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Yanheng Li

Publications and source records attributed to Yanheng Li.

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From Dense Prediction to Visual Editing: Structured Supervision for Unified Image and Video Creation

Unified image and video creation requires a model to follow diverse instructions while preserving identity, geometry, and temporal structure from visual context. However, semantic-only conditioning and creation-only training do not explicitly supervise the local structure needed for precise, temporally consistent editing. We therefore formulate depth and surface-normal prediction as image-form denoising targets, using these dense tasks as structured visual supervision within the same creation interface. Our framework decouples semantic interpretation from spatially aligned visual injection while sharing one multimodal diffusion transformer (MMDiT) backbone across all tasks. Mutual Context Attention (MCA), a paired-video data-construction procedure, and a progressive training curriculum then connect the learned structural cues to temporally localized editing and reference-conditioned creation. A single checkpoint obtains the highest overall score in the reported comparison of unified systems (4.15); adding dense supervision improves OpenVE Overall from 3.98 to 4.06 and Local Add from 3.92 to 4.18. These results support a deliberately bounded conclusion: perception-oriented dense supervision transfers useful structural knowledge to downstream creation, especially editing locality and preservation; we do not claim superiority as a standalone dense predictor.

cs.CV

Parameter-Efficient Adaptation of SAM3 for Prompt-Driven Surgical Concept Segmentation

Efficient surgical segmentation empowers clinical diagnosis, intraoperative monitoring, and downstream robotic pipelines for reconstruction and simulation. Although prompt-driven foundation models like Segment Anything Model 3 (SAM3) achieve strong segmentation performance on natural images, surgical data exhibits domain gaps against its pre-training data, resulting in degraded segmentation accuracy. Furthermore, existing medical SAM methods require full-parameter fine-tuning, incurring heavy computational consumption and low efficiency. To address these limitations, this work proposes a parameter-efficient Low-Rank Adaptation (LoRA) adaptation of SAM3 for surgical concept segmentation. We inject low-rank adapters into the prompt encoder, detector and tracker while fully freezing the vision backbone, which only optimizes 0.98% of the total model parameters and supports training on a single consumer GPU. Comprehensive experiments demonstrate that our method consistently outperforms zero-shot SAM3 and other mainstream baselines, and the generated segmentation results can be directly deployed to support downstream robotic surgical scene reconstruction and physical simulation pipelines.

cs.CV

InsEdit: Towards Instruction-based Visual Editing via Data-Efficient Video Diffusion Models Adaptation

Instruction-based video editing is a natural way to control video content with text, but adapting a video generation model into an editor usually appears data-hungry. At the same time, high-quality video editing data remains scarce. In this paper, we show that a video generation backbone can become a strong video editor without large scale video editing data. We present InsEdit, an instruction-based editing model built on HunyuanVideo-1.5. InsEdit combines a visual editing architecture with a video data pipeline based on Mutual Context Attention (MCA), which creates aligned video pairs where edits can begin in the middle of a clip rather than only from the first frame. With only O(100)K video editing data, InsEdit achieves state-of-the-art results among open-source methods on our video instruction editing benchmarks. In addition, because our training recipe also includes image editing data, the final model supports image editing without any modification.

cs.CV

GPU Accelerated Minimal Auxiliary Basis Approach TDDFT for Large Organic Molecules

We introduce a GPU-accelerated implementation of time-dependent density functional theory with the minimal auxiliary basis approach (TDDFT-risp) in GPU4PySCF, together with large system demonstrations carried out using the Tamm--Dancoff approximation (TDA-risp). The method combines GPU-accelerated three-center integral evaluation, tensor contractions, exchange-space truncation, omission of hydrogen atoms from the auxiliary basis, and a host memory assisted Davidson solver. On the EXTEST42 benchmark set, a conservative 40 eV exchange cutoff yields excitation-energy errors relative to standard TDA of about 0.03--0.05 eV for low-lying states. For systems of 300 to 3000 atoms, we demonstrate that TDA-risp calculations of 15 low-lying excited states with $\omega$B97XD/def2-SVP complete on a single A100 GPU with wall times ranging from minutes to hours. These results position GPU-TDDFT-risp as a practical route toward excited-state calculations for large organic and biomolecular systems with thousands of atoms.

physics.chem-ph

Hear You in Silence: Designing for Active Listening in Human Interaction with Conversational Agents Using Context-Aware Pacing

In human conversation, empathic dialogue requires nuanced temporal cues indicating whether the conversational partner is paying attention. This type of "active listening" is overlooked in the design of Conversational Agents (CAs), which use the same pacing for one conversation. To model the temporal cues in human conversation, we need CAs that dynamically adjust response pacing according to user input. We qualitatively analyzed ten cases of active listening to distill five context-aware pacing strategies: Reflective Silence, Facilitative Silence, Empathic Silence, Holding Space, and Immediate Response. In a between-subjects study (N=50) with two conversational scenarios (relationship and career-support), the context-aware agent scored higher than static-pacing control on perceived human-likeness, smoothness, and interactivity, supporting deeper self-disclosure and higher engagement. In the career support scenario, the CA yielded higher perceived listening quality and affective trust. This work shows how insights from human conversation like context-aware pacing can empower the design of more empathic human-AI communication.

cs.HC

Multi-objective fluorescent molecule design with a data-physics dual-driven generative framework

Designing fluorescent small molecules with tailored optical and physicochemical properties requires navigating vast, underexplored chemical space while satisfying multiple objectives and constraints. Conventional generate-score-screen approaches become impractical under such realistic design specifications, owing to their low search efficiency, unreliable generalizability of machine-learning prediction, and the prohibitive cost of quantum chemical calculation. Here we present LUMOS, a data-and-physics driven framework for inverse design of fluorescent molecules. LUMOS couples generator and predictor within a shared latent representation, enabling direct specification-to-molecule design and efficient exploration. Moreover, LUMOS combines neural networks with a fast time-dependent density functional theory (TD-DFT) calculation workflow to build a suite of complementary predictors spanning different trade-offs in speed, accuracy, and generalizability, enabling reliable property prediction across diverse scenarios. Finally, LUMOS employs a property-guided diffusion model integrated with multi-objective evolutionary algorithms, enabling de novo design and molecular optimization under multiple objectives and constraints. Across comprehensive benchmarks, LUMOS consistently outperforms baseline models in terms of accuracy, generalizability and physical plausibility for fluorescence property prediction, and demonstrates superior performance in multi-objective scaffold- and fragment-level molecular optimization. Further validation using TD-DFT and molecular dynamics (MD) simulations demonstrates that LUMOS can generate valid fluorophores that meet various target specifications. Overall, these results establish LUMOS as a data-physics dual-driven framework for general fluorophore inverse design.

cs.LG

"Can I Decorate My Teeth With Diamonds?": Exploring Multi-Stakeholder Perspectives on Using VR to Reduce Children's Dental Anxiety

Dental anxiety is prevalent among children, often leading to missed treatment and potential negative effects on their mental well-being. While several interventions (e.g., pharmacological and psychotherapeutic techniques) have been introduced for anxiety alleviation, the recently emerged virtual reality (VR) technology, with its immersive and playful nature, opened new opportunities for complementing and enhancing the therapeutic effects of existing interventions. In this light, we conducted a series of co-design workshops with 13 children aged 10-12 to explore how they envisioned using VR to address their fear and stress associated with dental visits, followed by interviews with parents (n = 13) and two dentists. Our findings revealed that children expected VR to provide immediate relief, social support, and a sense of control during dental treatment, parents sought educational opportunities for their children to learn about oral health, and dentists prioritized treatment efficiency and safety issues. Drawing from the findings, we discuss the considerations of multi-stakeholders for developing VR-assisted anxiety management applications for children within and beyond dental settings.

cs.HC

Endo-4DGX: Robust Endoscopic Scene Reconstruction and Illumination Correction with Gaussian Splatting

Accurate reconstruction of soft tissue is crucial for advancing automation in image-guided robotic surgery. The recent 3D Gaussian Splatting (3DGS) techniques and their variants, 4DGS, achieve high-quality renderings of dynamic surgical scenes in real-time. However, 3D-GS-based methods still struggle in scenarios with varying illumination, such as low light and over-exposure. Training 3D-GS in such extreme light conditions leads to severe optimization problems and devastating rendering quality. To address these challenges, we present Endo-4DGX, a novel reconstruction method with illumination-adaptive Gaussian Splatting designed specifically for endoscopic scenes with uneven lighting. By incorporating illumination embeddings, our method effectively models view-dependent brightness variations. We introduce a region-aware enhancement module to model the sub-area lightness at the Gaussian level and a spatial-aware adjustment module to learn the view-consistent brightness adjustment. With the illumination adaptive design, Endo-4DGX achieves superior rendering performance under both low-light and over-exposure conditions while maintaining geometric accuracy. Additionally, we employ an exposure control loss to restore the appearance from adverse exposure to the normal level for illumination-adaptive optimization. Experimental results demonstrate that Endo-4DGX significantly outperforms combinations of state-of-the-art reconstruction and restoration methods in challenging lighting environments, underscoring its potential to advance robot-assisted surgical applications. Our code is available at https://github.com/lastbasket/Endo-4DGX.

cs.CV

Analyzing Cognitive Differences Among Large Language Models through the Lens of Social Worldview

Large Language Models significantly influence social interactions, decision-making, and information dissemination, underscoring the need to understand the implicit socio-cognitive attitudes, referred to as "worldviews", encoded within these systems. Unlike previous studies predominantly addressing demographic and ethical biases as fixed attributes, our study explores deeper cognitive orientations toward authority, equality, autonomy, and fate, emphasizing their adaptability in dynamic social contexts. We introduce the Social Worldview Taxonomy (SWT), an evaluation framework grounded in Cultural Theory, operationalizing four canonical worldviews, namely Hierarchy, Egalitarianism, Individualism, and Fatalism, into quantifiable sub-dimensions. Through extensive analysis of 28 diverse LLMs, we identify distinct cognitive profiles reflecting intrinsic model-specific socio-cognitive structures. Leveraging principles from Social Referencing Theory, our experiments demonstrate that explicit social cues systematically modulate these profiles, revealing robust patterns of cognitive adaptability. Our findings provide insights into the latent cognitive flexibility of LLMs and offer computational scientists practical pathways toward developing more transparent, interpretable, and socially responsible AI systems

cs.CL

Large Language Models as AI Agents for Digital Atoms and Molecules: Catalyzing a New Era in Computational Biophysics

In computational biophysics, where molecular data is expanding rapidly and system complexity is increasing exponentially, large language models (LLMs) and agent-based systems are fundamentally reshaping the field. This perspective article examines the recent advances at the intersection of LLMs, intelligent agents, and scientific computation, with a focus on biophysical computation. Building on these advancements, we introduce ADAM (Agent for Digital Atoms and Molecules), an innovative multi-agent LLM-based framework. ADAM employs cutting-edge AI architectures to reshape scientific workflows through a modular design. It adopts a hybrid neural-symbolic architecture that combines LLM-driven semantic tools with deterministic symbolic computations. Moreover, its ADAM Tool Protocol (ATP) enables asynchronous, database-centric tool orchestration, fostering community-driven extensibility. Despite the significant progress made, ongoing challenges call for further efforts in establishing benchmarking standards, optimizing foundational models and agents, building an open collaborative ecosystem and developing personalized memory modules. ADAM is accessible at https://sidereus-ai.com.

physics.comp-ph

ProtTeX: Structure-In-Context Reasoning and Editing of Proteins with Large Language Models

Large language models have made remarkable progress in the field of molecular science, particularly in understanding and generating functional small molecules. This success is largely attributed to the effectiveness of molecular tokenization strategies. In protein science, the amino acid sequence serves as the sole tokenizer for LLMs. However, many fundamental challenges in protein science are inherently structure-dependent. The absence of structure-aware tokens significantly limits the capabilities of LLMs for comprehensive biomolecular comprehension and multimodal generation. To address these challenges, we introduce a novel framework, ProtTeX, which tokenizes the protein sequences, structures, and textual information into a unified discrete space. This innovative approach enables joint training of the LLM exclusively through the Next-Token Prediction paradigm, facilitating multimodal protein reasoning and generation. ProtTeX enables general LLMs to perceive and process protein structures through sequential text input, leverage structural information as intermediate reasoning components, and generate or manipulate structures via sequential text output. Experiments demonstrate that our model achieves significant improvements in protein function prediction, outperforming the state-of-the-art domain expert model with a twofold increase in accuracy. Our framework enables high-quality conformational generation and customizable protein design. For the first time, we demonstrate that by adopting the standard training and inference pipelines from the LLM domain, ProtTeX empowers decoder-only LLMs to effectively address diverse spectrum of protein-related tasks.

q-bio.BM

Aspect-Guided Multi-Level Perturbation Analysis of Large Language Models in Automated Peer Review

We propose an aspect-guided, multi-level perturbation framework to evaluate the robustness of Large Language Models (LLMs) in automated peer review. Our framework explores perturbations in three key components of the peer review process-papers, reviews, and rebuttals-across several quality aspects, including contribution, soundness, presentation, tone, and completeness. By applying targeted perturbations and examining their effects on both LLM-as-Reviewer and LLM-as-Meta-Reviewer, we investigate how aspect-based manipulations, such as omitting methodological details from papers or altering reviewer conclusions, can introduce significant biases in the review process. We identify several potential vulnerabilities: review conclusions that recommend a strong reject may significantly influence meta-reviews, negative or misleading reviews may be wrongly interpreted as thorough, and incomplete or hostile rebuttals can unexpectedly lead to higher acceptance rates. Statistical tests show that these biases persist under various Chain-of-Thought prompting strategies, highlighting the lack of robust critical evaluation in current LLMs. Our framework offers a practical methodology for diagnosing these vulnerabilities, thereby contributing to the development of more reliable and robust automated reviewing systems.

cs.CL

Encountering Robotic Art: The Social, Material, and Temporal Processes of Creation with Machines

Robots extend beyond the tools of productivity; they also contribute to creativity. While typically defined as utility-driven technologies designed for productive or social settings, the role of robots in creative settings remains underexplored. This paper examines how robots participate in artistic creation. Through semi-structured interviews with robotic artists, we analyze the impact of robots on artistic processes and outcomes. We identify the critical roles of social interaction, material properties, and temporal dynamics in facilitating creativity. Our findings reveal that creativity emerges from the co-constitution of artists, robots, and audiences within spatial-temporal dimensions. Based on these insights, we propose several implications for socially informed, material-attentive, and process-oriented approaches to creation with computing systems. These approaches can inform the domains of HCI, including media and art creation, craft, digital fabrication, and tangible computing.

cs.HC

V$^2$-SfMLearner: Learning Monocular Depth and Ego-motion for Multimodal Wireless Capsule Endoscopy

Deep learning can predict depth maps and capsule ego-motion from capsule endoscopy videos, aiding in 3D scene reconstruction and lesion localization. However, the collisions of the capsule endoscopies within the gastrointestinal tract cause vibration perturbations in the training data. Existing solutions focus solely on vision-based processing, neglecting other auxiliary signals like vibrations that could reduce noise and improve performance. Therefore, we propose V$^2$-SfMLearner, a multimodal approach integrating vibration signals into vision-based depth and capsule motion estimation for monocular capsule endoscopy. We construct a multimodal capsule endoscopy dataset containing vibration and visual signals, and our artificial intelligence solution develops an unsupervised method using vision-vibration signals, effectively eliminating vibration perturbations through multimodal learning. Specifically, we carefully design a vibration network branch and a Fourier fusion module, to detect and mitigate vibration noises. The fusion framework is compatible with popular vision-only algorithms. Extensive validation on the multimodal dataset demonstrates superior performance and robustness against vision-only algorithms. Without the need for large external equipment, our V$^2$-SfMLearner has the potential for integration into clinical capsule robots, providing real-time and dependable digestive examination tools. The findings show promise for practical implementation in clinical settings, enhancing the diagnostic capabilities of doctors.

cs.CV

EndoUIC: Promptable Diffusion Transformer for Unified Illumination Correction in Capsule Endoscopy

Wireless Capsule Endoscopy (WCE) is highly valued for its non-invasive and painless approach, though its effectiveness is compromised by uneven illumination from hardware constraints and complex internal dynamics, leading to overexposed or underexposed images. While researchers have discussed the challenges of low-light enhancement in WCE, the issue of correcting for different exposure levels remains underexplored. To tackle this, we introduce EndoUIC, a WCE unified illumination correction solution using an end-to-end promptable diffusion transformer (DiT) model. In our work, the illumination prompt module shall navigate the model to adapt to different exposure levels and perform targeted image enhancement, in which the Adaptive Prompt Integration (API) and Global Prompt Scanner (GPS) modules shall further boost the concurrent representation learning between the prompt parameters and features. Besides, the U-shaped restoration DiT model shall capture the long-range dependencies and contextual information for unified illumination restoration. Moreover, we present a novel Capsule-endoscopy Exposure Correction (CEC) dataset, including ground-truth and corrupted image pairs annotated by expert photographers. Extensive experiments against a variety of state-of-the-art (SOTA) methods on four datasets showcase the effectiveness of our proposed method and components in WCE illumination restoration, and the additional downstream experiments further demonstrate its utility for clinical diagnosis and surgical assistance.

eess.IV

The Exploration and Evaluation of Generating Affective 360$^\circ$ Panoramic VR Environments Through Neural Style Transfer

Affective virtual reality (VR) environments with varying visual style can impact users' valence and arousal responses. We applied Neural Style Transfer (NST) to generate 360$^\circ$ VR environments that elicited users' varied valence and arousal responses. From a user study with 30 participants, findings suggested that generative VR environments changed participants' arousal responses but not their valence levels. The generated visual features, e.g., textures and colors, also altered participants' affective perceptions. Our work contributes novel insights about how users respond to generative VR environments and provided a strategy for creating affective VR environments without altering content.

cs.HC

"Nice to meet you!": Expressing Emotions with Movement Gestures and Textual Content in Automatic Handwriting Robots

Text-writing robots have been used in assistive writing and drawing applications. However, robots do not convey emotional tones in the writing process due to the lack of behaviors humans typically adopt. To examine how people interpret designed robotic expressions of emotion through both movements and textual output, we used a pen-plotting robot to generate texts by performing human-like behaviors like stop-and-go, speed, and pressure variation. We examined how people convey emotion in the writing process by observing how they wrote in different emotional contexts. We then mapped these human expressions during writing to the handwriting robot and measured how well other participants understood the robot's affective expression. We found that textual output was the strongest determinant of participants' ability to perceive the robot's emotions, whereas parameters of gestural movements of the robots like speed, fluency, pressure, size, and acceleration could be useful for understanding the context of the writing expression.

cs.HC

Dynamic Rupture, Fault Opening, and Near Fault Particle Motions along an Interface between Dissimilar Materials

Dynamic rupture propagation along an interface between two different elastic solids under shear dominated loading is studied numerically by a 2-D lattice particle model (LPM). The configuration of the lattice particle model consists of two solid blocks of different elastic properties connected along a planar interface. Each block is characterized as an isotropic elastic material and the interface strength is described as a composite elastic modulus of a mismatch function of the elastic properties of two dissimilar materials. The particle interaction between the two blocks with pair inter-particle potential also takes account of normal stress variations.

physics.geo-ph