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Wenxuan Xie

Publications and source records attributed to Wenxuan Xie.

At least 19 recordsLinked to original sources
arXiv2026

PharmAgents2: Towards Autonomous End-to-End Drug Discovery

Drug discovery requires continuous scientific decision-making across a vast research space. We introduce PharmAgents2, an autonomous system for end-to-end drug discovery that combines knowledge-enhanced decision-making with organized large-scale exploration. Paper2Skill extracts transferable scientific decision knowledge from public sources and, together with expert-developed skills, supports research decisions. Self-Scaling Discovery expands exploration through parallel agents inheriting research context and decision-making capabilities across targets, scientific hypotheses, and discovery strategies. We introduce PharmAgents-Bench v0.1, comprising 121 questions across nine decision scenarios and three end-to-end tasks assessed with expert-defined process rubrics. PharmAgents2 outperforms evaluated baselines in most decision categories and achieves the highest process scores on all three end-to-end tasks. In three real-world studies, autonomous investigations generated findings subsequently supported by human-executed experiments. For LpxH, PharmAgents2 hypothesized a previously unreported allosteric site and screened compounds against it, identifying a novel inhibitor scaffold with experimentally confirmed inhibitory activity and binding. For JAK1, it prioritized a covalent inhibition strategy and nominated compounds with experimentally demonstrated activity. Starting from a known bioactive molecule, Self-Scaling Discovery explored candidate targets across the proteome and identified a new binding target, with the interaction subsequently confirmed experimentally. PharmAgents2 represents a prototype of a virtual pharmaceutical company, marking a step toward autonomous end-to-end drug discovery.

cs.AI↗
arXiv2026

Mage-VL-Cowork: A Full Training Recipe to Learn Hybrid Computer Use From Evolved Harnesses

Effective computer-use agents (CUAs) should seamlessly combine visual GUI interaction with code and terminal execution within a single policy. We present Mage-VL-Cowork, a 4B hybrid CUA trained from a general multimodally aligned checkpoint through an end-to-end, progressive five-stage curriculum across midtraining, SFT, and RL. To power this curriculum at scale, Mage-CUA-Forge replaces per-task agent construction with reusable, skill-conditioned generation workflows and application-specific preparers, synthesizing 293,806 desktop and web tasks across 6,915 skills while reducing recurring per-task expenditure by 82.6%. Rather than directly distilling a default teacher, we evolve the teacher harness and instantiate specialized CUA harnesses to yield high-quality trajectories alongside stage-specific supervision. Mage-VL-Cowork-4B finally climbs to 66.0% on OSWorld-Verified through different training stages with more efficient reasoning cost, achieving state-of-the-art performance at its parameter size and pushing forward the frontier of on-device intelligence.

cs.CL↗
arXiv2026

Socio-Foundation: A Model for Generalizable Individual Behavior Simulation via Hierarchical Capability Distillation

Simulating individual behavior requires large language models (LLMs) to preserve persona traits while adapting to dynamic social contexts. However, general-purpose LLMs often flatten distinct personas, while task-specific tuning suffers from fragmentation and generalization. To overcome these challenges, we organize individual simulation into the \textbf{FONTS Taxonomy}, comprising five complementary capability dimensions: \emph{persona fidelity} (\textbf{F}), \emph{outcome realization} (\textbf{O}), \emph{behavioral naturalness} (\textbf{N}), \emph{trajectory coherence} (\textbf{T}), and \emph{social grounding} (\textbf{S}). Grounded in this taxonomy, we curate a standardized training corpus library of approximately 10 million instances across 14 representative datasets and present \textbf{Socio-Foundation}. Socio-Foundation decouples specialization from integration via a three-stage pipeline: learning task experts via DAPO, consolidating them into capability experts via off-policy distillation, and unifying them via multi-teacher on-policy distillation (MOPD). We also establish \textbf{IndiEval}, consolidating 29 metrics across the FONTS dimensions. Experiments show that Socio-Foundation outperforms its \textit{Qwen3-8B} base by 11.0 points and approaches frontier models such as \textit{GLM-5.2}, with ablations and out-of-distribution evaluations further demonstrating the effectiveness and generalization of our model.

cs.AI↗
arXiv2026

PULSE: Unlocking Practical Image Compression on Single-Thread CPU

Despite recent progress in learned image compression, existing methods remain computationally expensive on resource-constrained hardware, particularly CPUs. We introduce PULSE, a practical codec that enables (1) low-latency decoding on diverse hardware platforms with an ultra-low-complexity 5.2 kMAC/pixel neural receiver, and (2) efficient bit-exact entropy coding with an integer linear CDF predictor and a meta prior. To recover compression performance under this tight budget, we introduce an agentic evolution process guided by heuristic probes that iteratively improves the architecture through human-LLM collaboration. PULSE decodes a 1080p image in 126 ms on a single CPU thread while achieving compression performance comparable to HM. After perceptual optimization, PULSE competes with larger perceptual codecs like MS-ILLM. Codes are at https://github.com/microsoft/GenCodec/tree/main/PULSE

cs.CV↗
arXiv2026

Beyond Representational Similarity: Source-Conditioned Description-Length Gain for Generative Plagiarism Detection and Candidate Source Reranking

Large language models (LLMs) pose challenges to academic integrity and peer review. Yet generative plagiarism detection remains an underexplored and largely unresolved challenge. Prior work on LLM-generated-text detection targets AI involvement, which may be permissible, rather than source reuse, while similarity-based methods struggle after extensive rewriting and multi-source synthesis. Motivated by the description-length view of probabilistic prediction, in which relevant side information can reduce a target sequence's code length, we introduce Source-Conditioned Description-Length Gain (SCDG), a directional, training-free framework that contrasts a frozen language model's description length of a suspicious document $P$ with and without a candidate source $S$. This contrast yields token-level log-likelihood gains that measure the incremental predictive evidence supplied by $S$. We evaluate SCDG on the PAN at CLEF benchmarks for generative plagiarism. On a PAN 2025-derived pairwise benchmark, SCDG achieves 0.92 Precision, 0.97 Recall, and 0.94 F1, outperforming all baselines; on PAN 2026's multi-source retrieval task, it reaches 0.83 nDCG@10 and 0.96 Recall@100, surpassing all baselines. On a same-topic, same-event Multi-News test, the calibrated gain-distribution SCDG classifier predicts source reuse for only $0.125\%$ of pairs, supporting robustness to topical overlap under this evaluation protocol. These results establish SCDG as a unified and token-decomposable signal for source-specific content reuse under extensive transformation.

cs.CL↗
arXiv2026

Mage-VL: An Efficient Codec-Native Streaming Multimodal Foundation Model

Standard vision-language models (VLMs) suffer from Moravec's paradox: they excel at complex offline visual reasoning but struggle with simple streaming perception tasks and process them inefficiently. We present Mage-VL, an efficient codec-native streaming foundation model for real-time multimodal understanding and interaction. At its core, our custom tokenizer, Mage-ViT, replaces uniform frame sampling by selectively encoding dynamic, entropy-rich regions using motion vectors and residual energy across sparse anchor (I) and predicted (P) frames. Operating at a 16 x 16 patch level, this reduces visual token consumption by over 75% while preserving spatiotemporal context. Trained from scratch on approximately 560M unlabeled images and 100M unlabeled video frames, Mage-ViT matches or outperforms flagship encoders trained on billions of image-text pairs. We establish AI4AI data pipelines encompassing prompt-code joint optimization for multimodal captioning and AI-driven performance diagnosis to guide training recipes. Furthermore, through a bio-inspired dual-system architecture - a lightweight System 1 event gate and a causal System 2 decoder - Mage-VL enables proactive streaming perception. Extensive evaluations show that Mage-VL-4B matches Qwen3-VL-4B on static tasks while achieving strong gains in video understanding and 2D/3D spatial reasoning, with up to a 3.5x wall-clock inference speedup, and comprehensively surpasses the 15B Phi-4-reasoning-vision baseline. Beyond model artifacts, we deliver seven key empirical findings covering pre-training data efficiency, variable-resolution scaling, codec system acceleration, VideoQA SFT redundancy, motion-spatial synergy, AI4AI data pipelines, and Zero-Vision SFT for multimodal RL.

cs.CV↗
arXiv2026

Mage-Flow: An Efficient Native-Resolution Foundation Model for Image Generation and Editing

Large-scale visual generators are increasingly capable but costly to train, fine-tune, and deploy. We introduce Mage-Flow, a compact 4B-scale generative stack for efficient text-to-image generation and instruction-based image editing. The stack is built from two co-designed components: Mage-VAE, a lightweight high-fidelity latent tokenizer, and a Native-Resolution Multimodal Diffusion Transformer trained with rectified flow matching. Mage-VAE uses one-step diffusion-style encoding and decoding with anchor-latent regularization, preserving the reconstruction quality of strong public VAEs while reducing tokenization cost by more than an order of magnitude. Together with native-resolution packing and stack-level CUDA kernel fusion, the stack supports flexible-resolution training and improves end-to-end training throughput by about $2.5\times$. Built on this foundation, we develop a complete model family with Base, RL-aligned, and Turbo variants for both generation and editing. Diffusion-NFT improves prompt following, text rendering, aesthetic quality, and editing fidelity, while few-step distillation with adversarial perceptual guidance produces 4-step Turbo models for low-latency inference. Despite its compact scale, Mage-Flow and Mage-Flow-Edit achieves competitive performance across standard generation and editing benchmarks. More importantly, the Turbo variants make high-resolution generation and editing practical for interactive use: at $1024^2$ resolution on a single NVIDIA A100 GPU, Mage-Flow-Turbo generates an image in 0.59s, and Mage-Flow-Edit-Turbo edits an image in 1.02s, while maintaining a small memory footprint. These results show that careful tokenizer--backbone--system co-design can deliver strong high-resolution generation and editing within an efficient 4B model family.

cs.CV↗
arXiv2026

Ultra-Fast Neural Video Compression

While neural video codecs (NVCs) have demonstrated superior compression ratio, their prohibitive computational complexity remains a critical barrier to real-world deployment. This paper introduces a chunk-based coding framework designed to significantly improve the rate-distortion-complexity trade-off. Instead of processing frames sequentially, our approach encodes a chunk of multiple frames into a single compact latent representation and decodes them simultaneously. This is enabled by cross-frame interaction modules for joint spatial-temporal modeling and frame-specific decoders for parallel reconstruction. This paradigm not only dramatically enhances coding throughput but also facilitates more effective modeling of long-term temporal correlations. To further boost speed, we propose a streamlined entropy coding mechanism that consolidates bit-stream interactions into a single step, substantially reducing decoding overhead. Building on these innovations, we present DCVC-UF (Ultra-Fast), a new NVC that sets a new SOTA in performance. Our experiments show that DCVC-UF can achieve ultra-fast encoding and decoding speeds, significantly outperforming previous leading codecs. DCVC-UF serves as a notable landmark in the journey of NVC evolution. The code is at https://github.com/microsoft/DCVC.

cs.CV↗
arXiv2026

Information-Theoretic Geometry Optimization and Physics-Aware Learning for Calibration-Free Magnetic Localization

Wireless localization of permanent magnets enables occlusion-free guidance for medical interventions, yet its practical accuracy is fundamentally limited by two coupled challenges: the poor observability of conventional planar sensor arrays and the simulation-to-reality (Sim-to-Real) gap of learning-based estimators. To address these issues, this article presents a unified framework that combines information-theoretic sensor geometry optimization with physics-aware deep learning. First, a rigorous Fisher Information Matrix (FIM)-based evaluation framework is established to quantify geometry-induced observability limitations. The results show that a staggered split-array topology provides a substantially stronger observability foundation for localization while remaining compatible with practical external deployment. Second, building on this optimized sensing configuration, we propose Phy-GAANet, a calibration-free estimator trained entirely on hardware-aware synthetic data. By incorporating Physics-Informed Features (PIF) for saturation modeling and Geometry-Aware Attention (GAA) for preserving cross-layer vector structure, the network effectively bridges the Sim-to-Real gap. Extensive real-world experiments demonstrate state-of-the-art performance, achieving a position error of 1.84 mm and an orientation error of 3.18 degrees at a refresh rate exceeding 270 Hz. The proposed method consistently outperforms classical Levenberg--Marquardt solvers and generic convolutional baselines, particularly in suppressing catastrophic outliers and maintaining robustness in challenging near-field boundary regions. Beyond the proposed network, the FIM-guided analysis also provides a framework for sensor geometry design in magnetic localization systems under practical deployment constraints.

cs.RO↗
arXiv2026

SWIFT: Mapping Sub-series with Wavelet Decomposition Improves Time Series Forecasting

In recent work on time-series prediction, Transformers and even large language models have garnered significant attention due to their strong capabilities in sequence modeling. However, in practical deployments, time-series prediction often requires operation in resource-constrained environments, such as edge devices, which are unable to handle the computational overhead of large models. To address such scenarios, some lightweight models have been proposed, but they exhibit poor performance on non-stationary sequences. In this paper, we propose $\textit{SWIFT}$, a lightweight model that is not only powerful, but also efficient in deployment and inference for Long-term Time Series Forecasting (LTSF). Our model is based on three key points: (i) Utilizing wavelet transform to perform lossless downsampling of time series. (ii) Achieving cross-band information fusion with a learnable filter. (iii) Using only one shared linear layer or one shallow MLP for sub-series' mapping. We conduct comprehensive experiments, and the results show that $\textit{SWIFT}$ achieves state-of-the-art (SOTA) performance on multiple datasets, offering a promising method for edge computing and deployment in this task. Moreover, it is noteworthy that the number of parameters in $\textit{SWIFT-Linear}$ is only 25\% of what it would be with a single-layer linear model for time-domain prediction. Our code is available at https://github.com/LancelotXWX/SWIFT.

cs.LG↗
arXiv2026

Decoupled Reasoning with Implicit Fact Tokens (DRIFT): A Dual-Model Framework for Efficient Long-Context Inference

The integration of extensive, dynamic knowledge into Large Language Models (LLMs) remains a significant challenge due to the inherent entanglement of factual data and reasoning patterns. Existing solutions, ranging from non-parametric Retrieval-Augmented Generation (RAG) to parametric knowledge editing, are often constrained in practice by finite context windows, retriever noise, or the risk of catastrophic forgetting. In this paper, we propose DRIFT, a novel dual-model architecture designed to explicitly decouple knowledge extraction from the reasoning process. Unlike static prompt compression, DRIFT employs a lightweight knowledge model to dynamically compress document chunks into implicit fact tokens conditioned on the query. These dense representations are projected into the reasoning model's embedding space, replacing raw, redundant text while maintaining inference accuracy. Extensive experiments show that DRIFT significantly improves performance on long-context tasks, outperforming strong baselines among comparably sized models. Our approach provides a scalable and efficient paradigm for extending the effective context window and reasoning capabilities of LLMs. Our code is available at https://github.com/Lancelot-Xie/DRIFT.

cs.CL↗
arXiv2026

Non-Hermitian Band Topology and Edge States in Atomic Lattices

We investigate the band structure and topological phases of one- and two-dimensional bipartite atomic lattices mediated by long-range dissipative radiative coupling. By deriving an effective non-Hermitian Hamiltonian for the single-excitation sector, we demonstrate that the low-energy dynamics of the system are governed by a Dirac equation with a complex Fermi velocity. We analyze the associated topological invariants for both the SSH and honeycomb models, utilizing synthetic gauge fields to break time-reversal symmetry in the latter. Finally, we explicitly verify the non-Hermitian bulk-edge correspondence by deriving analytical solutions for edge states localized at domain boundaries.

quant-ph↗
arXiv2025

Band Structure and Dynamics of Single Photons in Atomic Lattices

We present a framework to investigate the collective properties of atomic lattices in one, two, and three dimensions. We analyze the single-photon band structure and associated atomic decay rates, revealing a fundamental dependence on dimensionality. One- and two-dimensional arrays are shown to be inherently radiative, exhibiting band gaps and decay rates that oscillate between superradiant and subradiant regimes, as a function of lattice spacing. In contrast, three-dimensional lattices are found to be fundamentally non-radiative due to the inhibition of spontaneous emission, with decay only at discrete Bragg resonances. Furthermore, we demonstrate that this structural difference dictates the system dynamics, which crosses over from dissipative decay in lower dimensions to coherent transport in three dimensions. Our results provide insight into cooperative effects in atomic arrays at the single-photon level.

quant-ph↗
arXiv2025

Long Video Understanding with Learnable Retrieval in Video-Language Models

The remarkable natural language understanding, reasoning, and generation capabilities of large language models (LLMs) have made them attractive for application to video understanding, utilizing video tokens as contextual input. However, employing LLMs for long video understanding presents significant challenges. The extensive number of video tokens leads to considerable computational costs for LLMs while using aggregated tokens results in loss of vision details. Moreover, the presence of abundant question-irrelevant tokens introduces noise to the video reasoning process. To address these issues, we introduce a simple yet effective learnable retrieval-based video-language model (R-VLM) for efficient long video understanding. Specifically, given a question (query) and a long video, our model identifies and selects the most relevant K video chunks and uses their associated visual tokens to serve as context for the LLM inference. This effectively reduces the number of video tokens, eliminates noise interference, and enhances system performance. We achieve this by incorporating a learnable lightweight MLP block to facilitate the efficient retrieval of question-relevant chunks, through the end-to-end training of our video-language model with a proposed soft matching loss. Our experimental results on multiple zero-shot video question answering datasets validate the effectiveness of our framework for comprehending long videos.

cs.CV↗
arXiv2025

SDE-SQL: Enhancing Text-to-SQL Generation in Large Language Models via Self-Driven Exploration with SQL Probes

Recent advancements in large language models (LLMs) have significantly improved performance on the Text-to-SQL task. However, prior approaches typically rely on static, pre-processed database information provided at inference time, which limits the model's ability to fully understand the database contents. Without dynamic interaction, LLMs are constrained to fixed, human-provided context and cannot autonomously explore the underlying data. To address this limitation, we propose SDE-SQL, a framework that enables large language models to perform self-driven exploration of databases during inference. This is accomplished by generating and executing SQL probes, which allow the model to actively retrieve information from the database and iteratively update its understanding of the data. Unlike prior methods, SDE-SQL operates in a zero-shot setting, without relying on any question-SQL pairs as in-context demonstrations. When evaluated on the BIRD benchmark with Qwen2.5-72B-Instruct, SDE-SQL achieves an 8.02% relative improvement in execution accuracy over the vanilla Qwen2.5-72B-Instruct baseline, establishing a new state-of-the-art among methods based on open-source models without supervised fine-tuning (SFT) or model ensembling. Moreover, with SFT, the performance of SDE-SQL can be further enhanced, yielding an additional 0.52% improvement.

cs.CL↗
arXiv2025

ReEx-SQL: Reasoning with Execution-Aware Reinforcement Learning for Text-to-SQL

In Text-to-SQL, execution feedback is essential for guiding large language models (LLMs) to reason accurately and generate reliable SQL queries. However, existing methods treat execution feedback solely as a post-hoc signal for correction or selection, failing to integrate it into the generation process. This limitation hinders their ability to address reasoning errors as they occur, ultimately reducing query accuracy and robustness. To address this issue, we propose ReEx-SQL (Reasoning with Execution-Aware Reinforcement Learning), a framework for Text-to-SQL that enables models to interact with the database during decoding and dynamically adjust their reasoning based on execution feedback. ReEx-SQL introduces an execution-aware reasoning paradigm that interleaves intermediate SQL execution into reasoning paths, facilitating context-sensitive revisions. It achieves this through structured prompts with markup tags and a stepwise rollout strategy that integrates execution feedback into each stage of generation. To supervise policy learning, we develop a composite reward function that includes an exploration reward, explicitly encouraging effective database interaction. Additionally, ReEx-SQL adopts a tree-based decoding strategy to support exploratory reasoning, enabling dynamic expansion of alternative reasoning paths. Notably, ReEx-SQL achieves 88.8% on Spider and 64.9% on BIRD at the 7B scale, surpassing the standard reasoning baseline by 2.7% and 2.6%, respectively. It also shows robustness, achieving 85.2% on Spider-Realistic with leading performance. In addition, its tree-structured decoding improves efficiency and performance over linear decoding, reducing inference time by 51.9% on the BIRD development set.

cs.CL↗
arXiv2025

Two-photon superradiance and subradiance

We consider the problem of two-photon cooperative emission in systems of two-level atoms. Two physically distinct regimes are analyzed. First, we investigate the case of a small number of atoms. We study the evolution of two-photon super- and sub-radiant states and associated two-photon spectra. Second, we investigate the problem of a constant density of atoms confined to a spherical volume. We analyze separately the cases in which the radius is small or large in comparison to the resonant wavelength.

quant-ph↗
arXiv2025

PharmAgents: Building a Virtual Pharma with Large Language Model Agents

The discovery of novel small molecule drugs remains a critical scientific challenge with far-reaching implications for treating diseases and advancing human health. Traditional drug development--especially for small molecule therapeutics--is a highly complex, resource-intensive, and time-consuming process that requires multidisciplinary collaboration. Recent breakthroughs in artificial intelligence (AI), particularly the rise of large language models (LLMs), present a transformative opportunity to streamline and accelerate this process. In this paper, we introduce PharmAgents, a virtual pharmaceutical ecosystem driven by LLM-based multi-agent collaboration. PharmAgents simulates the full drug discovery workflow--from target discovery to preclinical evaluation--by integrating explainable, LLM-driven agents equipped with specialized machine learning models and computational tools. Through structured knowledge exchange and automated optimization, PharmAgents identifies potential therapeutic targets, discovers promising lead compounds, enhances binding affinity and key molecular properties, and performs in silico analyses of toxicity and synthetic feasibility. Additionally, the system supports interpretability, agent interaction, and self-evolvement, enabling it to refine future drug designs based on prior experience. By showcasing the potential of LLM-powered multi-agent systems in drug discovery, this work establishes a new paradigm for autonomous, explainable, and scalable pharmaceutical research, with future extensions toward comprehensive drug lifecycle management.

q-bio.BM↗