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Liang Du

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Published work

16 published item(s)

preprint2026arXiv

Reducing Bias and Variance: Generative Semantic Guidance and Bi-Layer Ensemble for Image Clustering

Image clustering aims to partition unlabeled image datasets into distinct groups. A core aspect of this task is constructing and leveraging prior knowledge to guide the clustering process. Recent approaches introduce semantic descriptions as prior information, most of which typically relying on matching-based techniques with predefined vocabularies. However, the limited matching space restricts their adaptability to downstream clustering tasks. Moreover, these methods primarily focus on reducing bias to improve performance, frequently overlooking the importance of variance reduction. To address these limitations, we propose GSEC (Image Clustering based on Generative Semantic Guidance and Bi-Layer Ensemble), a framework designed to reduce bias through generative semantic guidance and mitigate variance via ensemble learning. Our method employs Multimodal Large Language Models to generate semantic descriptions and derive image embeddings via weighted averaging. Additionally, a bi-layer ensemble strategy integrates cross-modal information through BatchEnsemble in the inner layer and aligns outputs via an alignment mechanism in the outer layer. Comparative experiments demonstrate that GSEC outperforms 18 state-of-the-art methods across six benchmark datasets, while further analysis confirms its effectiveness in simultaneously reducing both bias and variance. The code is available at https://github.com/2017LI/GSEC.git.

preprint2023arXiv

Combining Bayesian reconstruction entropy with maximum entropy method for analytic continuations of matrix-valued Green's functions

The Bayesian reconstruction entropy is considered an alternative to the Shannon-Jaynes entropy, as it does not exhibit the asymptotic flatness characteristic of the Shannon-Jaynes entropy and obeys the scale invariance. It is commonly utilized in conjunction with the maximum entropy method to derive spectral functions from Euclidean time correlators produced by lattice QCD simulations. This study expands the application of the Bayesian reconstruction entropy to the reconstruction of spectral functions for Matsubara or imaginary-time Green's functions in quantum many-body physics. Furthermore, it extends the Bayesian reconstruction entropy to implement the positive-negative entropy algorithm, enabling the analytic continuations of matrix-valued Green's functions on an element-wise manner. Both the diagonal and off-diagonal components of the matrix-valued Green's functions are treated equally. Benchmark results for the analytic continuations of synthetic Green's functions indicate that the Bayesian reconstruction entropy, when combined with the preblur trick, demonstrates comparable performance to the Shannon-Jaynes entropy. Notably, it exhibits greater resilience to noises in the input data, particularly when the noise level is moderate.

preprint2022arXiv

AGO-Net: Association-Guided 3D Point Cloud Object Detection Network

The human brain can effortlessly recognize and localize objects, whereas current 3D object detection methods based on LiDAR point clouds still report inferior performance for detecting occluded and distant objects: the point cloud appearance varies greatly due to occlusion, and has inherent variance in point densities along the distance to sensors. Therefore, designing feature representations robust to such point clouds is critical. Inspired by human associative recognition, we propose a novel 3D detection framework that associates intact features for objects via domain adaptation. We bridge the gap between the perceptual domain, where features are derived from real scenes with sub-optimal representations, and the conceptual domain, where features are extracted from augmented scenes that consist of non-occlusion objects with rich detailed information. A feasible method is investigated to construct conceptual scenes without external datasets. We further introduce an attention-based re-weighting module that adaptively strengthens the feature adaptation of more informative regions. The network's feature enhancement ability is exploited without introducing extra cost during inference, which is plug-and-play in various 3D detection frameworks. We achieve new state-of-the-art performance on the KITTI 3D detection benchmark in both accuracy and speed. Experiments on nuScenes and Waymo datasets also validate the versatility of our method.

preprint2022arXiv

Multilingual Molecular Representation Learning via Contrastive Pre-training

Molecular representation learning plays an essential role in cheminformatics. Recently, language model-based approaches have gained popularity as an alternative to traditional expert-designed features to encode molecules. However, these approaches only utilize a single molecular language for representation learning. Motivated by the fact that a given molecule can be described using different languages such as Simplified Molecular Line Entry System (SMILES), The International Union of Pure and Applied Chemistry (IUPAC), and The IUPAC International Chemical Identifier (InChI), we propose a multilingual molecular embedding generation approach called MM-Deacon (multilingual molecular domain embedding analysis via contrastive learning). MM-Deacon is pre-trained using SMILES and IUPAC as two different languages on large-scale molecules. We evaluated the robustness of our method on seven molecular property prediction tasks from MoleculeNet benchmark, zero-shot cross-lingual retrieval, and a drug-drug interaction prediction task.

preprint2021arXiv

Random vector functional link neural network based ensemble deep learning for short-term load forecasting

Electricity load forecasting is crucial for the power systems' planning and maintenance. However, its un-stationary and non-linear characteristics impose significant difficulties in anticipating future demand. This paper proposes a novel ensemble deep Random Vector Functional Link (edRVFL) network for electricity load forecasting. The weights of hidden layers are randomly initialized and kept fixed during the training process. The hidden layers are stacked to enforce deep representation learning. Then, the model generates the forecasts by ensembling the outputs of each layer. Moreover, we also propose to augment the random enhancement features by empirical wavelet transformation (EWT). The raw load data is decomposed by EWT in a walk-forward fashion, not introducing future data leakage problems in the decomposition process. Finally, all the sub-series generated by the EWT, including raw data, are fed into the edRVFL for forecasting purposes. The proposed model is evaluated on twenty publicly available time series from the Australian Energy Market Operator of the year 2020. The simulation results demonstrate the proposed model's superior performance over eleven forecasting methods in three error metrics and statistical tests on electricity load forecasting tasks.

preprint2020arXiv

3DCFS: Fast and Robust Joint 3D Semantic-Instance Segmentation via Coupled Feature Selection

We propose a novel fast and robust 3D point clouds segmentation framework via coupled feature selection, named 3DCFS, that jointly performs semantic and instance segmentation. Inspired by the human scene perception process, we design a novel coupled feature selection module, named CFSM, that adaptively selects and fuses the reciprocal semantic and instance features from two tasks in a coupled manner. To further boost the performance of the instance segmentation task in our 3DCFS, we investigate a loss function that helps the model learn to balance the magnitudes of the output embedding dimensions during training, which makes calculating the Euclidean distance more reliable and enhances the generalizability of the model. Extensive experiments demonstrate that our 3DCFS outperforms state-of-the-art methods on benchmark datasets in terms of accuracy, speed and computational cost.

preprint2020arXiv

Associate-3Ddet: Perceptual-to-Conceptual Association for 3D Point Cloud Object Detection

Object detection from 3D point clouds remains a challenging task, though recent studies pushed the envelope with the deep learning techniques. Owing to the severe spatial occlusion and inherent variance of point density with the distance to sensors, appearance of a same object varies a lot in point cloud data. Designing robust feature representation against such appearance changes is hence the key issue in a 3D object detection method. In this paper, we innovatively propose a domain adaptation like approach to enhance the robustness of the feature representation. More specifically, we bridge the gap between the perceptual domain where the feature comes from a real scene and the conceptual domain where the feature is extracted from an augmented scene consisting of non-occlusion point cloud rich of detailed information. This domain adaptation approach mimics the functionality of the human brain when proceeding object perception. Extensive experiments demonstrate that our simple yet effective approach fundamentally boosts the performance of 3D point cloud object detection and achieves the state-of-the-art results.

preprint2020arXiv

Floquet engineering the Hofstadter butterfly in the square lattice and its effective Hamiltonian

In this paper, we use Floquet theory to theoretically study the effect of monochromatic circularly and linearly polarized light on the Hofstadter butterfly in the square lattice, which is induced by uniform perpendicular magnetic field. In the absence of laser, the butterfly has a fractal, self-similar structure particle-hole symmetry and reflection symmetry about magnetic flux $ϕ= 1/2$. These symmetries are preserved by the sub-lattice and the time-reversal symmetry, respectively. As the system is exposed to circularly polarized light, the original Hofsatdter butterfly in equilibrium is deformed by breaking both the particle-hole symmetry and the mirror symmetry, while the inversion symmetry about energy $E=0$ and magnetic flux $ϕ=1/2$ is preserved. Our study show that, the circularly polarized light break both the sub-lattice symmetry and the time-reversal symmetry. The inversion symmetry is preserved because the Hamiltonian at magnetic flux $ϕ$ and $1-ϕ$ is connected through the sub-lattice transformation. Focusing on the small flux region, we study the Landau level and the influence of circularly polarized light on the Landau level. On the contrary, the linearly polarized light deforms the original Hofstadter butterfly by breaking the rotational symmetry while preserving sub-lattice and the time-reversal symmetry. Further, we study the influence of the periodic drive on the Chern number of the lowest band in middle Floquet copy within the off-resonance regime. We found strong circularly polarized light will change the Chern number. For linearly polarized light, the Chern number will not change and the values stay independent of laser polarization direction. Our work highlights the generic features expected for the periodically driven Hofstadter problem on square lattice and provide the strategy to engineering the Hofstadter butterfly with laser.

preprint2016arXiv

Doping-driven orbital-selective Mott transition in multi-band Hubbard models with crystal field splitting

We have studied the doping-driven orbital-selective Mott transition in multi-band Hubbard models with equal band width in the presence of crystal field splitting. Crystal field splitting lifts one of the bands while leaving the others degenerate. We use single-site dynamical mean-field theory combined with continuous time quantum Monte Carlo impurity solver to calculate a phase diagram as a function of total electron filling $N$ and crystal field splitting $Δ$. We find a large region of orbital-selective Mott phase in the phase diagram when the doping is large enough. Further analysis indicates that the large region of orbital-selective Mott phase is driven and stabilized by doping. Such models may account for the orbital-selective Mott transition in some doped realistic strongly correlated materials.

preprint2015arXiv

$i$QIST: An open source continuous-time quantum Monte Carlo impurity solver toolkit

Quantum impurity solvers have a broad range of applications in theoretical studies of strongly correlated electron systems. Especially, they play a key role in dynamical mean-field theory calculations of correlated lattice models and realistic materials. Therefore, the development and implementation of efficient quantum impurity solvers is an important task. In this paper, we present an open source interacting quantum impurity solver toolkit (dubbed $i$QIST). This package contains several highly optimized quantum impurity solvers which are based on the hybridization expansion continuous-time quantum Monte Carlo algorithm, as well as some essential pre- and post-processing tools. We first introduce the basic principle of continuous-time quantum Monte Carlo algorithm and then discuss the implementation details and optimization strategies. The software framework, major features, and installation procedure for $i$QIST are also explained. Finally, several simple tutorials are presented in order to demonstrate the usage and power of $i$QIST.

preprint2015arXiv

Unsupervised Feature Selection with Adaptive Structure Learning

The problem of feature selection has raised considerable interests in the past decade. Traditional unsupervised methods select the features which can faithfully preserve the intrinsic structures of data, where the intrinsic structures are estimated using all the input features of data. However, the estimated intrinsic structures are unreliable/inaccurate when the redundant and noisy features are not removed. Therefore, we face a dilemma here: one need the true structures of data to identify the informative features, and one need the informative features to accurately estimate the true structures of data. To address this, we propose a unified learning framework which performs structure learning and feature selection simultaneously. The structures are adaptively learned from the results of feature selection, and the informative features are reselected to preserve the refined structures of data. By leveraging the interactions between these two essential tasks, we are able to capture accurate structures and select more informative features. Experimental results on many benchmark data sets demonstrate that the proposed method outperforms many state of the art unsupervised feature selection methods.

preprint2014arXiv

Heterogeneous Metric Learning with Content-based Regularization for Software Artifact Retrieval

The problem of software artifact retrieval has the goal to effectively locate software artifacts, such as a piece of source code, in a large code repository. This problem has been traditionally addressed through the textual query. In other words, information retrieval techniques will be exploited based on the textual similarity between queries and textual representation of software artifacts, which is generated by collecting words from comments, identifiers, and descriptions of programs. However, in addition to these semantic information, there are rich information embedded in source codes themselves. These source codes, if analyzed properly, can be a rich source for enhancing the efforts of software artifact retrieval. To this end, in this paper, we develop a feature extraction method on source codes. Specifically, this method can capture both the inherent information in the source codes and the semantic information hidden in the comments, descriptions, and identifiers of the source codes. Moreover, we design a heterogeneous metric learning approach, which allows to integrate code features and text features into the same latent semantic space. This, in turn, can help to measure the artifact similarity by exploiting the joint power of both code and text features. Finally, extensive experiments on real-world data show that the proposed method can help to improve the performances of software artifact retrieval with a significant margin.

preprint2013arXiv

Robust topological insulator surface conduction under strong surface disorder

Topological insulators are characterized by specially protected conduction on their outer boundaries. We show that the protected edge conduction exhibited by 2-D topological insulators (and also Chern insulators) is independent of non-magnetic boundary disorder. In particular, the edge states residing inside the bulk gap remain conducting even when edge state inhomogeneities destroy the characteristic linear Dirac relation between energy and momentum. The main effects of boundary disorder on the in-gap states are to decrease the Fermi velocity, increase the density of states, pull the states into the disordered region if spin is conserved, and at very large disorder shift the states to the boundary between the disordered edge and the clean bulk. These effects, which may be useful for device engineering, are controlled by a resonance between the disordered edge and the bulk bands. The resonance's energy is set by the bulk band width; protection of the in-gap edge states' plane-wave character is controlled by the bulk band width, not the bulk band gap.

preprint2012arXiv

Complete phase diagram for three-band Hubbard model with orbital degeneracy lifted by crystal field splitting

Motivated by the unexplored complexity of the phase diagrams for multi-orbital Hubbard models, a three-band Hubbard model at integer fillings (N=4) with orbital degeneracy lifted partially by crystal field splitting is analyzed systematically in this work. By using single site dynamical mean-field theory and rotationally invariant Gutzwiller approximation, we have computed the full phase diagram with Coulomb interaction strength $U$ and crystal field splitting $Δ$. We find a large region in the phase diagram, where an orbital selective Mott phase will be stabilized by the positive crystal field lifting the orbital degeneracy. Further analysis indicates that the Hund's rule coupling is essential for the orbital selective Mott phase and the transition toward this phase is accompanied by a high-spin to low-spin transition. Such a model may be relevant for the recently discovered pnictides and ruthenates correlated materials.

preprint2012arXiv

Metal-insulator transition in three-band Hubbard model with strong spin-orbit interaction

Recent investigations suggest that both spin-orbit coupling and electron correlation play very crucial roles in the $5d$ transition metal oxides. By using the generalized Gutzwiller variational method and dynamical mean-field theory with the hybridization expansion continuous time quantum Monte Carlo as impurity solver, the three-band Hubbard model with full Hund's rule coupling and spin-orbit interaction terms, which contains the essential physics of partially filled $t_{2g}$ sub-shell of $5d$ materials, is studied systematically. The calculated phase diagram of this model exhibits three distinct phase regions, including metal, band insulator and Mott insulator respectively. We find that the spin-orbit coupling term intends to greatly enhance the tendency of the Mott insulator phase. Furthermore, the influence of the electron-electron interaction on the effective strength of spin-orbit coupling in the metallic phase is studied in detail. We conclude that the electron correlation effect on the effective spin-orbit coupling is far beyond the mean-field treatment even in the intermediate coupling region.

preprint2012arXiv

The electronic structure of NaIrO$_3$, Mott insulator or band insulator?

Motivated by the unveiled complexity of nonmagnetic insulating behavior in pentavalent post-perovskite NaIrO$_3$, we have studied its electronic structure and phase diagram in the plane of Coulomb repulsive interaction and spin-orbit coupling (SOC) by using the newly developed local density approximation plus Gutzwiller method. Our theoretical study proposes the metal-insulator transition can be generated by two different physical pictures: renormalized band insulator or Mott insulator regime. For the realistic material parameters in NaIrO$_3$, Coulomb interaction $U=2.0 (J=U/4)$ eV and SOC strength $η=0.33$ eV, it tends to favor the renormalized band insulator picture as revealed by our study.