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Shan Zhang

Publications and source records attributed to Shan Zhang.

At least 19 recordsLinked to original sources

Gate-tunable superconductor-semiconductor coupling and its impact on zero-energy modes in PbTe-Pb nanowires

Superconductor-semiconductor coupling in hybrid nanowires plays a pivotal role in Majorana devices. Here, we demonstrate this tunable coupling in PbTe-Pb nanowires and its impact on the induced gap and zero-bias peaks (ZBPs). In the strong coupling regime, the device reveals a clean superconducting gap, where robust and non-robust ZBPs are observed in distinct magnetic field ranges. Conversely, increasing the gate voltage drives the system toward the weak coupling regime, where the gap becomes narrow and soft. Consequently, robust ZBPs disappear while non-robust ones persist. Our results establish a direct link between tunable coupling and robust ZBPs, providing guidelines on engineering Majorana zero modes and topological qubits.

cond-mat.mes-hall↗

Beyond Action Prediction: Learning Search-Free Planning in Latent Space

Latent world models learn action-conditioned state transitions in a compact representation space, providing a predictive model for visual planning and control. However, planning with these models typically requires costly test-time optimization over action sequences. We propose to replace this online search with a goal-conditioned inverse model that directly predicts actions from current and goal observations. A key challenge is that action prediction alone neither ensures that goal representations encode action-relevant information nor that predicted actions are consistent with the learned latent prediction model. We introduce Hindsight Inverse JEPA Planning (HIJP), a search-free framework that addresses both aspects during training. HIJP relabels future observations along offline trajectories as goals, providing action supervision across multiple temporal horizons. By retaining gradients through the goal representations, this supervision directly shapes the visual representation. HIJP further feeds predicted actions into the latent predictor model and aligns the resulting next-state representations with encoded successor observations, enforcing action-transition consistency. At inference time, the inverse dynamics model and latent predictor models are applied alternately to generate multi-step action sequences without online search. Across four visual control tasks, HIJP achieves 86.8% overall success and a 1.9-16.5x planning speedup over search-based planning.

cs.RO↗

Knowledge-Guided Construction of Machine Learning Potentials for Reactive Behavior in Energetic Materials

Energetic materials involve multiple interactions, making reliable machine-learning potentials (MLPs) difficult to construct without extensive datasets. Here, we enhance the ability of the neural network interatomic potential (NNAP) to describe molecular systems using sphmulti, a refined spherical-harmonic basis set that combines extra radial basis with element-specific chemical weighting in each radial channel. We further integrate hyperactive learning, farthest-point sampling, and iterative sufficiency criteria with knowledge-guided key events, enabling the NNAP to retain essential information for describing the material system. For 3,3'-diamino-4,4'-azoxyfurazan, the resulting NNAP is trained on only 13,680 configurations yet captures key properties, including the isomerization barrier, pyrolysis activation energy, and shock Hugoniot behavior. NNAP-driven molecular dynamics simulations further reveal that pyrolysis proceeds through furazan-ring opening followed by chain reactions, whereas shock loading induces anisotropic hydrogen transfer driven by interlayer structural deformations. This work enables efficient and reliable MLPs for energetic materials.

cond-mat.mtrl-sci↗

ChemExplain: A Multimodal Benchmark for Explanatory Chemical Reasoning

Current chemistry benchmarks primarily evaluate outcome prediction or reaction pathway generation, but rarely test whether a model can explain why an observed chemical effect occurs. We introduce ChemExplain, a benchmark of 1,180 multiple-choice chemistry questions drawn from 383 peer-reviewed papers. Each question pairs a molecular or reaction image with an observed chemical effect and four candidate explanations, each associated with a different structural feature visible in the image. Answering requires the model to perceive the depicted structure, apply chemical knowledge, and identify which feature most directly explains the effect, a capability we term explanatory attribution. The correct feature-mechanism relation is derived from supporting evidence in the source paper rather than invented by the question-generation LLM. We construct the benchmark automatically with a multi-agent framework that applies progressive quality control at three stages and validate it with eight chemistry domain experts. The strongest evaluated model reaches 78.6% accuracy, leaving considerable room for improvement. On a 600-question expert-reviewed subset, reasoning-trace analysis classifies 71.4% of the strongest model's errors as attribution failures. Attribution is also the largest error category for the open-source and chemistry-specific models included in our analysis.

cs.AI↗

FiSeR: Fine-Grained Source Representations for Cross-Domain AI Image Detection

Real-world synthetic image detectors often generalize poorly under domain shift despite strong in-domain performance. Using unsupervised UMAP projections, we find that natural and synthetic features remain partially separable on unseen datasets, yet performance still drops, suggesting that the classification head overfits to training-domain artifacts. Therefore, the key is to learn more transferable representations so that the decision criterion is more stable and robust to domain shifts. Based on the structural fact that synthetic images are produced by diverse generators, we propose a hierarchical contrastive learning framework that improves the separability between natural and synthetic images while preserving generator identity information. It jointly optimizes (i) a coarse contrastive objective between natural and synthetic images and (ii) a fine contrastive objective among synthetic images using generator identities. Trained on WildFake, our method achieves an average AUROC gain of +10.22 on cross-domain evaluation over Chameleon, AIGIBench, Community Forensics, and GenImage under the same settings as the strong baseline DIRE. For few-shot adaptation, we freeze the backbone and fit an SVM head on 10 labeled samples per class, improving AUROC by +10.64 on AIGIBench and +17.41 on Chameleon, averaged over 12 widely used detectors. Our code is publicly available at: https://github.com/heyongxin233/FiSeR.

cs.CV↗

Diagram-MMU: A Multi-Modal Benchmark for Scientific Diagrams

Multimodal Large Language Models (MLLMs) have been growing the capability for scientific writing and collaboration. For example, OpenAI Prism is a free workspace for scientific writing and collaboration. One important feature in Prism is turning scientific diagrams directly into LaTeX TikZ code. In this paper, we build a benchmark, Diagram-MMU, a multi-modal benchmark designed to assess MLLMs' ability for scientific diagram parsing and understanding. Diagram-MMU features 3.7k curated diagrams and 18.3k human-validated questions across six domains. It evaluates MLLMs on three tasks common in vibe writing workspaces: diagram-to-code parsing, diagram-to-code editing, and diagram question answering, alongside agentic settings per task. The evaluation of 12 MLLMs reveals that diagram-to-code tasks are more challenging than diagram question answering: models can reason well over diagrams but struggle to parse and edit them, underscoring the need for methods to enhance MLLMs' capability in diagram-to-code generation. Under agentic settings, most models improve parsing and editing performance but degrade on question answering, while Claude-4.6 Opus consistently improves across all three tasks. Project Page: https://vi-ocean.github.io/projects/diagram-mmu.

cs.CV↗

AI-Assisted Data Extraction for Systematic Reviews in Education

Systematic reviews are time-consuming endeavors that require knowledgeable human reviewers to screen studies for relevance and extract data following a specific coding scheme before any analysis or synthesis can occur. Large language models (LLMs) hold promise for substantially accelerating this process and reducing reviewer workload, yet their application within the context of systematic reviews in the field of education remains underexplored. We address this issue in two ways: through empirical studies and the iterative development of an open-source software tool. First, we conducted two empirical studies examining the efficacy of using LLMs for data extraction using data from a published review on pedagogical agents. We extracted a variety of data types from 112 studies and compared the results to data extracted by human coding. Results indicate that LLMs struggled with extracting data accurately and therefore are not ready to be used as primary data extraction tools without explicit human validation of the data extracted. These findings highlight the dire need for a human-in-the-loop (HIL) approach to AI-assisted data extraction. We then propose a HIL workflow and introduce and describe the development of a free, web-based, open-source tool designed to support user-friendly, human-validated data extraction with LLMs.

cs.HC↗

Presence versus absence of charging energies in PbTe quantum dots

Charging energy ($E_C$) is essential in quantum dot (QD) devices. Previous studies on PbTe QDs have reported both the presence and absence of $E_C$. To resolve this ambiguity, we vary the QD size, i.e. the cross-sectional area of PbTe nanowires, and track the evolution of $E_C$. For large crosssectional areas ($\sim$ 16000 nm$^2$), the PbTe QDs exhibit no measurable $E_C$, while quantized levels are well resolved. Decreasing this area successively to 5000, 1500, and 460 nm$^2$, $E_C$ becomes finite and increases to 80, 160, and 210 $μ$eV, respectively. We further demonstrate the strong tunability of local gates, which can tune the PbTe device from the QD regime to the regime of ballistic transport. These results address concerns regarding the large dielectric constant of PbTe and provide key insights in engineering advanced PbTe quantum devices.

cond-mat.mes-hall↗

Bi-S network origin of cation-disorder stability and dispersive band edges in AgBiS2

Cation-disordered AgBiS2 is a promising lead-free optoelectronic material, but both its ordered structure and the microscopic origin of its favorable electronic properties remain debated. Theory has proposed a mixed-coordination tendency with tetrahedral AgS4 and octahedral BiS6 units, whereas experiments mainly report octahedrally coordinated ordered and cation-disordered phases, together with local cation off-centering. Here, we combine a machine-learning interatomic potential with a deep-learning Hamiltonian to resolve the coupled structural and electronic evolution of AgBiS2 at large length scales. We identify the three-dimensional Bi-S network as the central structural motif governing both disorder stability and band-edge electronic states. At weak disorder, Ag/Bi exchange competes with the off-centering tendency of the Ag sublattice, producing strongly distorted local environments and convoluted diffraction signatures that hinder the identification of the ordered phase. With increasing disorder, BiS6-like units connect into a continuous Bi-S network, which stabilizes the rocksalt-like disordered phase. Despite strong cation disorder, AgBiS2 retains clear semiconductor-like band dispersion and develops a direct band gap. The connected Bi:p-S:p states supported by the Bi-S network preserve a dispersive conduction-band edge and a small electron effective mass. In contrast, mobile Ag disrupts the long-range periodicity of Ag-S bonding, leading to strongly localized valence states. These results clarify the structural controversy in ordered AgBiS2 and establish a unified physical picture of disorder stability and optoelectronic response in nonisovalent semiconductor alloys.

cond-mat.mtrl-sci↗

Artemis: Structured Visual Reasoning for Perception Policy Learning

Recent reinforcement-learning frameworks for visual perception policy usually incorporate intermediate reasoning chains expressed in natural language. Empirical observations indicate that such purely linguistic intermediate reasoning often reduces performance on perception tasks. We argue that the core issue lies not in reasoning per se but in the form of reasoning: while these chains perform semantic reasoning in an unstructured linguistic space, \textbf{visual perception requires reasoning in a spatial and object-centric space}. In response, we introduce \textbf{Artemis}, a perception-policy learning method that performs structured visual reasoning, where each intermediate step is represented as a (label, bounding-box) pair capturing a verifiable visual state. This design enables explicit tracking of intermediate states, direct supervision for proposal quality, and avoids ambiguity introduced by language-based reasoning. Building upon verifiable and spatially grounded reasoning chains, Artemis provides a unified architecture for diverse perceptual tasks, without requiring the task-specific designs relied upon by prior perceptual policy models. Trained using grounding and detection sampeles in natural image domains, Artemis generalizes to counting and geometric perception tasks. At its core, a spatially grounded, object-centric chain rule provides a principled foundation for scalable and general perceptual policies.

cs.CV↗

Analyzing Middle School Students' Dialogue and Behaviors during Collaborative AI Chatbot Development Using Ordered Network Analysis

As Artificial Intelligence (AI) education has become a key component of K-12 curricula, activities such as designing and developing conversational agents are increasingly used as instructional practice. Prior work has primarily examined these activities by focusing on students' learning outcomes or the quality of final AI artifacts, offering limited insight into the collaborative processes through which learning unfolds during AI system development. Although the AIED community has a long history of studying collaborative learning in STEM and Computing education, the emergence of AI learning environments in which students build AI systems presents new opportunities to understand how collaboration unfolds in AI education contexts. Grounded in these foundational works, the current study examines collaborative interaction among middle school students engaged in the design and development of an AI chatbot. Using Ordered Network Analysis of students' dialogue and development actions, we characterize how collaboration is organized over time and how interaction patterns relate to chatbot quality and AI knowledge outcomes. Results reveal that higher-quality chatbots are associated with more integrated sequences linking explanation, testing, and refinement. Interaction patterns involving articulated reasoning and repeated testing and revision in response to chatbot output were also associated with stronger AI knowledge outcomes. These findings provide a process-oriented account of collaborative AI chatbot development and extend AIED research on collaborative learning processes to AI education contexts.

cs.HC↗

Small, Private Language Models as Teammates for Educational Assessment Design

Generative AI increasingly supports educational design tasks, e.g., through Large Language Models (LLMs), demonstrating the capability to design assessment questions that are aligned with pedagogical frameworks (e.g., Bloom's taxonomy). However, they often rely on subjective or limited evaluation methods; focus primarily on proprietary models; or rarely systematically examine generation, evaluation, or deployment constraints in real educational settings. Meanwhile, Small Language Models (SLMs) have emerged as local alternatives that better address privacy and resource limitations; yet their effectiveness for assessment tasks remains underexplored. To address this gap, we systematically compare LLMs and SLMs for assessment question design; evaluate generation quality across Bloom's taxonomy levels using reproducible, pedagogically grounded metrics; and further assess model-based judging against expert-informed evaluation by analyzing reliability and agreement patterns. Results show that SLMs achieve competitive performance across key pedagogically motivated quality dimensions while enabling local, privacy-sensitive deployment. However, model-based evaluations also exhibit systematic inconsistencies and bias relative to expert ratings. These findings provide evidence to posit language models as bounded assistants in assessment workflows; underscore the necessity of Human-in-the-Loop; and advance the automated educational question generation field by examining quality, reliability, and deployment-aware trade-offs.

cs.AI↗

Agentic Learner with Grow-and-Refine Multimodal Semantic Memory

MLLMs exhibit strong reasoning on isolated queries, yet they operate de novo -- solving each problem independently and often repeating the same mistakes. Existing memory-augmented agents mainly store past trajectories for reuse. However, trajectory-based memory suffers from brevity bias, gradually losing essential domain knowledge. More critically, even in truly multimodal problem-solving settings, it records only a single-modality trace of past behavior, failing to preserve how visual attention and logical reasoning jointly contributed to the solution. This is fundamentally misaligned with human cognition: semantic memory is both multimodal and integrated, preserving visual and abstract knowledge through coordinated but distinct representational streams. We thus introduce ViLoMem, a dual-stream memory framework that constructs compact, schema-based memory. It separately encodes visual distraction patterns and logical reasoning errors, enabling MLLMs to learn from their successful and failed experiences. Following a grow-and-refine principle, the system incrementally accumulates and updates multimodal semantic knowledge -- preserving stable, generalizable strategies while avoiding catastrophic forgetting. Across six multimodal benchmarks, ViLoMem consistently improves pass@1 accuracy and substantially reduces repeated visual and logical errors. Ablations confirm the necessity of dual-stream memory with explicit distraction-hallucination separation, demonstrating the value of error-aware multimodal memory for lifelong and cross-domain agentic learning. Our project page is available at https://weihao-bo.github.io/ViLoMeo-page.

cs.AI↗

Strong enhancement of g-factor in PbTe-Pb hybrid nanowires

We report large Lande g-factors observed in PbTe-Pb hybrid nanowires. The g-factor can reach 83, significantly larger than those in bare PbTe nanowires (typically below 20). We attribute this enhancement to orbital effects in the superconducting film, particularly when the magnetic field is nearly perpendicular to the Pb film. This enhancement is beneficial for the search for topological superconductivity by reducing the critical magnetic field required for the phase transition.

cond-mat.mes-hall↗

Interactive Evidence Maps for Visualizing and Understanding Systematic Reviews

Systematic reviews provide comprehensive syntheses of research fields. As a result, systematic reviews often emphasize synthesizing across the large bodies of literature rather than just describing the studies from which the conclusions were drawn. This risks an incomplete description of the sample - encouraging overgeneralization of the findings, obscuring connections between existing work, or overshadowing gaps in the literature. To address this challenge, we introduce interactive evidence maps; an accessible visualization tool that enables researchers to explore, filter, and analyze review data dynamically. Our approach leverages large language models to extract topic models that structure heterogeneous review data into an interactive, explorable knowledge map that supports deeper inspection beyond static tables and figures. We demonstrate the usefulness of interactive evidence maps using data from a published scoping review of pedagogical agents in K-12 education, and compare the results of the evidence map to those reported in the scoping review. Results show that interactive evidence maps complement traditional syntheses by enhancing transparency, supporting exploratory analysis, and revealing patterns and gaps that may not be easy to detect through narrative summaries alone.

cs.DL↗

PACE: Marrying generalization in PArameter-efficient fine-tuning with Consistency rEgularization

Parameter-Efficient Fine-Tuning (PEFT) effectively adapts pre-trained transformers to downstream tasks. However, the optimization of tasks performance often comes at the cost of generalizability in fine-tuned models. To address this issue, we theoretically connect smaller weight gradient norms during training and larger datasets to the improvements in model generalization. Motivated by this connection, we propose reducing gradient norms for enhanced generalization and aligning fine-tuned model with the pre-trained counterpart to retain knowledge from large-scale pre-training data. Yet, naive alignment does not guarantee gradient reduction and can potentially cause gradient explosion, complicating efforts to manage gradients. To address such an issue, we propose PACE, marrying generalization of PArameter-efficient fine-tuning with Consistency rEgularization. We perturb features learned from the adapter with the multiplicative noise and ensure the fine-tuned model remains consistent for same sample under different perturbations. Theoretical analysis shows that PACE not only implicitly regularizes gradients for enhanced generalization, but also implicitly aligns the fine-tuned and pre-trained models to retain knowledge. Experimental evidence supports our theories. PACE surpasses existing PEFT methods in visual adaptation tasks (VTAB-1k, FGVC, few-shot learning, domain adaptation) showcasing its potential for resource-efficient fine-tuning. It also improves LoRA in text classification (GLUE) and mathematical reasoning (GSM-8K). The code is available at https://github.com/MaxwellYaoNi/PACE

cs.LG↗

How to Assess AI Literacy: Misalignment Between Self-Reported and Objective-Based Measures

The widespread adoption of Artificial Intelligence (AI) in K-12 education highlights the need for psychometrically-tested measures of teachers' AI literacy. Existing work has primarily relied on either self-report (SR) or objective-based (OB) assessments, with few studies aligning the two within a shared framework to compare perceived versus demonstrated competencies or examine how prior AI literacy experience shapes this relationship. This gap limits the scalability of learning analytics and the development of learner profile-driven instructional design. In this study, we developed and evaluated SR and OB measures of teacher AI literacy within the established framework of Concept, Use, Evaluate, and Ethics. Confirmatory factor analyses support construct validity with good reliability and acceptable fit. Results reveal a low correlation between SR and OB factors. Latent profile analysis identified six distinct profiles, including overestimation (SR > OB), underestimation (SR < OB), alignment (SR close to OB), and a unique low-SR/low-OB profile among teachers without AI literacy experience. Theoretically, this work extends existing AI literacy frameworks by validating SR and OB measures on shared dimensions. Practically, the instruments function as diagnostic tools for professional development, supporting AI-informed decisions (e.g., growth monitoring, needs profiling) and enabling scalable learning analytics interventions tailored to teacher subgroups.

cs.CY↗

Let Me Try Again: Examining Replay Behavior by Tracing Students' Latent Problem-Solving Pathways

Prior research has shown that students' problem-solving pathways in game-based learning environments reflect their conceptual understanding, procedural knowledge, and flexibility. Replay behaviors, in particular, may indicate productive struggle or broader exploration, which in turn foster deeper learning. However, little is known about how these pathways unfold sequentially across problems or how the timing of replays and other problem-solving strategies relates to proximal and distal learning outcomes. This study addresses these gaps using Markov Chains and Hidden Markov Models (HMMs) on log data from 777 seventh graders playing the game-based learning platform of From Here to There!. Results show that within problem sequences, students often persisted in states or engaged in immediate replay after successful completions, while across problems, strong self-transitions indicated stable strategic pathways. Four latent states emerged from HMMs: Incomplete-dominant, Optimal-ending, Replay, and Mixed. Regression analyses revealed that engagement in replay-dominant and optimal-ending states predicted higher conceptual knowledge, flexibility, and performance compared with the Incomplete-dominant state. Immediate replay consistently supported learning outcomes, whereas delayed replay was weakly or negatively associated in relation to Non-Replay. These findings suggest that replay in digital learning is not uniformly beneficial but depends on timing, with immediate replay supporting flexibility and more productive exploration.

cs.CY↗