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Yifei Wang

Publications and source records attributed to Yifei Wang.

At least 19 recordsLinked to original sources
arXiv2026

Towards Requirements Engineering for GenAI-Enabled Software: Bridging Responsibility Gaps through Human Oversight Requirements

Context: Responsibility gaps, long-recognized challenges in socio-technical systems where accountability becomes diffuse or ambiguous, have become increasingly pronounced in GenAI-enabled software. This study seeks to establish a coherent perspective for a systematic analysis of responsibility gaps from a human oversight requirements standpoint, encompassing how these responsibility gaps should be conceptualized, identified, and represented throughout the requirements engineering process. Methods: The proposed design methodology is structured across three analytical layers. At the conceptualization layer, it establishes a conceptual framing that defines the key elements of responsibility across the human and system dimensions and explains how potential responsibility gaps emerge from their interactions. At the methodological layer, it introduces a deductive pipeline for identifying responsibility gaps by analyzing interactions between these dimensions and deriving corresponding oversight requirements within established requirements engineering frameworks. At the artifact layer, it formalizes the results in a Deductive Backbone Table, a reusable representation that traces the reasoning path from responsibility gaps identification to human oversight requirements derivation. Results: A user study compared the proposed methodology with a baseline goal-oriented requirements engineering approach. Participant-perception results indicated generally favorable views of the enhanced approach across the evaluated dimensions, while expert ratings of the generated requirement artifacts showed higher mean scores for six of the seven artifact-quality items, with the strongest descriptive improvements observed for consistency and representational traceability.

cs.SE↗
arXiv2026

A Theoretical Framework for Masked Pretraining (MPT)

Recently, Masked Pretraining (MPT) based on reconstruction pretraining tasks has risen to a promising self-supervised learning paradigm across various domains and achieves remarkable performance in multiple downstream tasks. However, the theoretical understanding of the working mechanism behind MPT is still limited. In this paper, we introduce a new theoretical framework to analyze MPT and understand the crucial role of masking in extracting meaningful representations. We establish theoretical connections between MPT and another popular self-supervised paradigm: contrastive learning. We prove that the masking technique implicitly creates positive pairs that are semantically similar and the reconstruction loss pulls them together in the feature space. Besides, as a result of the implicit alignment, we point out the dimensional collapse issue of MPT and propose a Uniformity-enhanced MPT (U-MPT) loss that can effectively address this issue and bring significant improvements in downstream tasks including linear evaluation, cross-dataset fine-tuning and out-of-distribution generalization on real-world data sets. Furthermore, we establish downstream guarantees of U-MPT and theoretically analyze the influence of masking strategies. Based on the theoretical analysis, we propose a new masking strategy which enhances the downstream performance of MPT and explains current improvements of masking strategies with our theoretical perspective.

cs.LG↗
arXiv2026

Elite-Weighted Supervised Fine-tuning for Goal-Directed Molecular Optimization

Goal-directed optimization is essential for steering molecular generators to propose candidates with desired properties. However, it is often implemented with policy-gradient reinforcement learning, which requires a generation-trajectory log-probability whose form depends on the model architecture and generation procedure. This makes an optimizer difficult to reuse across architectures and conditional generative designs. Supervised fine-tuning needs none of that machinery, but its update is driven by a fixed dataset, so the reward never enters the update. We introduce Elite-Weighted Supervised Fine-tuning (EW-SFT), which uses reward to guide elite selection of high-scoring molecules, and updates the model by its own pretraining loss on that set. Ablations show that reward information is passed primarily through elite selection, rather than through continuous weighting within the selected set. Because the update consumes only scored molecules and the model's native loss, the same rule applies across autoregressive, masked-diffusion, and discrete-flow generators, and across de novo, motif-extension, and linker-design tasks. Under a fixed budget of 3D shape alignment oracle calls on two kinase reference compounds, EW-SFT consistently outperforms the corresponding native optimizers. It further improves goal-directed optimization under a 2D similarity oracle on four held-out references and achieves comparable performance on a sample-efficiency benchmark without a trajectory-level RL formulation. These results demonstrate that EW-SFT is a unified and effective optimizer across molecular generators, design constraints, references, and oracles.

cs.LG↗
arXiv2026

Decoupling 2D translation-invariant topological CSS codes

Two-dimensional translation-invariant topological CSS codes on qubits are known to be locally equivalent, after coarse-graining, to stacks of toric codes. However, existing constructions generally break more translation symmetry than is required to remove anyon-permuting translations, leaving open whether any further obstruction exists. We prove that no such obstruction occurs: after passing to the maximal anyon-preserving superlattice, every such code admits a local unitary decoupling into toric codes and product states. We further provide an efficient algorithm for explicitly constructing the decoupling map, together with bounds on the required supercell size and operator spreading. The decoupling requires no additional ancillas in generic cases and extends to finite systems with suitable boundary conditions.

quant-ph↗
arXiv2026

NFR-to-Code Traceability in a Blockchain-IoT System: An Empirical Study

Requirement-to-Code traceability has been widely studied, yet existing research and public benchmarks remain largely centered on functional requirements (FRs). In contrast, traceability for non-functional requirements (NFRs) remains more difficult and underexplored, which hinders the verification of critical quality concerns such as security and reliability.This paper studies NFR-to-Code traceability based on a real-world blockchain-IoT project. We design an annotation protocol for constructing trace links across heterogeneous artifacts and build a manually curated subset containing both FR and NFR links. Using this subset, we examine the characteristics of NFR traceability and further evaluate four representative retrieval baselines: TF-IDF, BM25, LSI, and WMD. The results show that FR-to-Code tracing is consistently easier than NFR-to-Code tracing, while security-related NFRs are the most difficult subset. They further indicate that the main challenge of NFR traceability lies not in requirement availability, but in implementation evidence that is distributed and not clearly localized in code.

cs.SE↗
arXiv2026

TransBiolab: A Real-World Multi-View Dataset of Cluttered Transparent Biomedical Objects

Autonomous biomedical laboratories increasingly rely on visual perception to recognize, localize, and manipulate transparent plasticware, yet high-quality real-world datasets for this setting remain limited. The scarcity of domain-relevant data is particularly restrictive in cluttered multi-object scenes, where mutual occlusion and view-dependent appearance changes remain challenging even for contemporary visual foundation models. Existing transparent-object datasets have advanced segmentation, depth, and pose estimation, but they usually do not evaluate the combined setting of multi-object clutter, occlusion, and calibrated multi-view capture that characterizes real laboratory manipulation scenes. To address this gap, we present TrainsBiolab, a real-world RGB-D dataset of cluttered transparent biomedical objects captured as calibrated multi-view sequences. TrainsBiolab contains 161,315 frames from 98 scenes and 1.03M instance annotations over 15 laboratory object types, including 6D poses, full and visible masks, depth, and per-frame camera calibration. The dataset is organized along three axes that reflect operational difficulty: object category, the total number of objects in a frame, and camera viewpoint. We further define dataset-centric benchmarks for segmentation, depth estimation and completion, and 6D pose estimation, and report a system-level robot manipulation evaluation enabled by the released annotations and calibrations. By focusing on repeated transparent instances, clutter, and multi-view laboratory capture, TrainsBiolab provides a resource for segmentation, depth estimation, 6D pose estimation, and multi-view reasoning in autonomous laboratory manipulation. Project page: https://dualtransparency.github.io/TransBiolab/.

cs.CV↗
arXiv2026

Joint Energy Management and Coordinated AIGC Workload Scheduling for Distributed Data Centers: A Diffusion-Aided Reward Shaping Approach

Artificial intelligence-generated content (AIGC) has emerged as a transformative paradigm for automating the creation of diverse and customized content, giving rise to rapidly growing computational workloads in cloud data centers. It is imperative for AIGC service providers (ASPs) to strategically schedule AIGC workloads to reduce data center energy costs while guaranteeing high-quality content generation. However, the distinctive characteristics of AIGC services pose critical challenges, including model heterogeneity across ASPs, implicit service quality evaluation, and complex inference process control. To tackle these challenges, we propose a joint energy management and coordinated AIGC workload scheduling framework, which introduces an explicit mathematical characterization of service quality to promote both job transfer among ASPs and fine-grained inference process configuration. Moreover, various energy resources within data centers are jointly considered to enhance power usage flexibility. Subsequently, a system utility maximization problem is formulated to balance AIGC service revenue with operational penalties and costs. Nevertheless, the strong coupling among job scheduling decisions induces severe reward sparsity, which limits the effectiveness of existing deep reinforcement learning (DRL) algorithms. To address this issue, we develop a diffusion model-aided reward shaping approach to synthesize complementary reward signals through a multi-step denoising process. This approach is seamlessly integrated with DRL to enable efficient learning of scheduling policies under sparse environmental feedback. Experiments based on real-world models and datasets demonstrate that our scheme effectively accommodates electricity price fluctuations and AIGC model heterogeneity, while achieving superior learning convergence and system utility compared with benchmark methods.

cs.LG↗
arXiv2026

Towards Automated Identification of Violation Symptoms of Architecture Erosion

Architecture erosion harms software maintenance when implementation deviates from intended architecture. Early detection of violation symptoms is essential, and code review comments provide a promising textual source for automated identification. This paper investigates automatic detection of architecture violation symptoms from code reviews using traditional machine learning (ML), deep learning (DL), and large language models (LLMs). We built and evaluated 15 ML and 4 DL classifiers with word embeddings (word2vec, fastText, GloVe) on code reviews from four open-source projects (OpenStack Nova, Neutron, Qt Base, Creator). We also constructed LLM-based classifiers using GPT-4o, Qwen-2.5, and DeepSeek-R1. Results show that SVM with word2vec performs best among ML/DL methods (F1-score: 0.808), with 200-dimensional embeddings generally superior. Majority-vote ensembles further improve the performance. On an imbalanced test set, SVM remains strongest in Macro-F1. Statistical tests confirm significant performance differences. The best LLM-based classifiers outperformed traditional ML/DL approaches, with GPT-4o achieving the highest F1-score (0.851). Practitioner surveys and interviews indicate practical value for early warning of architectural issues. A controlled experiment shows that providing detected violation symptoms improves developers' detection rate from 25.9% to 64.7%. The study contributes an automated detection approach, comprehensive ML/DL vs LLM comparison, and practitioner-validated evidence for improving architectural conformance and sustainability.

cs.SE↗
arXiv2026

Improvement of a focused ion beam fabricated diamond pillar for scanning ensemble nitrogen-vacancy magnetometry probe using an ultrapure diamond

Scanning diamond nitrogen-vacancy probe microscopy (SNVM) is an important tool for studying nanoscale condensed-matter phenomena. Ga$^+$-ion-focused-ion-beam (FIB) milling has been introduced as a method for fabricating SNVM, while the probe diameter is limited to a few micrometers due to Ga$^+$-induced damage. We report a method for improving the quality of FIB-fabricated SNVM probes by polyvinyl alcohol and Pt/Pd capping, followed by post-fabrication UV/ozone exposure. The effectiveness of the method is confirmed by the fabrication of an 800 nm-diameter probe with shallow NV centers, demonstrating an imaging of maze-like magnetic domain structure with a resolution of a few hundred nanometers and an improved sensitivity of 6.7 $μ$T/Hz${1/2}$, while preserving spin coherence properties.

cond-mat.mtrl-sci↗
arXiv2026

Beyond Spectral Decomposition: Bayesian Contrastive Learning and its Non-negative Formulation via Factor Analysis

Factor analysis, often regarded as a Bayesian variant of matrix factorization, offers superior capabilities in capturing uncertainty, modeling complex dependencies, and ensuring robustness. As the deep learning era arrives, factor analysis is receiving less and less attention due to their limited expressive ability. On the contrary, contrastive learning has emerged as a potent technique with demonstrated efficacy in unsupervised representational learning. While the two methods are different paradigms, recent theoretical analysis has revealed the mathematical equivalence between contrastive learning and matrix factorization, providing a potential possibility for factor analysis combined with contrastive learning. Motivated by the interconnectedness of contrastive learning, matrix factorization, and factor analysis, this paper introduces a novel Contrastive Factor Analysis framework, aiming to leverage factor analysis's advantageous properties within the realm of contrastive learning. To further leverage the interpretability properties of non-negative factor analysis, which can learn disentangled representations, contrastive factor analysis is extended to a non-negative version. Finally, extensive experimental validation showcases the efficacy of the proposed contrastive (non-negative) factor analysis methodology across multiple key properties, including expressiveness, robustness, interpretability, and accurate uncertainty estimation.

cs.LG↗
arXiv2026

An Expectation-Maximization Algorithm for Training Clean Diffusion Models from Corrupted Observations

Diffusion models excel in solving imaging inverse problems due to their ability to model complex image priors. However, their reliance on large, clean datasets for training limits their practical use where clean data is scarce. In this paper, we propose EMDiffusion, an expectation-maximization (EM) approach to train diffusion models from corrupted observations. Our method alternates between reconstructing clean images from corrupted data using a known diffusion model (E-step) and refining diffusion model weights based on these reconstructions (M-step). This iterative process leads the learned diffusion model to gradually converge to the true clean data distribution. We validate our method through extensive experiments on diverse computational imaging tasks, including random inpainting, denoising, and deblurring, achieving new state-of-the-art performance.

cs.CV↗
arXiv2026

Unbiased Diffusion Variational Inversion via Principled Posterior Matching

Existing score-based methods for inverse problems often resort to approximate minimization of the KL divergence between the inversion distribution and the Bayesian posterior. Such an approximation leads to severe mode collapse and unreliable uncertainty quantification. In this paper, we propose Principled Posterior Matching (PPM), a framework that returns to the fundamentals of variational inference, rather than using tricky approximations. Instead of relying on heuristic approximations, we rigorously formulate the exact optimization of the KL divergence via the integration of Fisher divergence. We derive a tractable, equivalent gradient form of this integral, enabling precise optimization without the biases introduced by prior approximations. Our analysis clearly reveals that the mode collapse in previous methods stems directly from this approximation gap. Supported by our theoretical solution, PPM unifies two complementary paradigms: (1) In variational inference, PPM adopts mass-covering divergences that significantly improve the inversion diversity and uncertainty quantification; (2) In amortized inference, it enables the training of an efficient reconstruction network for rapid, single-step reconstruction. Furthermore, our formulation naturally extends to a broader family of divergence measures by generalizing the integral of the Fisher divergence. We validate PPM across challenging computational imaging tasks, including inpainting, super-resolution fluorescent microscopy, and radio interferometric black-hole imaging. In all experiments, PPM achieves superior reconstruction fidelity, faithful multimodal posterior recovery, and well-calibrated uncertainty estimates, establishing a robust framework for scientific imaging.

cs.CV↗
arXiv2026

On the Position Bias of On-Policy Distillation

On-Policy Distillation (OPD) improves the learning efficiency of standard reinforcement learning through dense, token-level supervision from teachers. In the standard KL objective of OPD, token-level losses are uniformly averaged, implying equal weights for all tokens. However, we discover that not all tokens are created equal: as student rollouts grow longer, they deviate further from the teacher's distribution, leading to degraded supervision quality at later positions. As a result, OPD using only the first 30% of tokens can perform comparably to using all tokens, whereas OPD using only the last 30% of tokens barely learns anything. In this work, we provide a principled understanding of this issue through the lens of constrained optimization. Based on these insights, we derive Importance-Weighted On-Policy Distillation (IW-OPD), in which the weight assigned to each token depends on the accumulated discrepancy between the student's and teacher's distributions, naturally upweighting earlier tokens and downweighting later ones with larger deviations. We show that IW-OPD converges significantly faster than OPD, with better learning efficiency, and achieves better final performance than standard OPD in both same-size and cross-scale settings, improving performance up to 6.9 points on AIME-2025.

cs.LG↗
arXiv2026

CodeTeam: An LLM-Powered Multi-Agent Framework for Repository-Level Code Generation

Natural language to repository generation (NL2Repo) requires a system to construct an entire software repository from a natural-language requirements document. Compared with function-level code generation, this task demands longer planning horizons, stable interfaces across files, and iterative debugging of cross-file inconsistencies. To address these challenges, we propose CodeTeam, an LLM-based multi-agent framework that separates planning, decision making, and implementation into distinct, coordinated stages. In the planning stage, multiple Architect agents draft competing software design sketches (SDS), optionally grounded by retrieved design references. A CTO agent then evaluates, selects, and normalizes the most promising SDS into a machine-checkable contract that specifies file ownership, public interfaces, and dependency constraints. In the implementation stage, Developer agents generate code under a dependency-aware scheduler with bounded context and lightweight Git-based coordination, while a QA agent runs tests and drives iterative repairs. On the synthesis-based SketchEval benchmark, we explicitly compare CodeTeam's prompt-engineering (PE) and supervised fine-tuning (SFT) variants with the corresponding CodeS variants, where CodeTeam improves the overall SketchBLEU by 4.1 and 2.9 absolute points, respectively. On the execution-based NL2Repo-Bench benchmark, used as an external validation protocol, CodeTeam achieves the highest average test pass rate in both settings (34.6% PE, 42.3% SFT), confirming that the sketch-improvements extend to functional correctness under upstream test suites. Ablation results show that project-specific developer allocation and retrieval-augmented planning each contribute substantially to the SketchBLEU improvement (9.9% and 8.1% relative, respectively). CodeTeam and the experimental results are available at https://github.com/WhitenWhiten/CodeTeam

cs.SE↗
arXiv2026

Beyond the Next Step: Variable-Length Latent World Models for Long-Horizon Planning

Recently, world models have emerged as a promising paradigm for building intelligent agents by learning predictive models that estimate future environment states conditioned on observations and actions. In particular, JEPA-style latent world models provide an efficient alternative to pixel space prediction by learning action-conditioned dynamics in compact representation spaces. However, existing latent world models typically rely on one-step prediction and must be recursively rolled out for long-horizon planning, which leads to compounding errors and a mismatch between training objectives and downstream planning tasks. To address this limitation, we propose Variable-length Latent World Models (VLWMs), a framework that learns to predict future latent states conditioned on action sequences of variable lengths. Instead of training only on one-step transitions, VLWMs directly model temporally extended dynamics, allowing the same predictor to evaluate action plans over different horizons. We further introduce a curriculum training strategy that progressively expands the action horizon, stabilizing optimization from short-range dynamics to long-range prediction. At test time, we design planning methods tailored to VLWMs to better exploit their variable-length predictive capabilities. Experiments on long-horizon control tasks show that VLWMs significantly improve latent space world models, achieving 13\% average improvement over the state-of-the-art LeWM across different datasets, with especially large gains on tasks requiring extended planning. These results suggest that VLWM provides a simple yet effective paradigm for improving long-horizon prediction and planning in latent world models.

cs.LG↗
arXiv2026

MARS: Efficient, Adaptive Co-Scheduling for Heterogeneous Agentic Systems

Large language models (LLMs) are increasingly deployed as the execution core of autonomous agents rather than as standalone text generators. Agentic workloads induce a temporal shift from single-turn inference to multi-turn LLM-tool loops, and a spatial shift from chat-scale, GPU-only execution to repository-scale, GPU-CPU co-located execution. Consequently, coordinating heterogeneous resource demands of agentic execution has emerged as a critical system challenge. We design and implement MARS, an efficient and adaptive co-scheduling system that globally coordinates heterogeneous agentic workloads under coupled GPU-CPU resource pressure. By establishing holistic visibility across GPU inference and CPU tool execution via a unified information stream, an external control plane in MARS decouples admission from execution to prevent heterogeneous resource oversubscription. An internal agent-centric scheduler further minimizes the end-to-end critical path by prioritizing latency-sensitive continuations and adaptively retaining KV cache state only when warm resumption yields a latency benefit. Our evaluations show that MARS reduces end-to-end latency by up to 5.94x while maintaining nearly maximal system throughput. We further integrate MARS as the serving backend for the OpenHands coding agent framework, demonstrating its real-world effectiveness by accelerating end-to-end task completion time by up to 1.87x. Our source code is publicly available at https://github.com/Afterglow231/MARS_preview .

cs.OS↗
arXiv2026

SurroundNEXO: Ego-Centric Metric Bridging for Spatially Consistent Geometry in Autonomous Driving

Modern autonomous driving depends on accurate metric 3D understanding for perception, reconstruction, and planning, which in turn requires reliable multi-camera depth prediction. However, the outward-facing nature of vehicle-mounted surround-view camera rigs inherently limits visual overlap across views, challenging the correspondence-based assumptions that underpin conventional multi-view geometry. To bridge this gap, we present SurroundNEXO, named after the Spanish word nexo for a geometric link, a low-overlap multi-camera metric depth framework that grounds cross-view reasoning in ego-centric geometry rather than dense visual correspondences. Instead of directly enforcing early global fusion, SurroundNEXO first assigns image tokens globally comparable ego-frame viewing directions through Ego-Ray Positional Encoding, then uses sparse LiDAR measurements as metric anchors to propagate absolute scale cues, and finally expands feature interaction progressively from view-local modeling to decomposed spatio-temporal reasoning and global integration. This design enables metric-scale depth prediction with improved spatial consistency across weakly overlapping cameras. Across low-overlap autonomous driving benchmarks, including NuScenes, Waymo and DDAD, SurroundNEXO reduces single-view error by 33.2%, improves cross-view consistency by 10.5%, and enhances metric reconstruction quality by 25.6% compared with SOTA methods. It further remains robust under extremely sparse depth prompts and exhibits strong zero-shot generalization to unseen camera layouts.

cs.CV↗
arXiv2026

Advancing Ligand-based Virtual Screening and Molecular Generation with Pretrained Molecular Embedding Distance

Molecular similarity plays a central role in ligand-based drug discovery, such as virtual screening, analog searching, and goal-directed molecular generation. However, traditional similarity measures, ranging from fingerprint-based Tanimoto coefficients to 3D shape overlays, are often computationally expensive at scale or rely on hand-crafted molecular descriptors. Meanwhile, many deep learning approaches to similarity-aware design still depend on similarity-specific supervision or costly data curation, limiting their generality across targets. In this work, we propose pretrained embedding distance (PED) as an effective alternative, computed directly from pretrained molecular models without task-specific training. Experimental results show that PED exhibits distinct correlations with traditional similarity metrics, and performs effectively in both ranking molecules for virtual screening and guiding molecular generation via reward design. These findings suggest that pretrained molecular embeddings capture rich structural information and can serve as a promising and scalable similarity measurement for modern AI-aided drug discovery.

cs.LG↗