arXiv subjects

Hao Zhou

Publications and source records attributed to Hao Zhou.

At least 199 records · Page 11Linked to original sources

arXiv2025

Empower Structure-Based Molecule Optimization with Gradient Guided Bayesian Flow Networks

Structure-Based molecule optimization (SBMO) aims to optimize molecules with both continuous coordinates and discrete types against protein targets. A promising direction is to exert gradient guidance on generative models given its remarkable success in images, but it is challenging to guide discrete data and risks inconsistencies between modalities. To this end, we leverage a continuous and differentiable space derived through Bayesian inference, presenting Molecule Joint Optimization (MolJO), the gradient-based SBMO framework that facilitates joint guidance signals across different modalities while preserving SE(3)-equivariance. We introduce a novel backward correction strategy that optimizes within a sliding window of the past histories, allowing for a seamless trade-off between explore-and-exploit during optimization. MolJO achieves state-of-the-art performance on CrossDocked2020 benchmark (Success Rate 51.3%, Vina Dock -9.05 and SA 0.78), more than 4x improvement in Success Rate compared to the gradient-based counterpart, and 2x "Me-Better" Ratio as much as 3D baselines. Furthermore, we extend MolJO to a wide range of optimization settings, including multi-objective optimization and challenging tasks in drug design such as R-group optimization and scaffold hopping, further underscoring its versatility. Code is available at https://github.com/AlgoMole/MolCRAFT.

q-bio.BM↗

arXiv2025

Piloting Structure-Based Drug Design via Modality-Specific Optimal Schedule

Structure-Based Drug Design (SBDD) is crucial for identifying bioactive molecules. Recent deep generative models are faced with challenges in geometric structure modeling. A major bottleneck lies in the twisted probability path of multi-modalities -- continuous 3D positions and discrete 2D topologies -- which jointly determine molecular geometries. By establishing the fact that noise schedules decide the Variational Lower Bound (VLB) for the twisted probability path, we propose VLB-Optimal Scheduling (VOS) strategy in this under-explored area, which optimizes VLB as a path integral for SBDD. Our model effectively enhances molecular geometries and interaction modeling, achieving state-of-the-art PoseBusters passing rate of 95.9% on CrossDock, more than 10% improvement upon strong baselines, while maintaining high affinities and robust intramolecular validity evaluated on held-out test set. Code is available at https://github.com/AlgoMole/MolCRAFT.

q-bio.BM↗

arXiv2025

Trusted Fake Audio Detection Based on Dirichlet Distribution

With the continuous development of deep learning-based speech conversion and speech synthesis technologies, the cybersecurity problem posed by fake audio has become increasingly serious. Previously proposed models for defending against fake audio have attained remarkable performance. However, they all fall short in modeling the trustworthiness of the decisions made by the models themselves. Based on this, we put forward a plausible fake audio detection approach based on the Dirichlet distribution with the aim of enhancing the reliability of fake audio detection. Specifically, we first generate evidence through a neural network. Uncertainty is then modeled using the Dirichlet distribution. By modeling the belief distribution with the parameters of the Dirichlet distribution, an estimate of uncertainty can be obtained for each decision. Finally, the predicted probabilities and corresponding uncertainty estimates are combined to form the final opinion. On the ASVspoof series dataset (i.e., ASVspoof 2019 LA, ASVspoof 2021 LA, and DF), we conduct a number of comparison experiments to verify the excellent performance of the proposed model in terms of accuracy, robustness, and trustworthiness.

cs.SD↗

arXiv2025

APB: Accelerating Distributed Long-Context Inference by Passing Compressed Context Blocks across GPUs

While long-context inference is crucial for advancing large language model (LLM) applications, its prefill speed remains a significant bottleneck. Current approaches, including sequence parallelism strategies and compute reduction through approximate attention mechanisms, still fall short of delivering optimal inference efficiency. This hinders scaling the inputs to longer sequences and processing long-context queries in a timely manner. To address this, we introduce APB, an efficient long-context inference framework that leverages multi-host approximate attention to enhance prefill speed by reducing compute and enhancing parallelism simultaneously. APB introduces a communication mechanism for essential key-value pairs within a sequence parallelism framework, enabling a faster inference speed while maintaining task performance. We implement APB by incorporating a tailored FlashAttn kernel alongside optimized distribution strategies, supporting diverse models and parallelism configurations. APB achieves speedups of up to 9.2x, 4.2x, and 1.6x compared with FlashAttn, RingAttn, and StarAttn, respectively, without any observable task performance degradation. We provide the implementation and experiment code of APB in https://github.com/thunlp/APB.

cs.LG↗

arXiv2025

Enhancing Large Language Models (LLMs) for Telecommunications using Knowledge Graphs and Retrieval-Augmented Generation

Large language models (LLMs) have made significant progress in general-purpose natural language processing tasks. However, LLMs are still facing challenges when applied to domain-specific areas like telecommunications, which demands specialized expertise and adaptability to evolving standards. This paper presents a novel framework that combines knowledge graph (KG) and retrieval-augmented generation (RAG) techniques to enhance LLM performance in the telecom domain. The framework leverages a KG to capture structured, domain-specific information about network protocols, standards, and other telecom-related entities, comprehensively representing their relationships. By integrating KG with RAG, LLMs can dynamically access and utilize the most relevant and up-to-date knowledge during response generation. This hybrid approach bridges the gap between structured knowledge representation and the generative capabilities of LLMs, significantly enhancing accuracy, adaptability, and domain-specific comprehension. Our results demonstrate the effectiveness of the KG-RAG framework in addressing complex technical queries with precision. The proposed KG-RAG model attained an accuracy of 88% for question answering tasks on a frequently used telecom-specific dataset, compared to 82% for the RAG-only and 48% for the LLM-only approaches.

cs.CL↗

arXiv2025

SpaceR: Reinforcing MLLMs in Video Spatial Reasoning

Video spatial reasoning, which involves inferring the underlying spatial structure from observed video frames, poses a significant challenge for existing Multimodal Large Language Models (MLLMs). This limitation stems primarily from 1) the absence of high-quality datasets for this task, and 2) the lack of effective training strategies to develop spatial reasoning capabilities. Motivated by the success of Reinforcement Learning with Verifiable Reward (RLVR) in unlocking LLM reasoning abilities, this work aims to improve MLLMs in video spatial reasoning through the RLVR paradigm. To this end, we introduce the $\textbf{SpaceR}$ framework. First, we present $\textbf{SpaceR-151k}$, a dataset with 91k questions spanning diverse spatial reasoning scenarios with verifiable answers, and 60k samples for maintaining general multimodal understanding. Second, we propose $\textbf{Spatially-Guided RLVR (SG-RLVR)}$, a novel reinforcement learning approach that extends Group Relative Policy Optimization (GRPO) with a novel map imagination mechanism, which encourages the model to infer spatial layouts in the thinking process, thereby facilitating more effective spatial reasoning. Extensive experiments demonstrate that SpaceR achieves state-of-the-art performance on spatial reasoning benchmarks (e.g., VSI-Bench, STI-Bench, and SPAR-Bench), while maintaining competitive results on video understanding benchmarks (e.g., Video-MME, TempCompass, and LongVideoBench). Remarkably, SpaceR surpasses the advanced GPT-4o by 11.6\% accuracy on VSI-Bench and is on par with the leading proprietary model Gemini-2.0-Flash, highlighting the effectiveness of our SpaceR-151k dataset and SG-RLVR in reinforcing spatial reasoning ability of MLLMs. Code, model, and dataset are available at https://github.com/OuyangKun10/SpaceR.

cs.CV↗

arXiv2025

DAPO: An Open-Source LLM Reinforcement Learning System at Scale

Inference scaling empowers LLMs with unprecedented reasoning ability, with reinforcement learning as the core technique to elicit complex reasoning. However, key technical details of state-of-the-art reasoning LLMs are concealed (such as in OpenAI o1 blog and DeepSeek R1 technical report), thus the community still struggles to reproduce their RL training results. We propose the $\textbf{D}$ecoupled Clip and $\textbf{D}$ynamic s$\textbf{A}$mpling $\textbf{P}$olicy $\textbf{O}$ptimization ($\textbf{DAPO}$) algorithm, and fully open-source a state-of-the-art large-scale RL system that achieves 50 points on AIME 2024 using Qwen2.5-32B base model. Unlike previous works that withhold training details, we introduce four key techniques of our algorithm that make large-scale LLM RL a success. In addition, we open-source our training code, which is built on the verl framework, along with a carefully curated and processed dataset. These components of our open-source system enhance reproducibility and support future research in large-scale LLM RL.

cs.LG↗

arXiv2025

Understanding 6G through Language Models: A Case Study on LLM-aided Structured Entity Extraction in Telecom Domain

Knowledge understanding is a foundational part of envisioned 6G networks to advance network intelligence and AI-native network architectures. In this paradigm, information extraction plays a pivotal role in transforming fragmented telecom knowledge into well-structured formats, empowering diverse AI models to better understand network terminologies. This work proposes a novel language model-based information extraction technique, aiming to extract structured entities from the telecom context. The proposed telecom structured entity extraction (TeleSEE) technique applies a token-efficient representation method to predict entity types and attribute keys, aiming to save the number of output tokens and improve prediction accuracy. Meanwhile, TeleSEE involves a hierarchical parallel decoding method, improving the standard encoder-decoder architecture by integrating additional prompting and decoding strategies into entity extraction tasks. In addition, to better evaluate the performance of the proposed technique in the telecom domain, we further designed a dataset named 6GTech, including 2390 sentences and 23747 words from more than 100 6G-related technical publications. Finally, the experiment shows that the proposed TeleSEE method achieves higher accuracy than other baseline techniques, and also presents 5 to 9 times higher sample processing speed.

cs.CL↗

arXiv2025

Thermal boundary conductance in standalone and non-standalone GaN/AlN heterostructures predicted using machine learning interatomic potentials

GaN/AlN interfaces are essential in advanced high-power and high-frequency electronic devices, where effective thermal management is crucial for optimal performance and reliability. This work investigates the thermal boundary conductance (TBC) of standalone and non-standalone GaN/AlN heterostructures using non-equilibrium molecular dynamics (NEMD) driven by accurate machine learning interatomic potentials trained from density-functional theory calculations. For the standalone interface, the TBC is found to be ~600 MW m-2 K-1 at room temperature after quantum correction, with possible ~60% elastic and ~40% inelastic contributions. The result revises previous NEMD predictions (400 - 2000 MW m-2 K-1) using empirical interatomic potentials. When a second GaN/AlN interface is brought close to the original interface, the TBC of the original interface can increase to 1000 MW m-2 K-1, and this value gradually decreases with increasing distance between the two interfaces. When multiple interfaces are introduced in proximity, the first interface's TBC can be further enhanced to above 1150 MW m-2 K-1. After comparing double interfaces, superlattices, and random multilayers, it is concluded that such enhancement of TBC is not caused by the emergence of coherent superlattice modes but rather by the ballistic transport of the original bulk phonon modes of each material. Additionally, a "critical separation distance" (l_cs) is defined as the threshold beyond which the two interfaces no longer influence each other and behave independently. l_cs is determined by the mean free path of the phonons filtered by the interfaces that transport in the middle layer between two interfaces. Our findings provide insights into the thermal transport mechanisms that may aid the design of future electronic devices.

cond-mat.mes-hall↗

arXiv2025

Empirical Performance Evaluation of Lane Keeping Assist on Modern Production Vehicles

Leveraging a newly released open dataset of Lane Keeping Assist (LKA) systems from production vehicles, this paper presents the first comprehensive empirical analysis of real-world LKA performance. Our study yields three key findings: (i) LKA failures can be systematically categorized into perception, planning, and control errors. We present representative examples of each failure mode through in-depth analysis of LKA-related CAN signals, enabling both justification of the failure mechanisms and diagnosis of when and where each module begins to degrade; (ii) LKA systems tend to follow a fixed lane-centering strategy, often resulting in outward drift that increases linearly with road curvature, whereas human drivers proactively steer slightly inward on similar curved segments; (iii) We provide the first statistical summary and distribution analysis of environmental and road conditions under LKA failures, identifying with statistical significance that faded lane markings, low pavement laneline contrast, and sharp curvature are the most dominant individual factors, along with critical combinations that substantially increase failure likelihood. Building on these insights, we propose a theoretical model that integrates road geometry, speed limits, and LKA steering capability to inform infrastructure design. Additionally, we develop a machine learning-based model to assess roadway readiness for LKA deployment, offering practical tools for safer infrastructure planning, especially in rural areas. This work highlights key limitations of current LKA systems and supports the advancement of safer and more reliable autonomous driving technologies.

cs.RO↗

arXiv2025

Bridging Human Oversight and Black-box Driver Assistance: Vision-Language Models for Predictive Alerting in Lane Keeping Assist Systems

Lane Keeping Assist systems, while increasingly prevalent, often suffer from unpredictable real-world failures, largely due to their opaque, black-box nature, which limits driver anticipation and trust. To bridge the gap between automated assistance and effective human oversight, we present LKAlert, a novel supervisory alert system that leverages VLM to forecast potential LKA risk 1-3 seconds in advance. LKAlert processes dash-cam video and CAN data, integrating surrogate lane segmentation features from a parallel interpretable model as automated guiding attention. Unlike traditional binary classifiers, LKAlert issues both predictive alert and concise natural language explanation, enhancing driver situational awareness and trust. To support the development and evaluation of such systems, we introduce OpenLKA-Alert, the first benchmark dataset designed for predictive and explainable LKA failure warnings. It contains synchronized multimodal inputs and human-authored justifications across annotated temporal windows. We further contribute a generalizable methodological framework for VLM-based black-box behavior prediction, combining surrogate feature guidance with LoRA. This framework enables VLM to reason over structured visual context without altering its vision backbone, making it broadly applicable to other complex, opaque systems requiring interpretable oversight. Empirical results correctly predicts upcoming LKA failures with 69.8% accuracy and a 58.6\% F1-score. The system also generates high-quality textual explanations for drivers (71.7 ROUGE-L) and operates efficiently at approximately 2 Hz, confirming its suitability for real-time, in-vehicle use. Our findings establish LKAlert as a practical solution for enhancing the safety and usability of current ADAS and offer a scalable paradigm for applying VLMs to human-centered supervision of black-box automation.

cs.RO↗

arXiv2025

MobA: Multifaceted Memory-Enhanced Adaptive Planning for Efficient Mobile Task Automation

Existing Multimodal Large Language Model (MLLM)-based agents face significant challenges in handling complex GUI (Graphical User Interface) interactions on devices. These challenges arise from the dynamic and structured nature of GUI environments, which integrate text, images, and spatial relationships, as well as the variability in action spaces across different pages and tasks. To address these limitations, we propose MobA, a novel MLLM-based mobile assistant system. MobA introduces an adaptive planning module that incorporates a reflection mechanism for error recovery and dynamically adjusts plans to align with the real environment contexts and action module's execution capacity. Additionally, a multifaceted memory module provides comprehensive memory support to enhance adaptability and efficiency. We also present MobBench, a dataset designed for complex mobile interactions. Experimental results on MobBench and AndroidArena demonstrate MobA's ability to handle dynamic GUI environments and perform complex mobile tasks.

cs.MA↗

arXiv2025

AI-CDA4All: Democratizing Cooperative Autonomous Driving for All Drivers via Affordable Dash-cam Hardware and Open-source AI Software

As transportation technology advances, the demand for connected vehicle infrastructure has greatly increased to improve their efficiency and safety. One area of advancement, Cooperative Driving Automation (CDA) still relies on expensive autonomy sensors or connectivity units and are not interoperable across existing market car makes/models, limiting its scalability on public roads. To fill these gaps, this paper presents a novel approach to democratizing CDA technology, it leverages low-cost, commercially available edge devices such as vehicle dash-cams and open-source software to make the technology accessible and scalable to be used in transportation infrastructure and broader public domains. This study also investigates the feasibility of utilizing cost-effective communication protocols based on LTE and WiFi. These technologies enable lightweight Vehicle-to-Everything (V2X) communications, facilitating real-time data exchange between vehicles and infrastructure. Our research and development efforts are aligned with industrial standards to ensure compatibility and future integration into existing transportation ecosystems. By prioritizing infrastructure-oriented applications, such as improved traffic flow management, this approach seeks to deliver tangible societal benefits without directly competing with vehicle OEMs. As recent advancement of Generative AI (GenAI), there is no standardized integration of GenAI technologies into open-source CDAs, as the current trends of muiltimodal large language models gain popularity, we demonstrated a feasible locally deployed edge LLM models can enhance driving experience while preserving privacy and security compared to cloud-connected solutions. The proposed system underscores the potential of low-cost, scalable solutions in advancing CDA functionality, paving the way for smarter, safer, and more inclusive transportation networks.

eess.SY↗

arXiv2025

Gemini: A Family of Highly Capable Multimodal Models

This report introduces a new family of multimodal models, Gemini, that exhibit remarkable capabilities across image, audio, video, and text understanding. The Gemini family consists of Ultra, Pro, and Nano sizes, suitable for applications ranging from complex reasoning tasks to on-device memory-constrained use-cases. Evaluation on a broad range of benchmarks shows that our most-capable Gemini Ultra model advances the state of the art in 30 of 32 of these benchmarks - notably being the first model to achieve human-expert performance on the well-studied exam benchmark MMLU, and improving the state of the art in every one of the 20 multimodal benchmarks we examined. We believe that the new capabilities of the Gemini family in cross-modal reasoning and language understanding will enable a wide variety of use cases. We discuss our approach toward post-training and deploying Gemini models responsibly to users through services including Gemini, Gemini Advanced, Google AI Studio, and Cloud Vertex AI.

cs.CL↗

arXiv2025

HRScene: How Far Are VLMs from Effective High-Resolution Image Understanding?

High-resolution image (HRI) understanding aims to process images with a large number of pixels, such as pathological images and agricultural aerial images, both of which can exceed 1 million pixels. Vision Large Language Models (VLMs) can allegedly handle HRIs, however, there is a lack of a comprehensive benchmark for VLMs to evaluate HRI understanding. To address this gap, we introduce HRScene, a novel unified benchmark for HRI understanding with rich scenes. HRScene incorporates 25 real-world datasets and 2 synthetic diagnostic datasets with resolutions ranging from 1,024 $\times$ 1,024 to 35,503 $\times$ 26,627. HRScene is collected and re-annotated by 10 graduate-level annotators, covering 25 scenarios, ranging from microscopic to radiology images, street views, long-range pictures, and telescope images. It includes HRIs of real-world objects, scanned documents, and composite multi-image. The two diagnostic evaluation datasets are synthesized by combining the target image with the gold answer and distracting images in different orders, assessing how well models utilize regions in HRI. We conduct extensive experiments involving 28 VLMs, including Gemini 2.0 Flash and GPT-4o. Experiments on HRScene show that current VLMs achieve an average accuracy of around 50% on real-world tasks, revealing significant gaps in HRI understanding. Results on synthetic datasets reveal that VLMs struggle to effectively utilize HRI regions, showing significant Regional Divergence and lost-in-middle, shedding light on future research.

cs.CL↗

arXiv2025

Synthetic Data Generation & Multi-Step RL for Reasoning & Tool Use

Reinforcement learning has been shown to improve the performance of large language models. However, traditional approaches like RLHF or RLAIF treat the problem as single-step. As focus shifts toward more complex reasoning and agentic tasks, language models must take multiple steps of text generation, reasoning and environment interaction before generating a solution. We propose a synthetic data generation and RL methodology targeting multi-step optimization scenarios. This approach, called Step-Wise Reinforcement Learning (SWiRL), iteratively generates multi-step reasoning and tool use data, and then learns from that data. It employs a simple step-wise decomposition that breaks each multi-step trajectory into multiple sub-trajectories corresponding to each action by the original model. It then applies synthetic data filtering and RL optimization on these sub-trajectories. We evaluated SWiRL on a number of multi-step tool use, question answering, and mathematical reasoning tasks. Our experiments show that SWiRL outperforms baseline approaches by 21.5%, 12.3%, 14.8%, 11.1%, and 15.3% in relative accuracy on GSM8K, HotPotQA, CofCA, MuSiQue, and BeerQA, respectively. Excitingly, the approach exhibits generalization across tasks: for example, training only on HotPotQA (text question-answering) improves zero-shot performance on GSM8K (a math dataset) by a relative 16.9%.

cs.AI↗

arXiv2025

Intelligent Attacks and Defense Methods in Federated Learning-enabled Energy-Efficient Wireless Networks

Federated learning (FL) is a promising technique for learning-based functions in wireless networks, thanks to its distributed implementation capability. On the other hand, distributed learning may increase the risk of exposure to malicious attacks where attacks on a local model may spread to other models by parameter exchange. Meanwhile, such attacks can be hard to detect due to the dynamic wireless environment, especially considering local models can be heterogeneous with non-independent and identically distributed (non-IID) data. Therefore, it is critical to evaluate the effect of malicious attacks and develop advanced defense techniques for FL-enabled wireless networks. In this work, we introduce a federated deep reinforcement learning-based cell sleep control scenario that enhances the energy efficiency of the network. We propose multiple intelligent attacks targeting the learning-based approach and we propose defense methods to mitigate such attacks. In particular, we have designed two attack models, generative adversarial network (GAN)-enhanced model poisoning attack and regularization-based model poisoning attack. As a counteraction, we have proposed two defense schemes, autoencoder-based defense, and knowledge distillation (KD)-enabled defense. The autoencoder-based defense method leverages an autoencoder to identify the malicious participants and only aggregate the parameters of benign local models during the global aggregation, while KD-based defense protects the model from attacks by controlling the knowledge transferred between the global model and local models.

cs.LG↗

arXiv2025

Investigating and Scaling up Code-Switching for Multilingual Language Model Pre-Training

Large language models (LLMs) exhibit remarkable multilingual capabilities despite the extreme language imbalance in the pre-training data. In this paper, we closely examine the reasons behind this phenomenon, focusing on the pre-training corpus. We find that the existence of code-switching, alternating between different languages within a context, is key to multilingual capabilities. We conduct an analysis to investigate code-switching in the pre-training corpus, examining its presence and categorizing it into four types within two quadrants. We then assess its impact on multilingual performance. These types of code-switching data are unbalanced in proportions and demonstrate different effects on facilitating language transfer. To better explore the power of code-switching for language alignment during pre-training, we investigate the strategy of synthetic code-switching. We continuously scale up the synthetic code-switching data and observe remarkable improvements in both benchmarks and representation space. Extensive experiments indicate that incorporating synthetic code-switching data enables better language alignment and generalizes well to high, medium, and low-resource languages with pre-training corpora of varying qualities.

cs.CL↗