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Gang Liu

Publications and source records attributed to Gang Liu.

At least 91 records · Page 5Linked to original sources
arXiv2025

Compact Group Homeomorphisms Preserving The Haar Measure

This paper studies the measure-preserving homeomorphisms on compact groups and proposes new methods for constructing measure-preserving homeomorphisms on direct products of compact groups and non-commutative compact groups. On the direct product of compact groups, we construct measure-preserving homeomorphisms using the method of integration. In particular, by applying this method to the \(n\)-dimensional torus \({\mathbb{T}}^{n}\), we can construct many new examples of measure-preserving homeomorphisms. We completely characterize the measure-preserving homeomorphisms on the two-dimensional torus where one coordinate is a translation depending on the other coordinate, and generalize this result to the \(n\)-dimensional torus. For non-commutative compact groups, we generalize the concept of the normalizer subgroup \(N\left( H\right)\) of the subgroup \(H\) to the normalizer subset \({E}_{K}( P)\) from the subset \(K\) to the subset \(P\) of the group of measure-preserving homeomorphisms. We prove that if \(μ\) is the unique \(K\)-invariant measure, then the elements in \({E}_{K}\left( P\right)\) also preserve \(μ\). In some non-commutative compact groups the normalizer subset \({E}_{G}\left( {\mathrm{AF}\left( G\right) }\right)\) can give non-affine homeomorphisms that preserve the Haar measure. Finally, we prove that when \(G\) is a finite cyclic group and a \(n\)-dimensional torus, then \(\mathrm{AF}\left( G\right)= N\left( G\right) = {E}_{G}\left( {\mathrm{AF}\left( G\right) }\right)\).

math.DS↗
arXiv2025

POINT$^{2}$: A Polymer Informatics Training and Testing Database

The advancement of polymer informatics has been significantly propelled by the integration of machine learning (ML) techniques, enabling the rapid prediction of polymer properties and expediting the discovery of high-performance polymeric materials. However, the field lacks a standardized workflow that encompasses prediction accuracy, uncertainty quantification, ML interpretability, and polymer synthesizability. In this study, we introduce POINT$^{2}$ (POlymer INformatics Training and Testing), a comprehensive benchmark database and protocol designed to address these critical challenges. Leveraging the existing labeled datasets and the unlabeled PI1M dataset, a collection of approximately one million virtual polymers generated via a recurrent neural network trained on the realistic polymers, we develop an ensemble of ML models, including Quantile Random Forests, Multilayer Perceptrons with dropout, Graph Neural Networks, and pretrained large language models. These models are coupled with diverse polymer representations such as Morgan, MACCS, RDKit, Topological, Atom Pair fingerprints, and graph-based descriptors to achieve property predictions, uncertainty estimations, model interpretability, and template-based polymerization synthesizability across a spectrum of properties, including gas permeability, thermal conductivity, glass transition temperature, melting temperature, fractional free volume, and density. The POINT$^{2}$ database can serve as a valuable resource for the polymer informatics community for polymer discovery and optimization.

cond-mat.mtrl-sci↗
arXiv2025

FaaSMT: Lightweight Serverless Framework for Intrusion Detection Using Merkle Tree and Task Inlining

The serverless platform aims to facilitate cloud applications' straightforward deployment, scaling, and management. Unfortunately, the distributed nature of serverless computing makes it difficult to port traditional security tools directly. The existing serverless solutions primarily identify potential threats or performance bottlenecks through post-analysis of modified operating system audit logs, detection of encrypted traffic offloading, or the collection of runtime metrics. However, these methods often prove inadequate for comprehensively detecting communication violations across functions. This limitation restricts the real-time log monitoring and validation capabilities in distributed environments while impeding the maintenance of minimal communication overhead. Therefore, this paper presents FaaSMT, which aims to fill this gap by addressing research questions related to security checks and the optimization of performance and costs in serverless applications. This framework employs parallel processing for the collection of distributed data logs, incorporating Merkle Tree algorithms and heuristic optimisation methods to achieve adaptive inline security task execution. The results of experimental trials demonstrate that FaaSMT is capable of effectively identifying major attack types (e.g., Denial of Wallet (DoW) and Business Logic attacks), thereby providing comprehensive monitoring and validation of function executions while significantly reducing performance overhead.

cs.DC↗
arXiv2025

First-principles Investigation of Exceptional Coarsening-resistant V-Sc(Al2Cu)4 Nanoprecipitates in Al-Cu-Mg-Ag-Sc Alloys

Aluminum-copper-magnesium-sliver (Al-Cu-Mg-Ag) alloys are extensively utilized in aerospace industries due to the formation of Omega nano-plates.However, the rapid coarsening of these nano-plates above 475 K restricts their application at elevated temperatures.When introducing scandium (Sc) to these alloys, the service temperature of the resultant alloys can reach an unprecedented 675 K, attributed to the in situ formation of a coarsening-resistant V-Sc(Al2Cu)4 phase within the Omega nano-plates. However, the fundamental thermodynamic properties and mechanisms behind the remarkable coarsening resistance of V nano-plates remain unexplored.Here, we employ first-principles calculations to investigate the phase stability of V-Sc(Al2Cu)4 phase, the basic kinetic features of V phase formation within Omega nano-plates, and the origins of the extremely high thermal stability of V nano-plates. Our results indicate that V-Sc(Al2Cu)4 is meta-stable and thermodynamically tends to evolve into a stable ScAl7Cu5 phase. We also demonstrate that kinetic factors are mainly responsible for the temperature dependence of V phase formation. Notably, the formation of V-Sc(Al2Cu)4 within Omega nano-plates modifies the Kagome lattice in the shell layer of the Omega nano-plates, inhibiting further thickening of V nano-plates through the thickening pathway of Omega nano-plates. This interface transition leads to the exceptional coarsening resistance of the V nano-plates. Moreover, we also screened 14 promising element substitutions for Sc. These findings are anticipated to accelerate the development of high-performance Al alloys with superior heat resistance.

cond-mat.mtrl-sci↗
arXiv2025

IMM-MOT: A Novel 3D Multi-object Tracking Framework with Interacting Multiple Model Filter

3D Multi-Object Tracking (MOT) provides the trajectories of surrounding objects, assisting robots or vehicles in smarter path planning and obstacle avoidance. Existing 3D MOT methods based on the Tracking-by-Detection framework typically use a single motion model to track an object throughout its entire tracking process. However, objects may change their motion patterns due to variations in the surrounding environment. In this paper, we introduce the Interacting Multiple Model filter in IMM-MOT, which accurately fits the complex motion patterns of individual objects, overcoming the limitation of single-model tracking in existing approaches. In addition, we incorporate a Damping Window mechanism into the trajectory lifecycle management, leveraging the continuous association status of trajectories to control their creation and termination, reducing the occurrence of overlooked low-confidence true targets. Furthermore, we propose the Distance-Based Score Enhancement module, which enhances the differentiation between false positives and true positives by adjusting detection scores, thereby improving the effectiveness of the Score Filter. On the NuScenes Val dataset, IMM-MOT outperforms most other single-modal models using 3D point clouds, achieving an AMOTA of 73.8%. Our project is available at https://github.com/Ap01lo/IMM-MOT.

cs.CV↗
arXiv2025

Motif-aware Attribute Masking for Molecular Graph Pre-training

Attribute reconstruction is used to predict node or edge features in the pre-training of graph neural networks. Given a large number of molecules, they learn to capture structural knowledge, which is transferable for various downstream property prediction tasks and vital in chemistry, biomedicine, and material science. Previous strategies that randomly select nodes to do attribute masking leverage the information of local neighbors However, the over-reliance of these neighbors inhibits the model's ability to learn from higher-level substructures. For example, the model would learn little from predicting three carbon atoms in a benzene ring based on the other three but could learn more from the inter-connections between the functional groups, or called chemical motifs. In this work, we propose and investigate motif-aware attribute masking strategies to capture inter-motif structures by leveraging the information of atoms in neighboring motifs. Once each graph is decomposed into disjoint motifs, the features for every node within a sample motif are masked. The graph decoder then predicts the masked features of each node within the motif for reconstruction. We evaluate our approach on eight molecular property prediction datasets and demonstrate its advantages.

cs.LG↗
arXiv2025

PeFoMed: Parameter Efficient Fine-tuning of Multimodal Large Language Models for Medical Imaging

Multimodal large language models (MLLMs) represent an evolutionary expansion in the capabilities of traditional large language models, enabling them to tackle challenges that surpass the scope of purely text-based applications. It leverages the knowledge previously encoded within these language models, thereby enhancing their applicability and functionality in the reign of multimodal contexts. Recent works investigate the adaptation of MLLMs as a universal solution to address medical multi-modal problems as a generative task. In this paper, we propose a parameter efficient framework for fine-tuning MLLMs, specifically validated on medical visual question answering (Med-VQA) and medical report generation (MRG) tasks, using public benchmark datasets. We also introduce an evaluation metric using the 5-point Likert scale and its weighted average value to measure the quality of the generated reports for MRG tasks, where the scale ratings are labelled by both humans manually and the GPT-4 model. We further assess the consistency of performance metrics across traditional measures, GPT-4, and human ratings for both VQA and MRG tasks. The results indicate that semantic similarity assessments using GPT-4 align closely with human annotators and provide greater stability, yet they reveal a discrepancy when compared to conventional lexical similarity measurements. This questions the reliability of lexical similarity metrics for evaluating the performance of generative models in Med-VQA and report generation tasks. Besides, our fine-tuned model significantly outperforms GPT-4v. This indicates that without additional fine-tuning, multi-modal models like GPT-4v do not perform effectively on medical imaging tasks. The code will be available here: https://github.com/jinlHe/PeFoMed.

cs.CL↗
arXiv2025

Molecular HDD Logic for Encrypted Massive Data Storage

Organic memories, with small dimension, fast speed and long retention features, are considered as promising candidates for massive data archiving. In order to satisfy the re-quirements for ultra-low power and high-security information storage, we design a concep-tual molecular hard-disk (HDD) logic scheme that is capable to execute in-situ encryption of massive data in pW/bit power-consumption range. Beneficial from the coupled mechanism of counter-balanced redox reaction and local ion drifting, the basic HDD unit consisting of ~ 200 self-assembled RuXLPH molecules in a monolayer (SAM) configuration undergoes unique conductance modulation with continuous, symmetric and low-power switching char-acteristics. 96-state memory performance, which allows 6-bit data storage and single-unit one-step XOR operation, is realized in the RuXLPH SAM sample. Through single-unit XOR manipulation of the pixel information, in-situ bitwise encryption of the Mogao Grottoes mural images stored in the molecular HDD is demonstrated.

cs.ET↗
arXiv2025

An Optimal Algorithm for Half-plane Hitting Set

Given a set $ P $ of $n$ points and a set $ H $ of $n$ half-planes in the plane, we consider the problem of computing a smallest subset of points such that each half-plane contains at least one point of the subset. The previously best algorithm solves the problem in $O(n^3 \log n)$ time. It is also known that $Ω(n \log n)$ is a lower bound for the problem under the algebraic decision tree model. In this paper, we present an $O(n \log n)$ time algorithm, which matches the lower bound and thus is optimal. Another virtue of the algorithm is that it is relatively simple.

cs.CG↗
arXiv2024

Large Language Models on Graphs: A Comprehensive Survey

Large language models (LLMs), such as GPT4 and LLaMA, are creating significant advancements in natural language processing, due to their strong text encoding/decoding ability and newly found emergent capability (e.g., reasoning). While LLMs are mainly designed to process pure texts, there are many real-world scenarios where text data is associated with rich structure information in the form of graphs (e.g., academic networks, and e-commerce networks) or scenarios where graph data is paired with rich textual information (e.g., molecules with descriptions). Besides, although LLMs have shown their pure text-based reasoning ability, it is underexplored whether such ability can be generalized to graphs (i.e., graph-based reasoning). In this paper, we provide a systematic review of scenarios and techniques related to large language models on graphs. We first summarize potential scenarios of adopting LLMs on graphs into three categories, namely pure graphs, text-attributed graphs, and text-paired graphs. We then discuss detailed techniques for utilizing LLMs on graphs, including LLM as Predictor, LLM as Encoder, and LLM as Aligner, and compare the advantages and disadvantages of different schools of models. Furthermore, we discuss the real-world applications of such methods and summarize open-source codes and benchmark datasets. Finally, we conclude with potential future research directions in this fast-growing field. The related source can be found at https://github.com/PeterGriffinJin/Awesome-Language-Model-on-Graphs.

cs.CL↗
arXiv2024

Parameter-Efficient Fine-Tuning Medical Multimodal Large Language Models for Medical Visual Grounding

Multimodal Large Language Models (MLLMs) inherit the superior text understanding capabilities of LLMs and extend these capabilities to multimodal scenarios. These models achieve excellent results in the general domain of multimodal tasks. However, in the medical domain, the substantial training costs and the requirement for extensive medical data pose challenges to the development of medical MLLMs. Furthermore, due to the free-text form of answers, tasks such as visual grounding that need to produce output in a prescribed form become difficult for MLLMs. So far, there have been no medical MLLMs works in medical visual grounding area. For the medical vision grounding task, which involves identifying locations in medical images based on short text descriptions, we propose Parameter-efficient Fine-tuning medical multimodal large language models for Medcial Visual Grounding (PFMVG). To validate the performance of the model, we evaluate it on a public benchmark dataset for medical visual grounding, where it achieves competitive results, and significantly outperforming GPT-4v. Our code will be open sourced after peer review.

cs.CV↗
arXiv2024

Chip-Tuning: Classify Before Language Models Say

The rapid development in the performance of large language models (LLMs) is accompanied by the escalation of model size, leading to the increasing cost of model training and inference. Previous research has discovered that certain layers in LLMs exhibit redundancy, and removing these layers brings only marginal loss in model performance. In this paper, we adopt the probing technique to explain the layer redundancy in LLMs and demonstrate that language models can be effectively pruned with probing classifiers. We propose chip-tuning, a simple and effective structured pruning framework specialized for classification problems. Chip-tuning attaches tiny probing classifiers named chips to different layers of LLMs, and trains chips with the backbone model frozen. After selecting a chip for classification, all layers subsequent to the attached layer could be removed with marginal performance loss. Experimental results on various LLMs and datasets demonstrate that chip-tuning significantly outperforms previous state-of-the-art baselines in both accuracy and pruning ratio, achieving a pruning ratio of up to 50%. We also find that chip-tuning could be applied on multimodal models, and could be combined with model finetuning, proving its excellent compatibility.

cs.CL↗
arXiv2024

Multimodal Large Language Models for Inverse Molecular Design with Retrosynthetic Planning

While large language models (LLMs) have integrated images, adapting them to graphs remains challenging, limiting their applications in materials and drug design. This difficulty stems from the need for coherent autoregressive generation across texts and graphs. To address this, we introduce Llamole, the first multimodal LLM capable of interleaved text and graph generation, enabling molecular inverse design with retrosynthetic planning. Llamole integrates a base LLM with the Graph Diffusion Transformer and Graph Neural Networks for multi-conditional molecular generation and reaction inference within texts, while the LLM, with enhanced molecular understanding, flexibly controls activation among the different graph modules. Additionally, Llamole integrates A* search with LLM-based cost functions for efficient retrosynthetic planning. We create benchmarking datasets and conduct extensive experiments to evaluate Llamole against in-context learning and supervised fine-tuning. Llamole significantly outperforms 14 adapted LLMs across 12 metrics for controllable molecular design and retrosynthetic planning.

cs.LG↗
arXiv2024

Graph Diffusion Transformers for Multi-Conditional Molecular Generation

Inverse molecular design with diffusion models holds great potential for advancements in material and drug discovery. Despite success in unconditional molecular generation, integrating multiple properties such as synthetic score and gas permeability as condition constraints into diffusion models remains unexplored. We present the Graph Diffusion Transformer (Graph DiT) for multi-conditional molecular generation. Graph DiT integrates an encoder to learn numerical and categorical property representations with the Transformer-based denoiser. Unlike previous graph diffusion models that add noise separately on the atoms and bonds in the forward diffusion process, Graph DiT is trained with a novel graph-dependent noise model for accurate estimation of graph-related noise in molecules. We extensively validate Graph DiT for multi-conditional polymer and small molecule generation. Results demonstrate the superiority of Graph DiT across nine metrics from distribution learning to condition control for molecular properties. A polymer inverse design task for gas separation with feedback from domain experts further demonstrates its practical utility.

cs.LG↗
arXiv2024

Learning Molecular Representation in a Cell

Predicting drug efficacy and safety in vivo requires information on biological responses (e.g., cell morphology and gene expression) to small molecule perturbations. However, current molecular representation learning methods do not provide a comprehensive view of cell states under these perturbations and struggle to remove noise, hindering model generalization. We introduce the Information Alignment (InfoAlign) approach to learn molecular representations through the information bottleneck method in cells. We integrate molecules and cellular response data as nodes into a context graph, connecting them with weighted edges based on chemical, biological, and computational criteria. For each molecule in a training batch, InfoAlign optimizes the encoder's latent representation with a minimality objective to discard redundant structural information. A sufficiency objective decodes the representation to align with different feature spaces from the molecule's neighborhood in the context graph. We demonstrate that the proposed sufficiency objective for alignment is tighter than existing encoder-based contrastive methods. Empirically, we validate representations from InfoAlign in two downstream applications: molecular property prediction against up to 27 baseline methods across four datasets, plus zero-shot molecule-morphology matching.

cs.LG↗
arXiv2024

GRAPH -- An readout ASIC for large MCP based detectors

We present a programmable 16 channel, mixed signal, low power readout ASIC, having the project historically named Gigasample Recorder of Analog waveforms from a PHotodetector (GRAPH). It is designed to read large aperture single photon imaging detectors using micro channel plates for charge multiplication, and measuring the detector's response on crossed strips anodes to extrapolate the incoming photon position. Each channel consists of a fast, low power and low noise charge sensitive amplifier, which provides a myriad of coarse and fine programmable options for gain and shaping settings. Further, the amplified signal is recorded using, to our knowledge novel, the Hybrid Universal sampLing Architecture (HULA), a mixed signal double buffer memory, that enables concurrent waveform recording, and selected event digitized data extraction. The sampling frequency is freely adjustable between few~kHz up to 125~MHz, while the chip's internal digital memory holds a history 2048 samples for each channel, with a digital headroom of 12 bits. An optimized region of interest sample-read algorithm allows to extract the information just around the event pulse peak, while selecting the next event, thus substantially reducing the operational dead time. The chip is designed in 130~$n$m TSMC CMOS technology, and its power consumption is around 47~$m$W per channel.

physics.ins-det↗
arXiv2024

CTC and CT5TEA: an advanced multi-channel digitizer and trigger ASIC for imaging atmospheric Cherenkov telescopes

We have developed a new set of Application-Specific Integrated Circuits (ASICs) of the TARGET family (CTC and CT5TEA), designed for the readout of signals from photosensors in cameras of Imaging Atmospheric Cherenkov Telescopes (IACTs) for ground-based gamma-ray astronomy. We present the performance and design details. Both ASICs feature 16 channels, with CTC being a Switched-Capacitor Array (SCA) sampler at 0.5 to 1 GSa/s with a 16,384 sample deep storage buffer, including the functionality to digitize full waveforms at arbitrary times. CT5TEA is its companion trigger ASIC (though may be used on its own), which provides trigger information for the analog sum of four (and 16) adjacent channels. Since sampling and triggering takes place in two separate ASICs, the noise due to interference from the SCA is suppressed, and allows a minimal trigger threshold of $\leq$ 2.5 mV (0.74 photo electrons (p.e.)) with a trigger noise of $\leq$ 0.5 mV (0.15 p.e.). For CTC, a maximal input voltage range from $-$0.5 V up to 1.7 V is achieved with an effective bit range of $>$ 11.6 bits and a baseline noise of 0.7 mV. The cross-talk improved to $\leq$ 1% over the whole $-$3 dB bandwidth of 220 MHz and even down to 0.2% for 1.5 V pulses of 10 ns width. Not only is the performance presented, but a temperature-stable calibration routine for pulse mode operation is introduced and validated. The resolution is found to be $\sim$ 2.5% at 33.7 mV (10 p.e.) and $\leq$ 0.3% at 337 mV (100 p.e.) with an integrated non-linearity of $<$ 1.6 mV. Developed for the Small-Sized Telescope (SST) and Schwarzschild-Couder Telescope (SCT) cameras of the Cherenkov Telescope Array Observatory (CTAO), CTC and CT5TEA are deployed for both prototypes and shall be integrated into the final versions.

astro-ph.IM↗