distribution shifts, HarmonyCell achieves a 95% valid execution rate on heterogeneous input datasets (versus 0% for general agents) while matching or even exceeding expert-designed baselines in rigorous out-of-distribution evaluations. This dual-track orchestration enables scalable automatic virtual cell modeling without dataset-specific engineering.

Thickening-to-Thinning: Reward Shaping via Human-Inspired Learning Dynamics for LLM Reasoning

arXiv:2602.04265v2 Announce Type: replace-cross Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a promising paradigm for enhancing reasoning in Large Language Models (LLMs). However, it frequently encounters challenges such as entropy collapse, excessive verbosity, and insufficient exploration for hard problems. Crucially, existing reward schemes fail to distinguish between the need for extensive search during problem-solving and the efficiency required for mastered knowledge. In this work, we introduce T2T(Thickening-to-Thinning), a dynamic reward framework inspired by human learning processes. Specifically, it implements a dual-phase mechanism: (1) On incorrect attempts, T2T incentivizes "thickening" (longer trajectories) to broaden the search space and explore novel solution paths; (2) Upon achieving correctness, it shifts to "thinning", imposing length penalties to discourage redundancy, thereby fostering model confidence and crystallizing reasoning capabilities. Extensive experiments on mathematical benchmarks (MATH-500, AIME, AMC) across Qwen-series and Deepseek models demonstrate that T2T significantly outperforms standard GRPO and recent baselines, achieving superior performance.

Explainable Token-level Noise Filtering for LLM Fine-tuning Datasets

arXiv:2602.14536v2 Announce Type: replace-cross Abstract: Large Language Models (LLMs) have seen remarkable advancements, achieving state-of-the-art results in diverse applications. Fine-tuning, an important step for adapting LLMs to specific downstream tasks, typically involves further training on corresponding datasets. However, a fundamental discrepancy exists between current fine-tuning datasets and the token-level optimization mechanism of LLMs: most datasets are designed at the sentence-level, which introduces token-level noise, causing negative influence to final performance. In this paper, we propose XTF, an explainable token-level noise filtering framework. XTF decomposes the complex and subtle contributions of token-level data to the fine-tuning process into three distinct and explicit attributes (reasoning importance, knowledge novelty, and task relevance), which can be assessed using scoring methods, and then masks the gradients of selected noisy tokens accordingly to optimize the performance of fine-tuned LLMs. We conduct extensive experiments on three representative downstream tasks (math, code and medicine) across 7 mainstream LLMs. The results demonstrate that XTF can significantly improve downstream performance by up to 13.7% compared to regular fine-tuning. Our work highlights the importance of token-level dataset optimization, and demonstrates the potential of strategies based on attribute decomposition for explaining complex training mechanisms.

CryoNet.Refine: A One-step Diffusion Model for Rapid Refinement of Structural Models with Cryo-EM Density Map Restraints

arXiv:2602.22263v2 Announce Type: replace-cross Abstract: High-resolution structure determination by cryo-electron microscopy (cryo-EM) requires the accurate fitting of an atomic model into an experimental density map. Traditional refinement pipelines such as Phenix.real_space_refine and Rosetta are computationally expensive, demand extensive manual tuning, and present a significant bottleneck for researchers. We present CryoNet.Refine, an end-to-end deep learning framework that automates and accelerates molecular structure refinement. Our approach utilizes a one-step diffusion model that integrates a density-aware loss function with robust stereochemical restraints, enabling rapid optimization of a structure against experimental data. CryoNet.Refine provides a unified and versatile solution capable of refining protein complexes as well as DNA/RNA-protein complexes. In benchmarks against Phenix.real_space_refine, CryoNet.Refine consistently achieves substantial improvements in both model-map correlation and overall geometric quality metrics. By offering a scalable, automated, and powerful alternative, CryoNet.Refine aims to serve as an essential tool for next-generation cryo-EM structure refinement. Web server: https://cryonet.ai/refine; Source code: https://github.com/kuixu/cryonet.refine.

A benchmark for joint dialogue satisfaction, emotion recognition, and emotion state transition prediction

arXiv:2603.03327v1 Announce Type: cross Abstract: User satisfaction is closely related to enterprises, as it not only directly reflects users' subjective evaluation of service quality or products, but also affects customer loyalty and long-term business revenue. Monitoring and understanding user emotions during interactions helps predict and improve satisfaction. However, relevant Chinese datasets are limited, and user emotions are dynamic; relying on single-turn dialogue cannot fully track emotional changes across multiple turns, which may affect satisfaction prediction. To address this, we constructed a multi-task, multi-label Chinese dialogue dataset that supports satisfaction recognition, as well as emotion recognition and emotional state transition prediction, providing new resources for studying emotion and satisfaction in dialogue systems.

WebDS: An End-to-End Benchmark for Web-based Data Science

arXiv:2508.01222v2 Announce Type: replace-cross Abstract: Many real-world data science tasks involve complex web-based interactions: finding appropriate data available on the internet, synthesizing multimodal data from different locations, and producing summarized analyses. Existing web benchmarks often focus on simplistic interactions and often do not require diverse tool-using capabilities. Conversely, traditional data science benchmarks typically concentrate on static, highly structured datasets and do not assess end-to-end workflows that encompass data acquisition, cleaning, analysis, and insight generation. In response, we introduce WebDS, the first end-to-end web-based data science benchmark. It comprises 870 web-based data science tasks across 29 diverse websites from structured government data portals to unstructured news media, challenging agents to perform complex, multi-step, tool-based operations, across heterogeneous data formats, to better reflect the realities of modern data analytics. Evaluations of current SOTA LLM agents indicate significant performance gaps in accomplishing these tasks. For instance, Browser Use, which accomplishes $80\%$ of tasks on WebVoyager, completes only 15% of tasks in WebDS, which our analysis suggests is due to new failure modes, such as poor information grounding, repetitive behavior and shortcut-taking that agents performing WebDS's tasks display. By contrast, humans achieve around 90% accuracy, highlighting a substantial gap between current agents and human performance. By providing a more robust and realistic testing ground, WebDS sets the stage for significant advances in the development of practically useful LLM-based data science.

EnECG: Efficient Ensemble Learning for Electrocardiogram Multi-task Foundation Model

arXiv:2511.22935v2 Announce Type: replace-cross Abstract: Electrocardiogram (ECG) analysis plays a vital role in the early detection, monitoring, and management of various cardiovascular conditions. While existing models have achieved notable success in ECG interpretation, they fail to leverage the interrelated nature of various cardiac abnormalities. Conversely, developing a specific model capable of extracting all relevant features for multiple ECG tasks remains a significant challenge. Large-scale foundation models, though powerful, are not typically pretrained on ECG data, making full re-training or fine-tuning computationally expensive. To address these challenges, we propose EnECG(Mixture of Experts-based Ensemble Learning for ECG Multi-tasks), an ensemble-based framework that integrates multiple specialized foundation models, each excelling in different aspects of ECG interpretation. Instead of relying on a single model or single task, EnECG leverages the strengths of multiple specialized models to tackle a variety of ECG-based tasks. To mitigate the high computational cost of full re-training or fine-tuning, we introduce a lightweight adaptation strategy: attaching dedicated output layers to each foundation model and applying Low-Rank Adaptation (LoRA) only to these newly added parameters. We then adopt a Mixture of Experts (MoE) mechanism to learn ensemble weights, effectively combining the complementary expertise of individual models. Our experimental results demonstrate that by minimizing the scope of fine-tuning, EnECG can help reduce computational and memory costs while maintaining the strong representational power of foundation models. This framework not only enhances feature extraction and predictive performance but also ensures practical efficiency for real-world clinical applications. The code is available at https://github.com/yuhaoxu99/EnECG.git.

MIRAGE: Knowledge Graph-Guided Cross-Cohort MRI Synthesis for Alzheimer's Disease Prediction

arXiv:2603.02434v1 Announce Type: cross Abstract: Reliable Alzheimer's disease (AD) diagnosis increasingly relies on multimodal assessments combining structural Magnetic Resonance Imaging (MRI) and Electronic Health Records (EHR). However, deploying these models is bottlenecked by modality missingness, as MRI scans are expensive and frequently unavailable in many patient cohorts. Furthermore, synthesizing de novo 3D anatomical scans from sparse, high-dimensional tabular records is technically challenging and poses severe clinical risks. To address this, we introduce MIRAGE, a novel framework that reframes the missing-MRI problem as an anatomy-guided cross-modal latent distillation task. First, MIRAGE leverages a Biomedical Knowledge Graph (KG) and Graph Attention Networks to map heterogeneous EHR variables into a unified embedding space that can be propagated from cohorts with real MRIs to cohorts without them. To bridge the semantic gap and enforce physical spatial awareness, we employ a frozen pre-trained 3D U-Net decoder strictly as an auxiliary regularization engine. Supported by a novel cohort-aggregated skip feature compensation strategy, this decoder acts as a rigorous structural penalty, forcing 1D latent representations to encode biologically plausible, macro-level pathological semantics. By exclusively utilizing this distilled "diagnostic-surrogate" representation during inference, MIRAGE completely bypasses computationally expensive 3D voxel reconstruction. Experiments demonstrate that our framework successfully bridges the missing-modality gap, improving the AD classification rate by 13% compared to unimodal baselines in cohorts without real MRIs.

How Controllable Are Large Language Models? A Unified Evaluation across Behavioral Granularities

arXiv:2603.02578v1 Announce Type: cross Abstract: Large Language Models (LLMs) are increasingly deployed in socially sensitive domains, yet their unpredictable behaviors, ranging from misaligned intent to inconsistent personality, pose significant risks. We introduce SteerEval, a hierarchical benchmark for evaluating LLM controllability across three domains: language features, sentiment, and personality. Each domain is structured into three specification levels: L1 (what to express), L2 (how to express), and L3 (how to instantiate), connecting high-level behavioral intent to concrete textual output. Using SteerEval, we systematically evaluate contemporary steering methods, revealing that control often degrades at finer-grained levels. Our benchmark offers a principled and interpretable framework for safe and controllable LLM behavior, serving as a foundation for future research.
  • ✇cs.AI, q-bio.NC updates on arXiv.org
  • The Geometry of Learning Under AI Delegation Lingxiao Huang · Nisheeth K. Vishnoi
    arXiv:2603.02950v1 Announce Type: cross Abstract: As AI systems shift from tools to collaborators, a central question is how the skills of humans relying on them change over time. We study this question mathematically by modeling the joint evolution of human skill and AI delegation as a coupled dynamical system. In our model, delegation adapts to relative performance, while skill improves through use and decays under non-use; crucially, both updates arise from optimizing a single performance me
     

The Geometry of Learning Under AI Delegation

arXiv:2603.02950v1 Announce Type: cross Abstract: As AI systems shift from tools to collaborators, a central question is how the skills of humans relying on them change over time. We study this question mathematically by modeling the joint evolution of human skill and AI delegation as a coupled dynamical system. In our model, delegation adapts to relative performance, while skill improves through use and decays under non-use; crucially, both updates arise from optimizing a single performance metric measuring expected task error. Despite this local alignment, adaptive AI use fundamentally alters the global stability structure of human skill acquisition. Beyond the high-skill equilibrium of human-only learning, the system admits a *stable* low-skill equilibrium corresponding to persistent reliance, separated by a sharp basin boundary that makes early decisions effectively irreversible under the induced dynamics. We further show that AI assistance can strictly improve short-run performance while inducing persistent long-run performance loss relative to the no-AI baseline, driven by a negative feedback between delegation and practice. We characterize how AI quality deforms the basin boundary and show that these effects are robust to noise and asymmetric trust updates. Our results identify stability, not incentives or misalignment, as the central mechanism by which AI assistance can undermine long-run human performance and skill.
  • ✇cs.AI, q-bio.NC updates on arXiv.org
  • Delegation and Verification Under AI Lingxiao Huang · Wenyang Xiao · Nisheeth K. Vishnoi
    arXiv:2603.02961v1 Announce Type: cross Abstract: As AI systems enter institutional workflows, workers must decide whether to delegate task execution to AI and how much effort to invest in verifying AI outputs, while institutions evaluate workers using outcome-based standards that may misalign with workers' private costs. We model delegation and verification as the solution to a rational worker's optimization problem, and define worker quality by evaluating an institution-centered utility (dist
     

Delegation and Verification Under AI

arXiv:2603.02961v1 Announce Type: cross Abstract: As AI systems enter institutional workflows, workers must decide whether to delegate task execution to AI and how much effort to invest in verifying AI outputs, while institutions evaluate workers using outcome-based standards that may misalign with workers' private costs. We model delegation and verification as the solution to a rational worker's optimization problem, and define worker quality by evaluating an institution-centered utility (distinct from the worker's objective) at the resulting optimal action. We formally characterize optimal worker workflows and show that AI induces *phase transitions*, where arbitrarily small differences in verification ability lead to sharply different behaviors. As a result, AI can amplify workers with strong verification reliability while degrading institutional worker quality for others who rationally over-delegate and reduce oversight, even when baseline task success improves and no behavioral biases are present. These results identify a structural mechanism by which AI reshapes institutional worker quality and amplifies quality disparities between workers with different verification reliability.

Channel-Adaptive Edge AI: Maximizing Inference Throughput by Adapting Computational Complexity to Channel States

arXiv:2603.03146v1 Announce Type: cross Abstract: \emph{Integrated communication and computation} (IC$^2$) has emerged as a new paradigm for enabling efficient edge inference in sixth-generation (6G) networks. However, the design of IC$^2$ technologies is hindered by the lack of a tractable theoretical framework for characterizing \emph{end-to-end} (E2E) inference performance. The metric is highly complicated as it needs to account for both channel distortion and artificial intelligence (AI) model architecture and computational complexity. In this work, we address this challenge by developing a tractable analytical model for E2E inference accuracy and leveraging it to design a \emph{channel-adaptive AI} algorithm that maximizes inference throughput, referred to as the edge processing rate (EPR), under latency and accuracy constraints. Specifically, we consider an edge inference system in which a server deploys a backbone model with early exit, which enables flexible computational complexity, to perform inference on data features transmitted by a mobile device. The proposed accuracy model characterizes high-dimensional feature distributions in the angular domain using a Mixture of von Mises (MvM) distribution. This leads to a desired closed-form expression for inference accuracy as a function of quantization bit-width and model traversal depth, which represents channel distortion and computational complexity, respectively. Building upon this accuracy model, we formulate and solve the EPR maximization problem under joint latency and accuracy constraints, leading to a channel-adaptive AI algorithm that achieves full IC$^2$ integration. The proposed algorithm jointly adapts transmit-side feature compression and receive-side model complexity according to channel conditions to maximize overall efficiency and inference throughput. Experimental results demonstrate its superior performance as compared with fixed-complexity counterparts.

Nano-EmoX: Unifying Multimodal Emotional Intelligence from Perception to Empathy

arXiv:2603.02123v2 Announce Type: replace Abstract: The development of affective multimodal language models (MLMs) has long been constrained by a gap between low-level perception and high-level interaction, leading to fragmented affective capabilities and limited generalization. To bridge this gap, we propose a cognitively inspired three-level hierarchy that organizes affective tasks according to their cognitive depth-perception, understanding, and interaction-and provides a unified conceptual foundation for advancing affective modeling. Guided by this hierarchy, we introduce Nano-EmoX, a small-scale multitask MLM, and P2E (Perception-to-Empathy), a curriculum-based training framework. Nano-EmoX integrates a suite of omni-modal encoders, including an enhanced facial encoder and a fusion encoder, to capture key multimodal affective cues and improve cross-task transferability. The outputs are projected into a unified language space via heterogeneous adapters, empowering a lightweight language model to tackle diverse affective tasks. Concurrently, P2E progressively cultivates emotional intelligence by aligning rapid perception with chain-of-thought-driven empathy. To the best of our knowledge, Nano-EmoX is the first compact MLM (2.2B) to unify six core affective tasks across all three hierarchy levels, achieving state-of-the-art or highly competitive performance across multiple benchmarks, demonstrating excellent efficiency and generalization.

xLLM Technical Report

arXiv:2510.14686v2 Announce Type: replace-cross Abstract: We introduce xLLM, an intelligent and efficient Large Language Model (LLM) inference framework designed for high-performance, large-scale enterprise-grade serving, with deep optimizations for diverse AI accelerators. To address these challenges, xLLM builds a novel decoupled service-engine architecture. At the service layer, xLLM-Service features an intelligent scheduling module that efficiently processes multimodal requests and co-locates online and offline tasks through unified elastic scheduling to maximize cluster utilization. This module also relies on a workload-adaptive dynamic Prefill-Decode (PD) disaggregation policy and a novel Encode-Prefill-Decode (EPD) disaggregation policy designed for multimodal inputs. Furthermore, it incorporates a distributed architecture to provide global KV Cache management and robust fault-tolerant capabilities for high availability. At the engine layer, xLLM-Engine co-optimizes system and algorithm designs to fully saturate computing resources. This is achieved through comprehensive multi-layer execution pipeline optimizations, an adaptive graph mode and an xTensor memory management. xLLM-Engine also further integrates algorithmic enhancements such as optimized speculative decoding and dynamic EPLB, collectively serving to substantially boost throughput and inference efficiency. Extensive evaluations demonstrate that xLLM delivers significantly superior performance and resource efficiency. Under identical TPOT constraints, xLLM achieves throughput up to 1.7x that of MindIE and 2.2x that of vLLM-Ascend with Qwen-series models, while maintaining an average throughput of 1.7x that of MindIE with Deepseek-series models. xLLM framework is publicly available at https://github.com/jd-opensource/xllm and https://github.com/jd-opensource/xllm-service.

FastCode: Fast and Cost-Efficient Code Understanding and Reasoning

arXiv:2603.01012v2 Announce Type: replace-cross Abstract: Repository-scale code reasoning is a cornerstone of modern AI-assisted software engineering, enabling Large Language Models (LLMs) to handle complex workflows from program comprehension to complex debugging. However, balancing accuracy with context cost remains a significant bottleneck, as existing agentic approaches often waste computational resources through inefficient, iterative full-text exploration. To address this, we introduce FastCode, a framework that decouples repository exploration from content consumption. FastCode utilizes a structural scouting mechanism to navigate a lightweight semantic-structural map of the codebase, allowing the system to trace dependencies and pinpoint relevant targets without the overhead of full-text ingestion. By leveraging structure-aware navigation tools regulated by a cost-aware policy, the framework constructs high-value contexts in a single, optimized step. Extensive evaluations on the SWE-QA, LongCodeQA, LOC-BENCH, and GitTaskBench benchmarks demonstrate that FastCode consistently outperforms state-of-the-art baselines in reasoning accuracy while significantly reducing token consumption, validating the efficiency of scouting-first strategies for large-scale code reasoning. Source code is available at https://github.com/HKUDS/FastCode.

AgentCAT: An LLM Agent for Extracting and Analyzing Catalytic Reaction Data from Chemical Engineering Literature

arXiv:2602.18479v1 Announce Type: cross Abstract: This paper presents a large language model (LLM) agent named AgentCAT, which extracts and analyzes catalytic reaction data from chemical engineering papers, %and supports natural language based interactive analysis of the extracted data. AgentCAT serves as an alternative to overcome the long-standing data bottleneck in chemical engineering field, and its natural language based interactive data analysis functionality is friendly to the community. AgentCAT also presents a formal abstraction and challenge analysis of the catalytic reaction data extraction task in an artificial intelligence-friendly manner. This abstraction would help the artificial intelligence community understand this problem and in turn would attract more attention to address it. Technically, the complex catalytic process leads to complicated dependency structure in catalytic reaction data with respect to elementary reaction steps, molecular behaviors, measurement evidence, etc. This dependency structure makes it challenging to guarantee the correctness and completeness of data extraction, as well as representing them for analysis. AgentCAT addresses this challenge and it makes four folds of technical contributions: (1) a schema-governed extraction pipeline with progressive schema evolution, enabling robust data extraction from chemical engineering papers; (2) a dependency-aware reaction-network knowledge graph that links catalysts/active sites, synthesis-derived descriptors, mechanistic claims with evidence, and macroscopic outcomes, preserving process coupling and traceability; (3) a general querying module that supports natural-language exploration and visualization over the constructed graph for cross-paper analysis; (4) an evaluation on $\sim$800 peer-reviewed chemical engineering publications demonstrating the effectiveness of AgentCAT.
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