arXiv subjects

Dan Zhao

Publications and source records attributed to Dan Zhao.

At least 55 records · Page 3Linked to original sources

arXiv2025

Synthetic User Behavior Sequence Generation with Large Language Models for Smart Homes

In recent years, as smart home systems have become more widespread, security concerns within these environments have become a growing threat. Currently, most smart home security solutions, such as anomaly detection and behavior prediction models, are trained using fixed datasets that are precollected. However, the process of dataset collection is time-consuming and lacks the flexibility needed to adapt to the constantly evolving smart home environment. Additionally, the collection of personal data raises significant privacy concerns for users. Lately, large language models (LLMs) have emerged as a powerful tool for a wide range of tasks across diverse application domains, thanks to their strong capabilities in natural language processing, reasoning, and problem-solving. In this paper, we propose an LLM-based synthetic dataset generation IoTGen framework to enhance the generalization of downstream smart home intelligent models. By generating new synthetic datasets that reflect changes in the environment, smart home intelligent models can be retrained to overcome the limitations of fixed and outdated data, allowing them to better align with the dynamic nature of real-world home environments. Specifically, we first propose a Structure Pattern Perception Compression (SPPC) method tailored for IoT behavior data, which preserves the most informative content in the data while significantly reducing token consumption. Then, we propose a systematic approach to create prompts and implement data generation to automatically generate IoT synthetic data with normative and reasonable properties, assisting task models in adaptive training to improve generalization and real-world performance.

cs.AI↗

arXiv2025

Modeling Concentration Profiles in Electrolytes by Solving 3-D Poisson-Nernst-Planck Equations via Finite Difference Method

The Poisson-Nernst-Planck (PNP) equations are fundamental for modeling ion transport in electrochemical systems, capturing the intricate interplay of concentration gradients, electric fields, and ion fluxes essential for applications such as energy storage devices and other electrochemical devices. This study introduces a refined numerical framework employing the finite difference method to solve the 3-D PNP equations, enabling precise simulation of ion concentration distributions under realistic boundary conditions and applied electric fields. By rigorously addressing stability criteria and integrating advanced boundary constraints, including the Butler-Volmer equation for surface reactions, the model provides comprehensive insights into ion dynamics, particularly near electrode surfaces where electric field and reaction effects dominate. This framework significantly enhances traditional PNP modeling by accommodating varied boundary conditions, diffusion anisotropy, and complex electrochemical environments, offering a robust tool for investigating electrochemical processes and guiding the design of advanced electrochemical systems.

physics.chem-ph↗

arXiv2025

Restore-RWKV: Efficient and Effective Medical Image Restoration with RWKV

Transformers have revolutionized medical image restoration, but the quadratic complexity still poses limitations for their application to high-resolution medical images. The recent advent of the Receptance Weighted Key Value (RWKV) model in the natural language processing field has attracted much attention due to its ability to process long sequences efficiently. To leverage its advanced design, we propose Restore-RWKV, the first RWKV-based model for medical image restoration. Since the original RWKV model is designed for 1D sequences, we make two necessary modifications for modeling spatial relations in 2D medical images. First, we present a recurrent WKV (Re-WKV) attention mechanism that captures global dependencies with linear computational complexity. Re-WKV incorporates bidirectional attention as basic for a global receptive field and recurrent attention to effectively model 2D dependencies from various scan directions. Second, we develop an omnidirectional token shift (Omni-Shift) layer that enhances local dependencies by shifting tokens from all directions and across a wide context range. These adaptations make the proposed Restore-RWKV an efficient and effective model for medical image restoration. Even a lightweight variant of Restore-RWKV, with only 1.16 million parameters, achieves comparable or even superior results compared to existing state-of-the-art (SOTA) methods. Extensive experiments demonstrate that the resulting Restore-RWKV achieves SOTA performance across a range of medical image restoration tasks, including PET image synthesis, CT image denoising, MRI image super-resolution, and all-in-one medical image restoration. Code is available at: https://github.com/Yaziwel/Restore-RWKV.

eess.IV↗

arXiv2024

Retentive Neural Quantum States: Efficient Ansätze for Ab Initio Quantum Chemistry

Neural-network quantum states (NQS) has emerged as a powerful application of quantum-inspired deep learning for variational Monte Carlo methods, offering a competitive alternative to existing techniques for identifying ground states of quantum problems. A significant advancement toward improving the practical scalability of NQS has been the incorporation of autoregressive models, most recently transformers, as variational ansatze. Transformers learn sequence information with greater expressiveness than recurrent models, but at the cost of increased time complexity with respect to sequence length. We explore the use of the retentive network (RetNet), a recurrent alternative to transformers, as an ansatz for solving electronic ground state problems in $\textit{ab initio}$ quantum chemistry. Unlike transformers, RetNets overcome this time complexity bottleneck by processing data in parallel during training, and recurrently during inference. We give a simple computational cost estimate of the RetNet and directly compare it with similar estimates for transformers, establishing a clear threshold ratio of problem-to-model size past which the RetNet's time complexity outperforms that of the transformer. Though this efficiency can comes at the expense of decreased expressiveness relative to the transformer, we overcome this gap through training strategies that leverage the autoregressive structure of the model -- namely, variational neural annealing. Our findings support the RetNet as a means of improving the time complexity of NQS without sacrificing accuracy. We provide further evidence that the ablative improvements of neural annealing extend beyond the RetNet architecture, suggesting it would serve as an effective general training strategy for autoregressive NQS.

cs.LG↗

arXiv2024

A Simulation System Towards Solving Societal-Scale Manipulation

The rise of AI-driven manipulation poses significant risks to societal trust and democratic processes. Yet, studying these effects in real-world settings at scale is ethically and logistically impractical, highlighting a need for simulation tools that can model these dynamics in controlled settings to enable experimentation with possible defenses. We present a simulation environment designed to address this. We elaborate upon the Concordia framework that simulates offline, `real life' activity by adding online interactions to the simulation through social media with the integration of a Mastodon server. We improve simulation efficiency and information flow, and add a set of measurement tools, particularly longitudinal surveys. We demonstrate the simulator with a tailored example in which we track agents' political positions and show how partisan manipulation of agents can affect election results.

cs.SI↗

arXiv2024

Windows Agent Arena: Evaluating Multi-Modal OS Agents at Scale

Large language models (LLMs) show remarkable potential to act as computer agents, enhancing human productivity and software accessibility in multi-modal tasks that require planning and reasoning. However, measuring agent performance in realistic environments remains a challenge since: (i) most benchmarks are limited to specific modalities or domains (e.g. text-only, web navigation, Q&A, coding) and (ii) full benchmark evaluations are slow (on order of magnitude of days) given the multi-step sequential nature of tasks. To address these challenges, we introduce the Windows Agent Arena: a reproducible, general environment focusing exclusively on the Windows operating system (OS) where agents can operate freely within a real Windows OS and use the same wide range of applications, tools, and web browsers available to human users when solving tasks. We adapt the OSWorld framework (Xie et al., 2024) to create 150+ diverse Windows tasks across representative domains that require agent abilities in planning, screen understanding, and tool usage. Our benchmark is scalable and can be seamlessly parallelized in Azure for a full benchmark evaluation in as little as 20 minutes. To demonstrate Windows Agent Arena's capabilities, we also introduce a new multi-modal agent, Navi. Our agent achieves a success rate of 19.5% in the Windows domain, compared to 74.5% performance of an unassisted human. Navi also demonstrates strong performance on another popular web-based benchmark, Mind2Web. We offer extensive quantitative and qualitative analysis of Navi's performance, and provide insights into the opportunities for future research in agent development and data generation using Windows Agent Arena. Webpage: https://microsoft.github.io/WindowsAgentArena Code: https://github.com/microsoft/WindowsAgentArena

cs.AI↗

arXiv2024

From Static to Dynamic Structures: Improving Binding Affinity Prediction with Graph-Based Deep Learning

Accurate prediction of protein-ligand binding affinities is an essential challenge in structure-based drug design. Despite recent advances in data-driven methods for affinity prediction, their accuracy is still limited, partially because they only take advantage of static crystal structures while the actual binding affinities are generally determined by the thermodynamic ensembles between proteins and ligands. One effective way to approximate such a thermodynamic ensemble is to use molecular dynamics (MD) simulation. Here, an MD dataset containing 3,218 different protein-ligand complexes is curated, and Dynaformer, a graph-based deep learning model is further developed to predict the binding affinities by learning the geometric characteristics of the protein-ligand interactions from the MD trajectories. In silico experiments demonstrated that the model exhibits state-of-the-art scoring and ranking power on the CASF-2016 benchmark dataset, outperforming the methods hitherto reported. Moreover, in a virtual screening on heat shock protein 90 (HSP90) using Dynaformer, 20 candidates are identified and their binding affinities are further experimentally validated. Dynaformer displayed promising results in virtual drug screening, revealing 12 hit compounds (two are in the submicromolar range), including several novel scaffolds. Overall, these results demonstrated that the approach offer a promising avenue for accelerating the early drug discovery process.

q-bio.BM↗

arXiv2024

Region Attention Transformer for Medical Image Restoration

Transformer-based methods have demonstrated impressive results in medical image restoration, attributed to the multi-head self-attention (MSA) mechanism in the spatial dimension. However, the majority of existing Transformers conduct attention within fixed and coarsely partitioned regions (\text{e.g.} the entire image or fixed patches), resulting in interference from irrelevant regions and fragmentation of continuous image content. To overcome these challenges, we introduce a novel Region Attention Transformer (RAT) that utilizes a region-based multi-head self-attention mechanism (R-MSA). The R-MSA dynamically partitions the input image into non-overlapping semantic regions using the robust Segment Anything Model (SAM) and then performs self-attention within these regions. This region partitioning is more flexible and interpretable, ensuring that only pixels from similar semantic regions complement each other, thereby eliminating interference from irrelevant regions. Moreover, we introduce a focal region loss to guide our model to adaptively focus on recovering high-difficulty regions. Extensive experiments demonstrate the effectiveness of RAT in various medical image restoration tasks, including PET image synthesis, CT image denoising, and pathological image super-resolution. Code is available at \href{https://github.com/Yaziwel/Region-Attention-Transformer-for-Medical-Image-Restoration.git}{https://github.com/RAT}.

eess.IV↗

arXiv2024

ISPO: An Integrated Ontology of Symptom Phenotypes for Semantic Integration of Traditional Chinese Medical Data

Symptom phenotypes are one of the key types of manifestations for diagnosis and treatment of various disease conditions. However, the diversity of symptom terminologies is one of the major obstacles hindering the analysis and knowledge sharing of various types of symptom-related medical data particularly in the fields of Traditional Chinese Medicine (TCM). Objective: This study aimed to construct an Integrated Ontology of symptom phenotypes (ISPO) to support the data mining of Chinese EMRs and real-world study in TCM field. Methods: To construct an integrated ontology of symptom phenotypes (ISPO), we manually annotated classical TCM textbooks and large-scale Chinese electronic medical records (EMRs) to collect symptom terms with support from a medical text annotation system. Furthermore, to facilitate the semantic interoperability between different terminologies, we incorporated public available biomedical vocabularies by manual mapping between Chinese terms and English terms with cross-references to source vocabularies. In addition, we evaluated the ISPO using independent clinical EMRs to provide a high-usable medical ontology for clinical data analysis. Results: By integrating 78,696 inpatient cases of EMRs, 5 biomedical vocabularies, 21 TCM books and dictionaries, ISPO provides 3,147 concepts, 23,475 terms, and 55,552 definition or contextual texts. Adhering to the taxonomical structure of the related anatomical systems of symptom phenotypes, ISPO provides 12 top-level categories and 79 middle-level sub-categories. The validation of data analysis showed the ISPO has a coverage rate of 95.35%, 98.53% and 92.66% for symptom terms with occurrence rates of 0.5% in additional three independent curated clinical datasets, which can demonstrate the significant value of ISPO in mapping clinical terms to ontologies.

cs.CL↗

arXiv2024

All-In-One Medical Image Restoration via Task-Adaptive Routing

Although single-task medical image restoration (MedIR) has witnessed remarkable success, the limited generalizability of these methods poses a substantial obstacle to wider application. In this paper, we focus on the task of all-in-one medical image restoration, aiming to address multiple distinct MedIR tasks with a single universal model. Nonetheless, due to significant differences between different MedIR tasks, training a universal model often encounters task interference issues, where different tasks with shared parameters may conflict with each other in the gradient update direction. This task interference leads to deviation of the model update direction from the optimal path, thereby affecting the model's performance. To tackle this issue, we propose a task-adaptive routing strategy, allowing conflicting tasks to select different network paths in spatial and channel dimensions, thereby mitigating task interference. Experimental results demonstrate that our proposed \textbf{A}ll-in-one \textbf{M}edical \textbf{I}mage \textbf{R}estoration (\textbf{AMIR}) network achieves state-of-the-art performance in three MedIR tasks: MRI super-resolution, CT denoising, and PET synthesis, both in single-task and all-in-one settings. The code and data will be available at \href{https://github.com/Yaziwel/All-In-One-Medical-Image-Restoration-via-Task-Adaptive-Routing.git}{https://github.com/Yaziwel/AMIR}.

cs.CV↗

arXiv2024

Make Your Home Safe: Time-aware Unsupervised User Behavior Anomaly Detection in Smart Homes via Loss-guided Mask

Smart homes, powered by the Internet of Things, offer great convenience but also pose security concerns due to abnormal behaviors, such as improper operations of users and potential attacks from malicious attackers. Several behavior modeling methods have been proposed to identify abnormal behaviors and mitigate potential risks. However, their performance often falls short because they do not effectively learn less frequent behaviors, consider temporal context, or account for the impact of noise in human behaviors. In this paper, we propose SmartGuard, an autoencoder-based unsupervised user behavior anomaly detection framework. First, we design a Loss-guided Dynamic Mask Strategy (LDMS) to encourage the model to learn less frequent behaviors, which are often overlooked during learning. Second, we propose a Three-level Time-aware Position Embedding (TTPE) to incorporate temporal information into positional embedding to detect temporal context anomaly. Third, we propose a Noise-aware Weighted Reconstruction Loss (NWRL) that assigns different weights for routine behaviors and noise behaviors to mitigate the interference of noise behaviors during inference. Comprehensive experiments on three datasets with ten types of anomaly behaviors demonstrates that SmartGuard consistently outperforms state-of-the-art baselines and also offers highly interpretable results.

cs.CR↗

arXiv2024

DeviceRadar: Online IoT Device Fingerprinting in ISPs using Programmable Switches

Device fingerprinting can be used by Internet Service Providers (ISPs) to identify vulnerable IoT devices for early prevention of threats. However, due to the wide deployment of middleboxes in ISP networks, some important data, e.g., 5-tuples and flow statistics, are often obscured, rendering many existing approaches invalid. It is further challenged by the high-speed traffic of hundreds of terabytes per day in ISP networks. This paper proposes DeviceRadar, an online IoT device fingerprinting framework that achieves accurate, real-time processing in ISPs using programmable switches. We innovatively exploit "key packets" as a basis of fingerprints only using packet sizes and directions, which appear periodically while exhibiting differences across different IoT devices. To utilize them, we propose a packet size embedding model to discover the spatial relationships between packets. Meanwhile, we design an algorithm to extract the "key packets" of each device, and propose an approach that jointly considers the spatial relationships and the key packets to produce a neighboring key packet distribution, which can serve as a feature vector for machine learning models for inference. Last, we design a model transformation method and a feature extraction process to deploy the model on a programmable data plane within its constrained arithmetic operations and memory to achieve line-speed processing. Our experiments show that DeviceRadar can achieve state-of-the-art accuracy across 77 IoT devices with 40 Gbps throughput, and requires only 1.3% of the processing time compared to GPU-accelerated approaches.

cs.NI↗

arXiv2024

Genos: General In-Network Unsupervised Intrusion Detection by Rule Extraction

Anomaly-based network intrusion detection systems (A-NIDS) use unsupervised models to detect unforeseen attacks. However, existing A-NIDS solutions suffer from low throughput, lack of interpretability, and high maintenance costs. Recent in-network intelligence (INI) exploits programmable switches to offer line-rate deployment of NIDS. Nevertheless, current in-network NIDS are either model-specific or only apply to supervised models. In this paper, we propose Genos, a general in-network framework for unsupervised A-NIDS by rule extraction, which consists of a Model Compiler, a Model Interpreter, and a Model Debugger. Specifically, observing benign data are multimodal and usually located in multiple subspaces in the feature space, we utilize a divide-and-conquer approach for model-agnostic rule extraction. In the Model Compiler, we first propose a tree-based clustering algorithm to partition the feature space into subspaces, then design a decision boundary estimation mechanism to approximate the source model in each subspace. The Model Interpreter interprets predictions by important attributes to aid network operators in understanding the predictions. The Model Debugger conducts incremental updating to rectify errors by only fine-tuning rules on affected subspaces, thus reducing maintenance costs. We implement a prototype using physical hardware, and experiments demonstrate its superior performance of 100 Gbps throughput, great interpretability, and trivial updating overhead.

cs.CR↗

arXiv2024

Improvements & Evaluations on the MLCommons CloudMask Benchmark

In this paper, we report the performance benchmarking results of deep learning models on MLCommons' Science cloud-masking benchmark using a high-performance computing cluster at New York University (NYU): NYU Greene. MLCommons is a consortium that develops and maintains several scientific benchmarks that can benefit from developments in AI. We provide a description of the cloud-masking benchmark task, updated code, and the best model for this benchmark when using our selected hyperparameter settings. Our benchmarking results include the highest accuracy achieved on the NYU system as well as the average time taken for both training and inference on the benchmark across several runs/seeds. Our code can be found on GitHub. MLCommons team has been kept informed about our progress and may use the developed code for their future work.

cs.DC↗

arXiv2024

Sustainable Supercomputing for AI: GPU Power Capping at HPC Scale

As research and deployment of AI grows, the computational burden to support and sustain its progress inevitably does too. To train or fine-tune state-of-the-art models in NLP, computer vision, etc., some form of AI hardware acceleration is virtually a requirement. Recent large language models require considerable resources to train and deploy, resulting in significant energy usage, potential carbon emissions, and massive demand for GPUs and other hardware accelerators. However, this surge carries large implications for energy sustainability at the HPC/datacenter level. In this paper, we study the aggregate effect of power-capping GPUs on GPU temperature and power draw at a research supercomputing center. With the right amount of power-capping, we show significant decreases in both temperature and power draw, reducing power consumption and potentially improving hardware life-span with minimal impact on job performance. While power-capping reduces power draw by design, the aggregate system-wide effect on overall energy consumption is less clear; for instance, if users notice job performance degradation from GPU power-caps, they may request additional GPU-jobs to compensate, negating any energy savings or even worsening energy consumption. To our knowledge, our work is the first to conduct and make available a detailed analysis of the effects of GPU power-capping at the supercomputing scale. We hope our work will inspire HPCs/datacenters to further explore, evaluate, and communicate the impact of power-capping AI hardware accelerators for more sustainable AI.

cs.AR↗

arXiv2024

Quantized Side Tuning: Fast and Memory-Efficient Tuning of Quantized Large Language Models

Finetuning large language models (LLMs) has been empirically effective on a variety of downstream tasks. Existing approaches to finetuning an LLM either focus on parameter-efficient finetuning, which only updates a small number of trainable parameters, or attempt to reduce the memory footprint during the training phase of the finetuning. Typically, the memory footprint during finetuning stems from three contributors: model weights, optimizer states, and intermediate activations. However, existing works still require considerable memory and none can simultaneously mitigate memory footprint for all three sources. In this paper, we present Quantized Side Tuing (QST), which enables memory-efficient and fast finetuning of LLMs by operating through a dual-stage process. First, QST quantizes an LLM's model weights into 4-bit to reduce the memory footprint of the LLM's original weights; QST also introduces a side network separated from the LLM, which utilizes the hidden states of the LLM to make task-specific predictions. Using a separate side network avoids performing backpropagation through the LLM, thus reducing the memory requirement of the intermediate activations. Furthermore, QST leverages several low-rank adaptors and gradient-free downsample modules to significantly reduce the trainable parameters, so as to save the memory footprint of the optimizer states. Experiments show that QST can reduce the total memory footprint by up to 2.3 $\times$ and speed up the finetuning process by up to 3 $\times$ while achieving competent performance compared with the state-of-the-art. When it comes to full finetuning, QST can reduce the total memory footprint up to 7 $\times$.

cs.LG↗

arXiv2024

Entangling Machine Learning with Quantum Tensor Networks

This paper examines the use of tensor networks, which can efficiently represent high-dimensional quantum states, in language modeling. It is a distillation and continuation of the work done in (van der Poel, 2023). To do so, we will abstract the problem down to modeling Motzkin spin chains, which exhibit long-range correlations reminiscent of those found in language. The Matrix Product State (MPS), also known as the tensor train, has a bond dimension which scales as the length of the sequence it models. To combat this, we use the factored core MPS, whose bond dimension scales sub-linearly. We find that the tensor models reach near perfect classifying ability, and maintain a stable level of performance as the number of valid training examples is decreased.

cs.LG↗

arXiv2024

Modeling multi-legged robot locomotion with slipping and its experimental validation

Multi-legged robots with six or more legs are not in common use, despite designs with superior stability, maneuverability, and a low number of actuators being available for over 20 years. This may be in part due to the difficulty in modeling multi-legged motion with slipping and producing reliable predictions of body velocity. Here we present a detailed measurement of the foot contact forces in a hexapedal robot with multiple sliding contacts, and provide an algorithm for predicting these contact forces and the body velocity. The algorithm relies on the recently published observation that even while slipping, multi-legged robots are principally kinematic, and employ a friction law ansatz that allows us to compute the shape-change to body-velocity connection and the foot contact forces. This results in the ability to simulate motion plans for a large number of potentially slipping legs. In homogeneous environments, this can run in (parallel) logarithmic time of the planning horizon

cs.RO↗