arXiv subjects

Duo Zhang

Publications and source records attributed to Duo Zhang.

At least 19 recordsLinked to original sources

arXiv2026

Universal Machine-learning Molecular Dynamics at the Speed of Empirical Potentials

No interatomic potential has offered universality across chemistry, near-first-principles accuracy and the speed of empirical potentials at once. Here we introduce DPA4C, an equivariant potential whose architecture and compressed CUDA operators are co-designed under deployment constraints to pursue accuracy and efficiency together. Five variants spanning a 49-fold parameter range form the high-throughput end of the measured accuracy--throughput frontier. The largest variant approaches the accuracy of the MACE-Omat models at about two orders of magnitude higher measured throughput. The most compact reduces the energy, force and stress errors of the fastest existing universal MLIP by 61.4%, 48.1% and 34.3% at 1.92 times its saturated throughput. All five variants complete multimillion-atom simulations on a single GPU and run molecular dynamics for 2.048 billion atoms on 1,024 16-GB NVIDIA V100 GPUs at 83.3--91.2% weak-scaling efficiency. Compared with the MEAM empirical potential, DPA4C-Nano reaches 1.8 and 2.5 times the saturated throughput in single-GPU scans on the same V100 hardware for diamond carbon and FCC copper, respectively. DPA4C therefore brings quantum-trained universal accuracy into a regime of speed and system size previously associated with empirical potentials.

physics.chem-ph↗

arXiv2026

Teaching Foundation Models to Read mmWave: Pose-Guided Kinematic Representation for Human Behavior Understanding

Large language model agents need to perceive human behavior in physical environments. Millimeter-wave (mmWave) radar provides a privacy-friendly and contactless sensing modality, but radar observations are difficult to align with language. Existing radar-language methods often rely on synthetic data or lack explicit supervision for human body structure and motion. We present mmMind, a radar-language model that uses synchronized 3D pose as training-only supervision. A spatio-temporal radar encoder is pretrained to capture body configuration and motion dynamics, after which the pose head is removed so that inference requires radar alone. The learned radar representations are then aligned with an LLM for behavior captioning and spatio-temporal question answering. We also introduce mmMind-Bench, a real-world mmWave-language benchmark containing 17.9 hours of recordings from 23 participants across seven indoor environments. Experiments on captioning, question answering, and unseen-action generalization show that mmMind consistently outperforms existing radar-language baselines, while ablations confirm the importance of pose-guided pretraining.

cs.CV↗

arXiv2026

Emergence of Hexanematic Order in a Growing Confluent Cell Monolayer

Collective migration of epithelial layers underlies processes ranging from wound healing to cancer invasion. A defining yet challenging feature is the emergence of distinct cell morphologies within a single migrating confluent sheet, with larger, elongated cells at the active boundary and smaller, hexatically ordered cells in the bulk. Here, we develop a stochastic particle-Voronoi framework that captures this hexanematic organization without prescribing target geometries and distinct cell types. We show that boundary-driven collective motion generates an outward velocity gradient. This gradient, coupled to a density and velocity-dependent division rule, produces peripheral cells that are larger, more elongated, and more defect-prone, while bulk cells remain smaller, isotropic, and hexagonally packed. These results show how minimal, non-equilibrium mechanical interactions give rise to emergent, self-organized tissue-scale patterning during collective migration.

cond-mat.soft↗

arXiv2026

YouZhi: Towards High-Concurrency Financial LLMs via Adaptive GQA-to-MLA Transition

Large language models (LLMs) drive significant financial innovations, yet their high-concurrency deployment is severely bottlenecked by KV cache memory overhead, which inflates infrastructure costs and throttles scalability. To address this, we propose YouZhi-LLM, a highly efficient financial LLM empowered by a comprehensive structural transition and training pipeline natively built on the Huawei Ascend ecosystem. At its algorithmic core, YouZhi-LLM features a layer-adaptive GQA-to-MLA transition framework that dynamically assigns per-layer FreqFold sizes, maximizing KV-cache compression while minimizing perplexity degradation. To recover representation capacity and inject domain expertise, the Ascend-based training pipeline seamlessly integrates generalized knowledge distillation with financial-specific supervised fine-tuning. Evaluations demonstrate the superiority of this systematic approach, with the adaptive transition reducing perplexity degradation by up to 35% over uniform baselines. Crucially, when evaluated on Ascend NPUs via vLLM-Ascend, the massive KV-cache reduction translates directly into deployment efficiency. Compared to their respective base models, YouZhi-7B yields a 12.3% improvement in average financial benchmark score alongside a 2.69$\times$ increase in maximum concurrency; similarly, YouZhi-14B achieves a 7.0% accuracy gain and a 2.43$\times$ concurrency boost, establishing a new paradigm for cost-effective, high-throughput financial inference.

cs.CL↗

arXiv2026

DPA4: Pushing the Accuracy-Cost Frontier of Interatomic Potentials with EMFA SO(2) Convolution

Machine-learning interatomic potentials now approach quantum-mechanical accuracy, but the most expressive equivariant architectures are costly to evaluate, and the leading ones depend on auxiliary denoising or direct-force pretraining. We introduce DPA4, an SE(3)-equivariant architecture spanning six size classes from 0.48 to 25 million parameters and reaching the accuracy of the strongest published models at several-fold to an order-of-magnitude higher inference throughput. Its convolution couples edge and node features across all angular degrees in an edge-local frame, and its Wigner bilinear nonlinearity is universal in its full form and, on an exact quadrature grid, equivariant to machine precision. On Matbench Discovery, DPA4 leads every ranked metric, and every variant evaluated lies on the accuracy--throughput Pareto frontier of the compliant leaderboard. DPA4-Pro attains the lowest energy error on OMat24 and lower total-energy and force errors than the strongest conservative baseline on the OMol25 composition-validation split. All variants are trained through the conservative energy-gradient path alone, made practical by a threefold-faster compiled implementation. DPA4 thus brings leaderboard-class accuracy within the routine compute budgets of molecular-dynamics and materials-screening workflows, for both inorganic crystals and organic molecules.

physics.chem-ph↗

arXiv2026

CrystalREPA: Transferring Physical Priors from Universal MLIPs to Crystal Generative Models

Crystal generative models mainly learn what stable crystals look like, with little explicit supervision for what makes them stable. We reveal a substantial representation gap between state-of-the-art crystal generative models and pretrained universal machine learning interatomic potentials (MLIPs) via energy probing, and show this gap can be closed by a simple training-time alignment. We propose Crystal REPresentation Alignment (CrystalREPA), a plug-and-play framework that aligns the atom-wise hidden states of generative encoders with frozen MLIP representations through an element-aware contrastive objective, transferring stability-aware atomistic priors with marginal training overhead and no additional inference cost. Across three generative frameworks, ten MLIP teachers, and two benchmark datasets, CrystalREPA consistently improves the thermodynamic stability, structural validity, and structural fidelity of generated crystals. Equally important, we find that an MLIP's transfer effectiveness is poorly predicted by its accuracy on standard leaderboards (e.g., Matbench Discovery) but strongly predicted by the distinguishability of its atom-wise representation space, yielding a practical, accuracy-independent criterion for selecting MLIP teachers for generative transfer.

cond-mat.mtrl-sci↗

arXiv2026

Low Light Image Enhancement Challenge at NTIRE 2026

This paper presents a comprehensive review of the NTIRE 2026 Low Light Image Enhancement Challenge, highlighting the proposed solutions and final results. The objective of this challenge is to identify effective networks capable of producing clearer and visually compelling images in diverse and challenging conditions by learning representative visual cues with the purpose of restoring information loss due to low-contrast and noisy images. A total of 195 participants registered for the first track and 153 for the second track of the competition, and 22 teams ultimately submitted valid entries. This paper thoroughly evaluates the state-of-the-art advances in (joint denoising and) low-light image enhancement, showcasing the significant progress in the field, while leveraging samples of our novel dataset.

cs.CV↗

arXiv2026

Automating Computational Chemistry Workflows via OpenClaw and Domain-Specific Skills

This work presents a decoupled framework for multi-step computational chemistry automation built on OpenClaw. OpenClaw serves as the general-purpose agent for task coordination and supervision. Planning skills externalize task descriptions into executable task specifications, domain skills provide computational chemistry procedures, and the DPDispatcher skill grounds computation in heterogeneous HPC environments. In a methane-oxidation reactive MD case study, the framework coordinated cross-tool execution, supported bounded recovery from runtime failures, and extracted reaction networks.

physics.chem-ph↗

arXiv2026

Mixture of experts architectures for machine learning interatomic potentials

Machine Learning Interatomic Potentials (MLIPs) enable accurate large-scale atomistic simulations, yet improving their expressive capacity efficiently remains challenging. Here we systematically investigate Mixture-of-Experts (MoE) and Mixture-of-Linear-Experts (MoLE) architectures within the DPA3 framework for MLIPs and analyze the effects of routing strategies and expert designs. We show that sparse activation combined with shared experts yields substantial performance gains, and that nonlinear MoE formulations outperform MoLE when shared experts are present, underscoring the importance of nonlinear expert specialization. Furthermore, element-wise routing consistently surpasses configuration-level routing, while global MoE routing often leads to numerical instability. The resulting element-wise MoE model consistently outperforms all DPA3-based baselines across the OMol25, OMat24, and OC20M benchmarks. Analysis of routing patterns reveals chemically interpretable expert specialization aligned with periodic-table trends, indicating that the model effectively captures element-specific chemical characteristics for precise interatomic modeling.

physics.chem-ph↗

arXiv2026

Multi-Task Fine-Tuning Enables Robust Out-of-Distribution Generalization in Atomistic Models

Accurate de novo molecular and materials design requires structure-property models that generalize beyond known regimes. Although pretrained atomistic models achieve strong in-distribution accuracy after fine-tuning, their reliability under out-of-distribution (OOD) conditions remains unclear. We identify a critical failure mode in downstream adaptation: standard fine-tuning induces representation collapse, erasing pretrained chemical and structural priors and severely degrading OOD performance. To address this limitation, we propose multi-task fine-tuning (MFT), which jointly optimizes downstream property prediction with a physically grounded force-field objective inherited from pretraining. This approach preserves essential chemical priors while enabling task-specific adaptation. Across molecular and materials benchmarks, MFT consistently improves OOD generalization, approaching the theoretical limit set by in-distribution accuracy, while outperforming standard fine-tuning, training from scratch, and state-of-the-art task-specific models. These results establish safe adaptation as a central requirement for large atomistic models and position MFT as a practical and data-efficient pathway toward robust molecular and materials discovery.

physics.comp-ph↗

arXiv2026

MiMo-V2-Flash Technical Report

We present MiMo-V2-Flash, a Mixture-of-Experts (MoE) model with 309B total parameters and 15B active parameters, designed for fast, strong reasoning and agentic capabilities. MiMo-V2-Flash adopts a hybrid attention architecture that interleaves Sliding Window Attention (SWA) with global attention, with a 128-token sliding window under a 5:1 hybrid ratio. The model is pre-trained on 27 trillion tokens with Multi-Token Prediction (MTP), employing a native 32k context length and subsequently extended to 256k. To efficiently scale post-training compute, MiMo-V2-Flash introduces a novel Multi-Teacher On-Policy Distillation (MOPD) paradigm. In this framework, domain-specialized teachers (e.g., trained via large-scale reinforcement learning) provide dense and token-level reward, enabling the student model to perfectly master teacher expertise. MiMo-V2-Flash rivals top-tier open-weight models such as DeepSeek-V3.2 and Kimi-K2, despite using only 1/2 and 1/3 of their total parameters, respectively. During inference, by repurposing MTP as a draft model for speculative decoding, MiMo-V2-Flash achieves up to 3.6 acceptance length and 2.6x decoding speedup with three MTP layers. We open-source both the model weights and the three-layer MTP weights to foster open research and community collaboration.

cs.CL↗

arXiv2025

Let It Flow: Agentic Crafting on Rock and Roll, Building the ROME Model within an Open Agentic Learning Ecosystem

Agentic crafting requires LLMs to operate in real-world environments over multiple turns by taking actions, observing outcomes, and iteratively refining artifacts. Despite its importance, the open-source community lacks a principled, end-to-end ecosystem to streamline agent development. We introduce the Agentic Learning Ecosystem (ALE), a foundational infrastructure that optimizes the production pipeline for agentic model. ALE consists of three components: ROLL, a post-training framework for weight optimization; ROCK, a sandbox environment manager for trajectory generation; and iFlow CLI, an agent framework for efficient context engineering. We release ROME, an open-source agent grounded by ALE and trained on over one million trajectories. Our approach includes data composition protocols for synthesizing complex behaviors and a novel policy optimization algorithm, Interaction-Perceptive Agentic Policy Optimization (IPA), which assigns credit over semantic interaction chunks rather than individual tokens to improve long-horizon training stability. Empirically, we evaluate ROME within a structured setting and introduce Terminal Bench Pro, a benchmark with improved scale and contamination control. ROME demonstrates strong performance across benchmarks like SWE-bench Verified and Terminal Bench, proving the effectiveness of ALE.

cs.AI↗

arXiv2025

MiMo-Audio: Audio Language Models are Few-Shot Learners

Existing audio language models typically rely on task-specific fine-tuning to accomplish particular audio tasks. In contrast, humans are able to generalize to new audio tasks with only a few examples or simple instructions. GPT-3 has shown that scaling next-token prediction pretraining enables strong generalization capabilities in text, and we believe this paradigm is equally applicable to the audio domain. By scaling MiMo-Audio's pretraining data to over one hundred million of hours, we observe the emergence of few-shot learning capabilities across a diverse set of audio tasks. We develop a systematic evaluation of these capabilities and find that MiMo-Audio-7B-Base achieves SOTA performance on both speech intelligence and audio understanding benchmarks among open-source models. Beyond standard metrics, MiMo-Audio-7B-Base generalizes to tasks absent from its training data, such as voice conversion, style transfer, and speech editing. MiMo-Audio-7B-Base also demonstrates powerful speech continuation capabilities, capable of generating highly realistic talk shows, recitations, livestreaming and debates. At the post-training stage, we curate a diverse instruction-tuning corpus and introduce thinking mechanisms into both audio understanding and generation. MiMo-Audio-7B-Instruct achieves open-source SOTA on audio understanding benchmarks (MMSU, MMAU, MMAR, MMAU-Pro), spoken dialogue benchmarks (Big Bench Audio, MultiChallenge Audio) and instruct-TTS evaluations, approaching or surpassing closed-source models. Model checkpoints and full evaluation suite are available at https://github.com/XiaomiMiMo/MiMo-Audio.

cs.CL↗

arXiv2025

Bohrium + SciMaster: Building the Infrastructure and Ecosystem for Agentic Science at Scale

AI agents are emerging as a practical way to run multi-step scientific workflows that interleave reasoning with tool use and verification, pointing to a shift from isolated AI-assisted steps toward \emph{agentic science at scale}. This shift is increasingly feasible, as scientific tools and models can be invoked through stable interfaces and verified with recorded execution traces, and increasingly necessary, as AI accelerates scientific output and stresses the peer-review and publication pipeline, raising the bar for traceability and credible evaluation. However, scaling agentic science remains difficult: workflows are hard to observe and reproduce; many tools and laboratory systems are not agent-ready; execution is hard to trace and govern; and prototype AI Scientist systems are often bespoke, limiting reuse and systematic improvement from real workflow signals. We argue that scaling agentic science requires an infrastructure-and-ecosystem approach, instantiated in Bohrium+SciMaster. Bohrium acts as a managed, traceable hub for AI4S assets -- akin to a HuggingFace of AI for Science -- that turns diverse scientific data, software, compute, and laboratory systems into agent-ready capabilities. SciMaster orchestrates these capabilities into long-horizon scientific workflows, on which scientific agents can be composed and executed. Between infrastructure and orchestration, a \emph{scientific intelligence substrate} organizes reusable models, knowledge, and components into executable building blocks for workflow reasoning and action, enabling composition, auditability, and improvement through use. We demonstrate this stack with eleven representative master agents in real workflows, achieving orders-of-magnitude reductions in end-to-end scientific cycle time and generating execution-grounded signals from real workloads at multi-million scale.

cs.AI↗

arXiv2025

High-Performance Dual-Arm Task and Motion Planning for Tabletop Rearrangement

We propose Synchronous Dual-Arm Rearrangement Planner (SDAR), a task and motion planning (TAMP) framework for tabletop rearrangement, where two robot arms equipped with 2-finger grippers must work together in close proximity to rearrange objects whose start and goal configurations are strongly entangled. To tackle such challenges, SDAR tightly knit together its dependency-driven task planner (SDAR-T) and synchronous dual-arm motion planner (SDAR-M), to intelligently sift through a large number of possible task and motion plans. Specifically, SDAR-T applies a simple yet effective strategy to decompose the global object dependency graph induced by the rearrangement task, to produce more optimal dual-arm task plans than solutions derived from optimal task plans for a single arm. Leveraging state-of-the-art GPU SIMD-based motion planning tools, SDAR-M employs a layered motion planning strategy to sift through many task plans for the best synchronous dual-arm motion plan while ensuring high levels of success rate. Comprehensive evaluation demonstrates that SDAR delivers a 100% success rate in solving complex, non-monotone, long-horizon tabletop rearrangement tasks with solution quality far exceeding the previous state-of-the-art. Experiments on two UR-5e arms further confirm SDAR directly and reliably transfers to robot hardware. Source code and supplementary materials are available at https://github.com/arc-l/dual-arm.

cs.RO↗

arXiv2025

Towards Privacy-Preserving Range Queries with Secure Learned Spatial Index over Encrypted Data

With the growing reliance on cloud services for large-scale data management, preserving the security and privacy of outsourced datasets has become increasingly critical. While encrypting data and queries can prevent direct content exposure, recent research reveals that adversaries can still infer sensitive information via access pattern and search path analysis. However, existing solutions that offer strong access pattern privacy often incur substantial performance overhead. In this paper, we propose a novel privacy-preserving range query scheme over encrypted datasets, offering strong security guarantees while maintaining high efficiency. To achieve this, we develop secure learned spatial index (SLS-INDEX), a secure learned index that integrates the Paillier cryptosystem with a hierarchical prediction architecture and noise-injected buckets, enabling data-aware query acceleration in the encrypted domain. To further obfuscate query execution paths, SLS-INDEXbased Range Queries (SLRQ) employs a permutation-based secure bucket prediction protocol. Additionally, we introduce a secure point extraction protocol that generates candidate results to reduce the overhead of secure computation. We provide formal security analysis under realistic leakage functions and implement a prototype to evaluate its practical performance. Extensive experiments on both real-world and synthetic datasets demonstrate that SLRQ significantly outperforms existing solutions in query efficiency while ensuring dataset, query, result, and access pattern privacy.

cs.CR↗

arXiv2025

Dolphin v1.0 Technical Report

Ultrasound is crucial in modern medicine but faces challenges like operator dependence, image noise, and real-time scanning, hindering AI integration. While large multimodal models excel in other medical imaging areas, they struggle with ultrasound's complexities. To address this, we introduce Dolphin v1.0 (V1) and its reasoning-augmented version, Dolphin R1-the first large-scale multimodal ultrasound foundation models unifying diverse clinical tasks in a single vision-language framework.To tackle ultrasound variability and noise, we curated a 2-million-scale multimodal dataset, combining textbook knowledge, public data, synthetic samples, and general corpora. This ensures robust perception, generalization, and clinical adaptability.The Dolphin series employs a three-stage training strategy: domain-specialized pretraining, instruction-driven alignment, and reinforcement-based refinement. Dolphin v1.0 delivers reliable performance in classification, detection, regression, and report generation. Dolphin R1 enhances diagnostic inference, reasoning transparency, and interpretability through reinforcement learning with ultrasound-specific rewards.Evaluated on U2-Bench across eight ultrasound tasks, Dolphin R1 achieves a U2-score of 0.5835-over twice the second-best model (0.2968) setting a new state of the art. Dolphin v1.0 also performs competitively, validating the unified framework. Comparisons show reasoning-enhanced training significantly improves diagnostic accuracy, consistency, and interpretability, highlighting its importance for high-stakes medical AI.

cs.CV↗

arXiv2025

Time-Varying Factor-Augmented Models for Volatility Forecasting

Accurate volatility forecasts are vital in modern finance for risk management, portfolio allocation, and strategic decision-making. However, existing methods face key limitations. Fully multivariate models, while comprehensive, are computationally infeasible for realistic portfolios. Factor models, though efficient, primarily use static factor loadings, failing to capture evolving volatility co-movements when they are most critical. To address these limitations, we propose a novel, model-agnostic Factor-Augmented Volatility Forecast framework. Our approach employs a time-varying factor model to extract a compact set of dynamic, cross-sectional factors from realized volatilities with minimal computational cost. These factors are then integrated into both statistical and AI-based forecasting models, enabling a unified system that jointly models asset-specific dynamics and evolving market-wide co-movements. Our framework demonstrates strong performance across two prominent asset classes-large-cap U.S. technology equities and major cryptocurrencies-over both short-term (1-day) and medium-term (7-day) horizons. Using a suite of linear and non-linear AI-driven models, we consistently observe substantial improvements in predictive accuracy and economic value. Notably, a practical pairs-trading strategy built on our forecasts delivers superior risk-adjusted returns and profitability, particularly under adverse market conditions.

q-fin.ST↗