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Kun Peng

Publications and source records attributed to Kun Peng.

18 recordsLinked to original sources
arXiv2026

MOF-Sleuth: Tool-Grounded Reward Alignment for Explainable Fine-Grained MOF CIF Auditing

Large metal-organic framework (MOF) databases support simulation, screening, and machine learning through crystallographic information files (CIFs). Subtle chemical and structural errors in these inputs can compromise downstream results and hinder manual inspection. LLM advances in computational chemistry offer paths beyond predictive screening toward fine-grained diagnosis with evidence-grounded explanations. However, two challenges remain: (i) limited fine-grained attribution: MOF-specific validators and machine-learning models scale detection but provide fixed checks, readiness scores, or coarse labels rather than evidence-grounded explanations; and (ii) unreliable CIF reasoning: direct LLM auditing is costly and unreliable because chemical evidence is implicit across atom-site records and requires geometric, connectivity, occupancy, and charge calculations. Both stem from weak coupling between chemical evidence and language-model explanation. We introduce MOF-Sleuth, a reinforcement-guided CIF auditing agent with two modules: a deterministic Forensic Lab and a Sleuth reasoning engine. The Lab derives composition, geometry, connectivity, occupancy, coordination, and charge evidence, and Sleuth uses this evidence to produce an evidence-grounded explanation, error types, and a binary decision. Reward-guided reinforcement learning (RL) turns tool measurements into chemical explanation-level supervision, rewarding not only the final answer but also cited chemical evidence and evidence-supported diagnoses. We introduce Chemically Grounded Diagnosis (Chem-GD), a metric that assesses whether a correct diagnosis is explained by factual, relevant CIF-derived evidence. Across four benchmarks, MOF-Sleuth establishes state-of-the-art performance among LLM-based approaches and MOF-specific machine-learning methods, demonstrating gains in detection, attribution, and grounded explanation quality.

cs.AI↗
arXiv2026

When the Same Musical Knowledge Forgets Differently: A Clean Probe of Pathway-Dependent Forgetting

A model can learn that the piano piece F\"ur Elise is calm and reflective by listening to the audio or by reading a text description, but does it matter which route that knowledge took when it is later at risk of being forgotten? Forgetting research in multimodal models measures what knowledge is lost under adaptation, yet has not asked whether acquisition route affects how easily that knowledge is forgotten. We call this untested premise the Pathway-Invariant Assumption. Music understanding enables a clean test because a music clip and a canonical text description can be aligned to the same perceptual content, allowing the same knowledge unit to enter a model through listening or reading while the target remains fixed. Across multiple architecturally distinct audio-language models, we observe a consistent asymmetry: text-pathway knowledge is forgotten more than matched audio-pathway knowledge under identical adaptation pressure. To attribute this effect to route rather than confounds, we introduce the Paired Pathway Controlled Protocol (PPCP), a three-phase design that establishes matched pathway baselines, activates both pathways under symmetric supervision on the same knowledge pool, and applies identical forgetting pressure to both pathways. The gap is stable across models and gain-controlled analyses, persists when contradictory overwrite is replaced by correct-label cross-domain learning, remains under single-modality pressure, and is not removed by lightweight replay. Two independent routing-depth controls confirm that the effect is not explained by architectural depth, pointing to input representation as the dominant factor. Under PPCP, our results demonstrate that forgetting is highly route-dependent, establishing acquisition route as a new analytical dimension for forgetting research and multimodal system design.

cs.SD↗
arXiv2026

GrowLoop: Self-Evolving Conversation Evaluation Seeded by Human

With the rapid advancement of large language models, evaluating human-likeness in open-ended conversation has become increasingly important. However, human-likeness is a form of tacit knowledge that humans perceive intuitively, yet the underlying criteria resist explicit formulation. Human judgments vary widely, with strong agreement on some cases and legitimate disagreement on others. Meanwhile, the criteria behind human judgments remain implicit, leaving no clear basis for constructing cases. Further, what counts as human-likeness is not static, but evolving with model capability and human expectations. Despite progress in evaluation methods such as expert-authored benchmarks, Reward Models, and self-evolving benchmarks, none addresses all three challenges simultaneously. Therefore, we propose GrowLoop, a self-evolving conversation evaluation system that continuously adapts as models advance and scenarios shift. Starting from minimal human seed annotations, LLM agents iteratively extract and refine evaluation rubrics through Heuristic Learning. Human-AI agreement is required where annotators converge, while only plausibility is expected where they diverge. Moreover, the Rubric-Case co-evolution mechanism enables continuous evolution. When the evaluation target shifts, new human seeds expand the system's coverage accordingly. When applied to human-likeness evaluation in open-ended conversation, the AI judge guided by these rubrics not only substantially outperforms existing methods in alignment with human judgments, but also uncovers issues that annotators overlook. The resulting benchmark effectively discriminates models across capability tiers and reveals where they fall short, while generalizing to new scenarios and adapting as models advance. Our work shifts the benchmarking paradigm from manual updates or difficulty scaling to comprehensive, continuous self-evolution.

cs.CL↗
arXiv2026

Trans-RAG: Query-Centric Vector Transformation for Secure Cross-Organizational Retrieval

Retrieval Augmented Generation (RAG) systems deployed across organizational boundaries face fundamental tensions between security, accuracy, and efficiency. Current encryption methods expose plaintext during decryption, while federated architectures prevent resource integration and incur substantial overhead. We introduce Trans-RAG, implementing a novel vector space language paradigm where each organization's knowledge exists in a mathematically isolated semantic space. At the core lies vector2Trans, a multi-stage transformation technique that enables queries to dynamically "speak" each organization's vector space "language" through query-centric transformations, eliminating decryption overhead while maintaining native retrieval efficiency. Security evaluations demonstrate near-orthogonal vector spaces with 89.90{\deg} angular separation and 99.81% isolation rates. Experiments across 8 retrievers, 3 datasets, and 3 LLMs show minimal accuracy degradation (3.5% decrease in nDCG@10) and significant efficiency improvements over homomorphic encryption.

cs.CR↗
arXiv2026

Dialogue Model Optimization via Agent Game and Adaptive Tree-based GRPO

Open-ended dialogue agents aim to deliver engaging, personalized interactions by adapting to users' traits, but existing methods face critical limitations: over-reliance on pre-collected user data, and short-horizon biases in reinforcement learning (RL) that neglect long-term dialogue value. To address these, we propose a novel long-horizon RL framework integrating online personalization with Adaptive Tree-based Group Relative Policy Optimization (AT-GRPO). Adopting a two-agent game paradigm, a user agent constructs dynamic environments via style mimicry (learning user-specific conversational traits) and active termination (predicting turn-level termination probabilities as immediate rewards), forming an iterative cycle that drives the dialogue agent to deepen interest exploration. AT-GRPO reinterprets dialogue trajectories as trees and introduces adaptive observation ranges. Unlike full tree expansion that incurs exponential overhead, it limits each node to aggregate rewards from a stage-aware range: larger ranges support early-stage topic exploration, while smaller ranges facilitate late-stage dialogue maintenance. This design reduces rollout budgets from exponential to polynomial in the dialogue length, while preserving long-term reward capture. Extensive experiments show our framework's superior performance, sample efficiency, and robustness.

cs.AI↗
arXiv2026

PRISMA: Reinforcement Learning Guided Two-Stage Policy Optimization in Multi-Agent Architecture for Open-Domain Multi-Hop Question Answering

Answering real-world open-domain multi-hop questions over massive corpora is a critical challenge in Retrieval-Augmented Generation (RAG) systems. Recent research employs reinforcement learning (RL) to end-to-end optimize the retrieval-augmented reasoning process, directly enhancing its capacity to resolve complex queries. However, reliable deployment is hindered by two obstacles. 1) Retrieval Collapse: iterative retrieval over large corpora fails to locate intermediate evidence containing bridge answers without reasoning-guided planning, causing downstream reasoning to collapse. 2) Learning Instability: end-to-end trajectory training suffers from weak credit assignment across reasoning chains and poor error localization across modules, causing overfitting to benchmark-specific heuristics that limit transferability and stability. To address these problems, we propose PRISMA, a decoupled RL-guided framework featuring a Plan-Retrieve-Inspect-Solve-Memoize architecture. PRISMA's strength lies in reasoning-guided collaboration: the Inspector provides reasoning-based feedback to refine the Planner's decomposition and fine-grained retrieval, while enforcing evidence-grounded reasoning in the Solver. We optimize individual agent capabilities via Two-Stage Group Relative Policy Optimization (GRPO). Stage I calibrates the Planner and Solver as specialized experts in planning and reasoning, while Stage II utilizes Observation-Aware Residual Policy Optimization (OARPO) to enhance the Inspector's ability to verify context and trigger targeted recovery. Experiments show that PRISMA achieves state-of-the-art performance on ten benchmarks and can be deployed efficiently in real-world scenarios.

cs.AI↗
arXiv2025

EASL: Multi-Emotion Guided Semantic Disentanglement for Expressive Sign Language Generation

Large language models have revolutionized sign language generation by automatically transforming text into high-quality sign language videos, providing accessible communication for the Deaf community. However, existing LLM-based approaches prioritize semantic accuracy while overlooking emotional expressions, resulting in outputs that lack naturalness and expressiveness. We propose EASL (Emotion-Aware Sign Language), a multi-emotion-guided generation architecture for fine-grained emotional integration. We introduce emotion-semantic disentanglement modules with progressive training to separately extract semantic and affective features. During pose decoding, the emotional representations guide semantic interaction to generate sign poses with 7-class emotion confidence scores, enabling emotional expression recognition. Experimental results demonstrate that EASL achieves pose accuracy superior to all compared baselines by integrating multi-emotion information and effectively adapts to diffusion models to generate expressive sign language videos.

cs.CV↗
arXiv2025

Emotion Transfer with Enhanced Prototype for Unseen Emotion Recognition in Conversation

Current Emotion Recognition in Conversation (ERC) research follows a closed-domain assumption. However, there is no clear consensus on emotion classification in psychology, which presents a challenge for models when it comes to recognizing previously unseen emotions in real-world applications. To bridge this gap, we introduce the Unseen Emotion Recognition in Conversation (UERC) task for the first time and propose ProEmoTrans, a solid prototype-based emotion transfer framework. This prototype-based approach shows promise but still faces key challenges: First, implicit expressions complicate emotion definition, which we address by proposing an LLM-enhanced description approach. Second, utterance encoding in long conversations is difficult, which we tackle with a proposed parameter-free mechanism for efficient encoding and overfitting prevention. Finally, the Markovian flow nature of emotions is hard to transfer, which we address with an improved Attention Viterbi Decoding (AVD) method to transfer seen emotion transitions to unseen emotions. Extensive experiments on three datasets show that our method serves as a strong baseline for preliminary exploration in this new area.

cs.CL↗
arXiv2025

OPERA: A Reinforcement Learning--Enhanced Orchestrated Planner-Executor Architecture for Reasoning-Oriented Multi-Hop Retrieval

Recent advances in large language models (LLMs) and dense retrievers have driven significant progress in retrieval-augmented generation (RAG). However, existing approaches face significant challenges in complex reasoning-oriented multi-hop retrieval tasks: 1) Ineffective reasoning-oriented planning: Prior methods struggle to generate robust multi-step plans for complex queries, as rule-based decomposers perform poorly on out-of-template questions. 2) Suboptimal reasoning-driven retrieval: Related methods employ limited query reformulation, leading to iterative retrieval loops that often fail to locate golden documents. 3) Insufficient reasoning-guided filtering: Prevailing methods lack the fine-grained reasoning to effectively filter salient information from noisy results, hindering utilization of retrieved knowledge. Fundamentally, these limitations all stem from the weak coupling between retrieval and reasoning in current RAG architectures. We introduce the Orchestrated Planner-Executor Reasoning Architecture (OPERA), a novel reasoning-driven retrieval framework. OPERA's Goal Planning Module (GPM) decomposes questions into sub-goals, which are executed by a Reason-Execute Module (REM) with specialized components for precise reasoning and effective retrieval. To train OPERA, we propose Multi-Agents Progressive Group Relative Policy Optimization (MAPGRPO), a novel variant of GRPO. Experiments on complex multi-hop benchmarks show OPERA's superior performance, validating both the MAPGRPO method and OPERA's design.

cs.IR↗
arXiv2025

Dialogues Aspect-based Sentiment Quadruple Extraction via Structural Entropy Minimization Partitioning

Dialogues Aspect-based Sentiment Quadruple Extraction (DiaASQ) aims to extract all target-aspect-opinion-sentiment quadruples from a given multi-round, multi-participant dialogue. Existing methods typically learn word relations across entire dialogues, assuming a uniform distribution of sentiment elements. However, we find that dialogues often contain multiple semantically independent sub-dialogues without clear dependencies between them. Therefore, learning word relationships across the entire dialogue inevitably introduces additional noise into the extraction process. To address this, our method focuses on partitioning dialogues into semantically independent sub-dialogues. Achieving completeness while minimizing these sub-dialogues presents a significant challenge. Simply partitioning based on reply relationships is ineffective. Instead, we propose utilizing a structural entropy minimization algorithm to partition the dialogues. This approach aims to preserve relevant utterances while distinguishing irrelevant ones as much as possible. Furthermore, we introduce a two-step framework for quadruple extraction: first extracting individual sentiment elements at the utterance level, then matching quadruples at the sub-dialogue level. Extensive experiments demonstrate that our approach achieves state-of-the-art performance in DiaASQ with much lower computational costs.

cs.CL↗
arXiv2025

Electric-field Quantum Sensing Exploiting a Photogenerated Charge-transfer Triplet State in a Molecular Semiconductor

Molecular spin systems are promising platforms for quantum sensing due to their chemically tunable Hamiltonians, enabling tailored coherence properties and interactions with external fields. However, electric field sensing remains challenging owing to typically weak spin-electric coupling (SEC) and limited directional sensitivity. Addressing these issues using heavy atoms exhibiting strong atomic spin-orbit couplings (SOC) often compromises spin coherence times. Here, we demonstrate coherent electric field sensing using a photogenerated charge-transfer (CT) spin triplet state in the organic molecule ACRSA (10-phenyl-10H,10' H-spiro\[acridine-9,9'-anthracen]-10'-one). By embedding electric field pulses within a Hahn echo sequence, we coherently manipulate the spin triplet and extract both the magnitude and directional dependence of its SEC. The measured SEC strength is approximately 0.51 Hz/(V/m), comparable to values reported in systems with strong atomic SOC, illustrating that heavy atoms are not a prerequisite for electric-field sensitivity of spin states. Our findings position organic CT triplets as chemically versatile and directionally sensitive quantum sensors of E-fields that function without atomic-SOC-mediated mechanisms.

quant-ph↗
arXiv2025

T-T: Table Transformer for Tagging-based Aspect Sentiment Triplet Extraction

Aspect sentiment triplet extraction (ASTE) aims to extract triplets composed of aspect terms, opinion terms, and sentiment polarities from given sentences. The table tagging method is a popular approach to addressing this task, which encodes a sentence into a 2-dimensional table, allowing for the tagging of relations between any two words. Previous efforts have focused on designing various downstream relation learning modules to better capture interactions between tokens in the table, revealing that a stronger capability to capture relations can lead to greater improvements in the model. Motivated by this, we attempt to directly utilize transformer layers as downstream relation learning modules. Due to the powerful semantic modeling capability of transformers, it is foreseeable that this will lead to excellent improvement. However, owing to the quadratic relation between the length of the table and the length of the input sentence sequence, using transformers directly faces two challenges: overly long table sequences and unfair local attention interaction. To address these challenges, we propose a novel Table-Transformer (T-T) for the tagging-based ASTE method. Specifically, we introduce a stripe attention mechanism with a loop-shift strategy to tackle these challenges. The former modifies the global attention mechanism to only attend to a 2-dimensional local attention window, while the latter facilitates interaction between different attention windows. Extensive and comprehensive experiments demonstrate that the T-T, as a downstream relation learning module, achieves state-of-the-art performance with lower computational costs.

cs.CL↗
arXiv2024

Mott Gap Softening Coinciding with Spin Correlations Collapse in a-RuCl3

The Mott insulator a-RuCl3, featuring the intertwined interplay of spin-orbit coupling (SOC) and Kitaev spin correlations, provides an unparalleled platform for probing quantum many-body physics. Using scanning tunneling microscopy/spectroscopy (STM/STS), we compare temperature-dependent dI/dV spectra between in-situ grown monolayers and exfoliated bulk samples. Both systems exhibit pronounced Mott gap softening near 110 K, manifested by spectral weight transfer from Hubbard bands toward the Fermi level, resulting in low-energy correlated charge delocalization. Although this gap softening coincides with Kitaev paramagnetic and structural phase transitions in bulk crystals, monolayer studies provide compelling insights. By eliminating structural phase transition in monolayer sample, we suggest that spin correlations, rather than Coulomb interactions alone, may govern charge dynamics within the Mott-Hubbard framework, challenging conventional Mott-Hubbard paradigms. These results resolve a long-standing controversy regarding the Mott gap magnitude in a-RuCl3 and experimentally confirm the critical role of spin correlations in Mott physics.

cond-mat.str-el↗
arXiv2024

Table-Filling via Mean Teacher for Cross-domain Aspect Sentiment Triplet Extraction

Cross-domain Aspect Sentiment Triplet Extraction (ASTE) aims to extract fine-grained sentiment elements from target domain sentences by leveraging the knowledge acquired from the source domain. Due to the absence of labeled data in the target domain, recent studies tend to rely on pre-trained language models to generate large amounts of synthetic data for training purposes. However, these approaches entail additional computational costs associated with the generation process. Different from them, we discover a striking resemblance between table-filling methods in ASTE and two-stage Object Detection (OD) in computer vision, which inspires us to revisit the cross-domain ASTE task and approach it from an OD standpoint. This allows the model to benefit from the OD extraction paradigm and region-level alignment. Building upon this premise, we propose a novel method named \textbf{T}able-\textbf{F}illing via \textbf{M}ean \textbf{T}eacher (TFMT). Specifically, the table-filling methods encode the sentence into a 2D table to detect word relations, while TFMT treats the table as a feature map and utilizes a region consistency to enhance the quality of those generated pseudo labels. Additionally, considering the existence of the domain gap, a cross-domain consistency based on Maximum Mean Discrepancy is designed to alleviate domain shift problems. Our method achieves state-of-the-art performance with minimal parameters and computational costs, making it a strong baseline for cross-domain ASTE.

cs.CL↗
arXiv2024

Quantum spin driven Yu-Shiba-Rusinov multiplets and fermion-parity-preserving phase transition in K$_3$C$_{60}$

Magnetic impurities in superconductors are of increasing interest due to emergent Yu-Shiba-Rusinov (YSR) states and Majorana zero modes for fault-tolerant quantum computation. However, a direct relationship between the YSR multiple states and magnetic anisotropy splitting of quantum impurity spins remains poorly characterized. By using scanning tunneling microscopy, we resolve systematically individual transition-metal (Fe, Cr and Ni) impurities induced YSR multiplets as well as their Zeeman effects in K$_3$C$_{60}$ superconductor. The YSR multiplets show identical $d$ orbital-like wave functions that are symmetry-mismatched to the threefold K$_3$C$_{60}$(111) host surface, breaking point-group symmetries of the spatial distribution of YSR bound states in real space. Remarkably, we identify an unprecedented fermion-parity-preserving quantum phase transition between ground states with opposite signs of the uniaxial magnetic anisotropy that can be manipulated by an external magnetic field. These findings can be readily understood in terms of anisotropy splitting of quantum impurity spins, and thus elucidate the intricate interplay between the magnetic anisotropy and YSR multiplets.

cond-mat.supr-con↗
arXiv2023

Prompt Based Tri-Channel Graph Convolution Neural Network for Aspect Sentiment Triplet Extraction

Aspect Sentiment Triplet Extraction (ASTE) is an emerging task to extract a given sentence's triplets, which consist of aspects, opinions, and sentiments. Recent studies tend to address this task with a table-filling paradigm, wherein word relations are encoded in a two-dimensional table, and the process involves clarifying all the individual cells to extract triples. However, these studies ignore the deep interaction between neighbor cells, which we find quite helpful for accurate extraction. To this end, we propose a novel model for the ASTE task, called Prompt-based Tri-Channel Graph Convolution Neural Network (PT-GCN), which converts the relation table into a graph to explore more comprehensive relational information. Specifically, we treat the original table cells as nodes and utilize a prompt attention score computation module to determine the edges' weights. This enables us to construct a target-aware grid-like graph to enhance the overall extraction process. After that, a triple-channel convolution module is conducted to extract precise sentiment knowledge. Extensive experiments on the benchmark datasets show that our model achieves state-of-the-art performance. The code is available at https://github.com/KunPunCN/PT-GCN.

cs.CL↗
arXiv2021

Oxygen adsorption induced superconductivity in ultrathin FeTe film on SrTiO3(001)

The phenomenon of oxygen incorporation induced superconductivity in iron telluride (Fe1+yTe, with antiferromagnetic (AFM) orders) is intriguing and quite different from the case of FeSe. Until now, the microscopic origin of the induced superconductivity and the role of oxygen are far from clear. Here, by combining in-situ scanning tunneling microscopy/spectroscopy (STM/STS) and x-ray photoemission spectroscopy (XPS) on oxygenated FeTe, we found physically adsorbed O2 molecules crystallized into c(2/3x2) structure as an oxygen overlayer at low temperature, which was vital for superconductivity. The O2 overlayer were not epitaxial on the FeTe lattice, which implied weak O2-FeTe interaction but strong molecular interactions. Energy shift observed in the STS and XPS measurements indicated hole doping effect from the O2 overlayer to the FeTe layer, leading to a superconducting gap of 4.5 meV opened across the Fermi level. Our direct microscopic probe clarified the role of oxygen on FeTe and emphasized the importance of charge transfer effect to induce superconductivity in iron-chalcogenide thin films.

cond-mat.supr-con↗
arXiv2011

Failure of A Mix Network

A mix network by Wikstrom fails in correctness, provable privacy and soundness. Its claimed advantages in security and efficiency are compromised. The analysis in this paper illustrates that although the first two failures may be fixed by modifying the shuffling protocol, the last one is too serious to fix at a tolerable cost. Especially, an attack is proposed to show how easily soundness of the shuffling scheme can be compromised. Moreover, the most surprising discovery in this paper is that it is formally illustrated that in practice it is impossible to fix soundness of the shuffling scheme by Wikstrom.

cs.CR↗