arXiv subjects

Ziyang Yu

Publications and source records attributed to Ziyang Yu.

At least 19 recordsLinked to original sources

arXiv2026

FlashReg: GPU-Accelerated 3-Clique Point Cloud Registration for Real-Time Correspondence-to-Pose Estimation

Graph-based point cloud registration achieves high robustness by identifying geometrically consistent correspondence sets, but constructing second-order compatibility graphs and enumerating candidate cliques remain compute- and memory-intensive. This work presents FlashReg, a GPU-oriented correspondence-to-pose estimator that avoids materializing the dense scored second-order graph. Its Fast First- and Second-Order Graph (FFSOG) construction builds a capacity-bounded sparse second-order graph directly from the binary first-order graph. A dataflow-optimized three-node clique (3-clique) search then selects pivots from compact per-row candidate pools and enumerates triples through sorted sparse-neighborhood intersections. Across indoor and outdoor benchmarks, FlashReg reduces correspondence-to-pose latency by 2--3x relative to TurboReg at comparable registration recall, while using about 50% of its peak allocated tensor memory on an embedded GPU. These results make FlashReg suitable as a high-throughput registration backend within onboard perception pipelines.

cs.CV↗

arXiv2026

Wuying-Browser-Agent: Real-World Centric Fundamental Long-Horizon Browser Agents

Browser agents perform well on short, clean demonstrations, but real deployment is fundamentally different: agents must sustain dozens of decisions on live websites while recovering from mistakes and navigating complex UIs. We argue that closing this gap requires alignment at every level of the pipeline, including execution, supervision, optimization, and evaluation, rather than scale alone. We present Wuying-Browser-Agent, a unified framework that addresses each of these levels. A structured browser harness provides stable execution primitives and decision-oriented context management. Reflection and UI-specialized Curriculum SFT (RUIC-SFT) explicitly trains on recovery trajectories and complex-UI interactions. Divergence-Aware Online GRPO (DAO-GRPO) improves long-horizon credit assignment through potential-based reward shaping and divergence-aware step weighting. Finally, we introduce BrowserBench, a bilingual real-web benchmark of 350 tasks averaging 37.9 steps, because most existing benchmarks are too short to expose long-horizon failure modes. Wuying-Browser-Agent-27B achieves 80.6\% on WebVoyager, 66.7\% on Online-Mind2Web, and 65.1\% on BrowserBench, establishing a new open-source state of the art on browser-use benchmarks. The same pipeline also transfers beyond browser use, demonstrating strong general agentic ability and reaching an average score of 73.8 on Tau2-Bench, Claw-Eval, and BFCL-v4.

cs.AI↗

arXiv2026

RadiusFPS: Efficient Farthest Point Sampling on CPUs and GPUs via Spherical Voxel Pruning

Point clouds are a primary sensory representation for robotic perception, underpinning LiDAR-based autonomous driving, simultaneous localization and mapping (SLAM), and navigation. Within these pipelines, Farthest Point Sampling (FPS) is the most well-known downsampling operator, as its uniform coverage preserves the geometric structure on which downstream perception relies. However, the large time complexity of classical FPS scales poorly with the million-point-per-second rates of modern 3D sensors, making it a dominant latency bottleneck that conflicts with the real-time and limited onboard compute budgets of robotic systems. Therefore, we propose RadiusFPS, an FPS acceleration framework based on spherical voxel pruning that preserves the standard FPS update rule under the same initialization and tie-breaking policy. By indexing the point cloud with spherical voxels, RadiusFPS derives a conservative geometric bound that prunes redundant distance computations in each iteration, complemented by a coordinate-wise point-skip test that removes residual updates. We further introduce RadiusFPS-G, a warp-level GPU implementation that fuses voxel selection, pruning, and distance update into memory-coalesced kernels, eliminating costly global-memory round-trips. On indoor (S3DIS, ScanNet) and outdoor LiDAR (SemanticKITTI) benchmarks, RadiusFPS-G attains up to 2.5x speedup over GPU-based FPS and matches or exceeds QuickFPS among the evaluated methods while using roughly half its GPU memory, with comparable segmentation accuracy. When coupled with the learning-based FastPoint sampler, the resulting pipeline achieves the fastest End-to-End inference among all evaluated configurations. These properties make high-quality FPS-style sampling practical for latency- and memory-constrained robotic vision.

cs.RO↗

arXiv2026

SkillLens: Adaptive Multi-Granularity Skill Reuse for Cost-Efficient LLM Agents

Skill libraries have become a practical way for LLM agents to reuse procedural experience across tasks. However, existing systems typically treat skills as flat, single-resolution prompt blocks. This creates a tension between relevance and cost: injecting coarse skills can introduce irrelevant or misleading context, while rewriting entire skills is expensive and often unnecessary. We propose SkillLens, a hierarchical skill-evolution framework that organizes skills into a four-layer graph of policies, strategies, procedures, and primitives, and retrieves them at mixed granularity. Given a task, SkillLens first retrieves semantically relevant skill seeds, expands them through degree-corrected random walk over the skill graph, and then uses a verifier to decide whether each visited unit should be accepted, decomposed, rewritten, or skipped. This enables the agent to reuse compatible subskills directly while adapting only locally mismatched components. To improve the system over time, SkillLens further refines multi-granularity skills and verifier in order to improve its routing decisions. We provide theoretical analysis showing that mixed-granularity adaptation incurs sublinear cost under sparse mismatch assumptions and that the evolutionary update rule monotonically improves the validation objective until a local optimum. Across MuLocbench and ALFWorld, SkillLens consistently improves over strong skill-based baselines, achieving up to a 6.31 percentage-point Acc@1 gain for bug localization and raising agent success rate from 45.00% to 51.31%.

cs.AI↗

arXiv2026

CoCoDA: Co-evolving Compositional DAG for Tool-Augmented Agents

Tool-augmented language models can extend small language models with external executable skills, but scaling the tool library creates a coupled challenge: the library must evolve with the planner as new reusable subroutines emerge, while retrieval from the growing library must remain within a fixed context budget. Existing tool-use and skill-library methods typically treat tools as flat or text-indexed memories, causing prompt cost to grow with library size and obscuring the typed, compositional structure of executable code. We propose CoCoDA, a framework that co-evolves the planner and tool library through a single code-native structure: a compositional code DAG. Nodes are primitive or composite tools, edges encode invocation dependencies, and each node stores a typed signature, description, pre/post-condition specification, and worked examples. At inference time, Typed DAG Retrieval prunes candidates by symbolic signature unification, ranks survivors by descriptions, filters them by behavioral specifications, and disambiguates with examples, keeping expensive context materialization on progressively smaller candidate sets. At training time, successful trajectories are folded into validated composite tools, while the planner is updated with a DAG-induced reward that credits composites by their primitive expansion size. We provide theoretical results showing retrieval cost reduction, sublinear retrieval time, compositional advantage under the shaped reward, monotone co-evolution under conservative updates, and DAG well-formedness. Across mathematical reasoning, tabular analysis, and code task benchmarks, CoCoDA enables an 8B student to match or exceed a 32B teacher on GSM8K and MATH and consistently improves over strong tool-use and library-learning baselines.

cs.AI↗

arXiv2026

CARD: Coarse-to-fine Autoregressive Modeling with Radix-based Decomposition for Transferable Free Energy Estimation

Estimating free energy differences quantifies thermodynamic preferences in molecular interactions, which is central to chemistry and drug discovery. Despite fruitful progress, existing methods still face key limitations: classical computational approaches remain prohibitively expensive due to their reliance on extensive molecular dynamics simulations, while deep learning-based methods are constrained by either less-expressive generative models or input dimensions tied to a specific system, resulting in negligible generalization. To address these challenges, we propose CARD, a generative framework that employs a novel radix-based decomposition to bijectively convert 3D coordinates into mixed discrete-continuous sequences, enabling coarse-to-fine autoregressive modeling with enhanced expressiveness. Notably, the model corresponds to a distribution with zero free energy, serving as a proposal for absolute free energy computation of arbitrary systems without relying on alchemical pathways. Experiments across diverse tasks demonstrate that CARD matches the accuracy of classical computational methods on unseen systems with diverse topologies, while achieving an approximately 40-fold speedup in inference.

cs.LG↗

arXiv2026

Unified Biomolecular Trajectory Generation via Pretrained Variational Bridge

Molecular Dynamics (MD) simulations provide a fundamental tool for characterizing molecular behavior at full atomic resolution, but their applicability is severely constrained by the computational cost. To address this, a surge of deep generative models has recently emerged to learn dynamics at coarsened timesteps for efficient trajectory generation, yet they either generalize poorly across systems or, due to limited molecular diversity of trajectory data, fail to fully exploit structural information to improve generative fidelity. Here, we present the Pretrained Variational Bridge (PVB) in an encoder-decoder fashion, which maps the initial structure into a noised latent space and transports it toward stage-specific targets through augmented bridge matching. This unifies training on both single-structure and paired trajectory data, enabling consistent use of cross-domain structural knowledge across training stages. Moreover, for protein-ligand complexes, we further introduce a reinforcement learning-based optimization via adjoint matching that speeds progression toward the holo state, which supports efficient post-optimization of docking poses. Experiments on proteins and protein-ligand complexes demonstrate that PVB faithfully reproduces thermodynamic and kinetic observables from MD while delivering stable and efficient generative dynamics.

cs.LG↗

arXiv2026

Distilling LLM Reasoning into Graph of Concept Predictors

Deploying Large Language Models (LLMs) for discriminative workloads is often limited by inference latency, compute, and API costs at scale. Active distillation reduces these costs by querying an LLM oracle to train compact discriminative students, but most pipelines distill only final labels, discarding intermediate reasoning signals and offering limited diagnostics of what reasoning is missing and where errors arise. We propose Graph of Concept Predictors (GCP), a reasoning-aware active distillation framework that externalizes the teacher's decision process as a directed acyclic graph and mirrors it with modular concept predictors in the student. GCP enhances sample efficiency through a graph-aware acquisition strategy that targets uncertainty and disagreement at critical reasoning nodes. Additionally, it improves training stability and efficiency by performing targeted sub-module retraining, which attributes downstream loss to specific concept predictors and updates only the most influential modules. Experiments on eight NLP classification benchmarks demonstrate that GCP enhances performance under limited annotation budgets while yielding more interpretable and controllable training dynamics. Code is available at: https://github.com/Ziyang-Yu/GCP.

cs.AI↗

arXiv2026

Efficient Imputation for Patch-based Missing Single-cell Data via Cluster-regularized Optimal Transport

Missing data in single-cell sequencing datasets poses significant challenges for extracting meaningful biological insights. However, existing imputation approaches, which often assume uniformity and data completeness, struggle to address cases with large patches of missing data. In this paper, we present CROT (Cluster-Regularized Optimal Transport), an optimal transport-based imputation algorithm designed to handle patch-based missing data in tabular formats. Our approach effectively captures the underlying data structure in the presence of significant missingness. Notably, it achieves superior imputation accuracy while significantly reducing runtime, demonstrating its scalability and efficiency for large-scale datasets. This work introduces a robust solution for imputation in heterogeneous, high-dimensional datasets with structured data absence, addressing critical challenges in both biological and clinical data analysis. Our code is available on GitHub, https://github.com/yuyuliu11037/CROT.

cs.LG↗

arXiv2025

Signature for charged Higgs pair production in 2HDM+a model at CLIC

In this work, we study the search for charged Higgs bosons in the Two-Higgs-Doublet Model plus an additional pseudo-scalar (2HDM+a) at the Compact Linear Collider (CLIC). Focusing on the pair production of charged Higgs bosons, followed by the decays $H^\pm \to a W $ and $ H^\mp \to t b $, we analyze the signal channel of $4j+2b+E_T^{miss}$. Given the center-of-mass energy of CLIC as $ \sqrt{s} = 1500$ GeV, charged Higgs bosons with masses $ m_{H^\pm} < \sqrt{s}/2$ are explored. Simulation results indicate that the signal significance of 400 GeV and 600 GeV charged Higgs bosons can reach $5\sigma$ in specific parameter spaces, and the $2\sigma$ exclusion limits in the $m_{H^\pm}- m_a$ plane are presented for $m_{H^\pm}$ in the range of [400, 650] GeV.

hep-ph↗

arXiv2025

LesionGen: A Concept-Guided Diffusion Model for Dermatology Image Synthesis

Deep learning models for skin disease classification require large, diverse, and well-annotated datasets. However, such resources are often limited due to privacy concerns, high annotation costs, and insufficient demographic representation. While text-to-image diffusion probabilistic models (T2I-DPMs) offer promise for medical data synthesis, their use in dermatology remains underexplored, largely due to the scarcity of rich textual descriptions in existing skin image datasets. In this work, we introduce LesionGen, a clinically informed T2I-DPM framework for dermatology image synthesis. Unlike prior methods that rely on simplistic disease labels, LesionGen is trained on structured, concept-rich dermatological captions derived from expert annotations and pseudo-generated, concept-guided reports. By fine-tuning a pretrained diffusion model on these high-quality image-caption pairs, we enable the generation of realistic and diverse skin lesion images conditioned on meaningful dermatological descriptions. Our results demonstrate that models trained solely on our synthetic dataset achieve classification accuracy comparable to those trained on real images, with notable gains in worst-case subgroup performance. Code and data are available here.

eess.IV↗

arXiv2025

Magnon-Driven Phononic Frequency Comb in Linear Elastic Media

Phononic frequency combs (PFCs) typically require nonlinear elastic media, limiting their frequency range and stability. Here, we propose a transformative approach to generate PFCs in purely linear elastic media by harnessing the magnon nonlinearities, offering a new paradigm for frequency comb physics. By tuning the magnon-phonon coupling confined in a magnetic disk of a vortex state into the strong coupling regime, we demonstrate an efficient nonlinearity transfer from magnons to phonons. This mechanism is able to produce GHz-range PFCs with comb spacing set by the vortex core's gyration frequency. Full micromagnetic simulations verify our theoretical predictions, confirming robust comb formation at 3.5 GHz with 0.4 GHz spacing. This approach overcomes the sub-MHz constraints of conventional PFCs, enabling applications in high-precision metrology, nanoscale sensing, and quantum technologies. Our findings also deepen the understanding of the nonlinear dynamics in hybrid magnon-phonon systems and provide a versatile platform for exploring frequency combs in diverse physical systems.

cond-mat.mes-hall↗

arXiv2025

UniSim: A Unified Simulator for Time-Coarsened Dynamics of Biomolecules

Molecular Dynamics (MD) simulations are essential for understanding the atomic-level behavior of molecular systems, giving insights into their transitions and interactions. However, classical MD techniques are limited by the trade-off between accuracy and efficiency, while recent deep learning-based improvements have mostly focused on single-domain molecules, lacking transferability to unfamiliar molecular systems. Therefore, we propose \textbf{Uni}fied \textbf{Sim}ulator (UniSim), which leverages cross-domain knowledge to enhance the understanding of atomic interactions. First, we employ a multi-head pretraining approach to learn a unified atomic representation model from a large and diverse set of molecular data. Then, based on the stochastic interpolant framework, we learn the state transition patterns over long timesteps from MD trajectories, and introduce a force guidance module for rapidly adapting to different chemical environments. Our experiments demonstrate that UniSim achieves highly competitive performance across small molecules, peptides, and proteins.

q-bio.BM↗

arXiv2025

DWFS-Obfuscation: Dynamic Weighted Feature Selection for Robust Malware Familial Classification under Obfuscation

Due to its open-source nature, the Android operating system has consistently been a primary target for attackers. Learning-based methods have made significant progress in the field of Android malware detection. However, traditional detection methods based on static features struggle to identify obfuscated malicious code, while methods relying on dynamic analysis suffer from low efficiency. To address this, we propose a dynamic weighted feature selection method that analyzes the importance and stability of features, calculates scores to filter out the most robust features, and combines these selected features with the program's structural information. We then utilize graph neural networks for classification, thereby improving the robustness and accuracy of the detection system. We analyzed 8,664 malware samples from eight malware families and tested a total of 44,940 malware variants generated using seven obfuscation strategies. Experiments demonstrate that our proposed method achieves an F1-score of 95.56% on the unobfuscated dataset and 92.28% on the obfuscated dataset, indicating that the model can effectively detect obfuscated malware.

cs.CR↗

arXiv2025

Experience Retrieval-Augmentation with Electronic Health Records Enables Accurate Discharge QA

To improve the reliability of Large Language Models (LLMs) in clinical applications, retrieval-augmented generation (RAG) is extensively applied to provide factual medical knowledge. However, beyond general medical knowledge from open-ended datasets, clinical case-based knowledge is also critical for effective medical reasoning, as it provides context grounded in real-world patient experiences.Motivated by this, we propose Experience Retrieval-Augmentation ExpRAG framework based on Electronic Health Record(EHR), aiming to offer the relevant context from other patients' discharge reports. ExpRAG performs retrieval through a coarse-to-fine process, utilizing an EHR-based report ranker to efficiently identify similar patients, followed by an experience retriever to extract task-relevant content for enhanced medical reasoning.To evaluate ExpRAG, we introduce DischargeQA, a clinical QA dataset with 1,280 discharge-related questions across diagnosis, medication, and instruction tasks. Each problem is generated using EHR data to ensure realistic and challenging scenarios. Experimental results demonstrate that ExpRAG consistently outperforms a text-based ranker, achieving an average relative improvement of 5.2%, highlighting the importance of case-based knowledge for medical reasoning.

cs.CL↗

arXiv2025

ICPC: In-context Prompt Compression with Faster Inference

Despite the recent success of Large Language Models (LLMs), it remains challenging to feed LLMs with long prompts due to the fixed size of LLM inputs. As a remedy, prompt compression becomes a promising solution by removing redundant tokens in the prompt. However, using LLM in the existing works requires additional computation resources and leads to memory overheads. To address it, we propose ICPC (In-context Prompt Compression), a novel and scalable prompt compression method that adaptively reduces the prompt length. The key idea of ICPC is to calculate the probability of each word appearing in the prompt using encoders and calculate information carried by each word through the information function, which effectively reduces the information loss during prompt compression and increases the speed of compression. Empirically, we demonstrate that ICPC can effectively compress long texts of different categories and thus achieve better performance and speed on different types of NLP tasks.

cs.CL↗

arXiv2024

Force-Guided Bridge Matching for Full-Atom Time-Coarsened Dynamics of Peptides

Molecular Dynamics (MD) is crucial in various fields such as materials science, chemistry, and pharmacology to name a few. Conventional MD software struggles with the balance between time cost and prediction accuracy, which restricts its wider application. Recently, data-driven approaches based on deep generative models have been devised for time-coarsened dynamics, which aim at learning dynamics of diverse molecular systems over a long timestep, enjoying both universality and efficiency. Nevertheless, most current methods are designed solely to learn from the data distribution regardless of the underlying Boltzmann distribution, and the physics priors such as energies and forces are constantly overlooked. In this work, we propose a conditional generative model called Force-guided Bridge Matching (FBM), which learns full-atom time-coarsened dynamics and targets the Boltzmann-constrained distribution. With the guidance of our delicately-designed intermediate force field, FBM leverages favourable physics priors into the generation process, giving rise to enhanced simulations. Experiments on two datasets consisting of peptides verify our superiority in terms of comprehensive metrics and demonstrate transferability to unseen systems.

physics.chem-ph↗

arXiv2024

A Survey of Geometric Graph Neural Networks: Data Structures, Models and Applications

Geometric graphs are a special kind of graph with geometric features, which are vital to model many scientific problems. Unlike generic graphs, geometric graphs often exhibit physical symmetries of translations, rotations, and reflections, making them ineffectively processed by current Graph Neural Networks (GNNs). To address this issue, researchers proposed a variety of geometric GNNs equipped with invariant/equivariant properties to better characterize the geometry and topology of geometric graphs. Given the current progress in this field, it is imperative to conduct a comprehensive survey of data structures, models, and applications related to geometric GNNs. In this paper, based on the necessary but concise mathematical preliminaries, we formalize geometric graph as the data structure, on top of which we provide a unified view of existing models from the geometric message passing perspective. Additionally, we summarize the applications as well as the related datasets to facilitate later research for methodology development and experimental evaluation. We also discuss the challenges and future potential directions of geometric GNNs at the end of this survey.

cs.LG↗