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Source author record

Pan Zhang

Pan Zhang appears in the imported research catalog. Authorship, coauthor and topic links are available while profile ownership is still unclaimed.

ResearcherUnclaimed source record
cond-mat.stat-mechMachine Learningcond-mat.dis-nnSocial and Information Networksmath.DGphysics.soc-phComputer Visioncond-mat.str-elcond-mat.supr-conquant-phphysics.comp-phcond-mat.mtrl-scieess.IVGraphicsArtificial IntelligenceInformation Theorymath.ITphysics.data-anComputationComputational ComplexityDiscrete Mathematicseess.SYGenomicshep-thmath.SPmath.STQuantitative MethodsStatistics TheorySystems and Control

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Published work

51 published item(s)

preprint2026arXiv

Inverse Knowledge Search over Verifiable Reasoning: Synthesizing a Scientific Encyclopedia from a Long Chains-of-Thought Knowledge Base

Most scientific materials compress reasoning, presenting conclusions while omitting the derivational chains that justify them. This compression hinders verification by lacking explicit, step-wise justifications and inhibits cross-domain links by collapsing the very pathways that establish the logical and causal connections between concepts. We introduce a scalable framework that decompresses scientific reasoning, constructing a verifiable Long Chain-of-Thought (LCoT) knowledge base and projecting it into an emergent encyclopedia, SciencePedia. Our pipeline operationalizes an endpoint-driven, reductionist strategy: a Socratic agent, guided by a curriculum of around 200 courses, generates approximately 3 million first-principles questions. To ensure high fidelity, multiple independent solver models generate LCoTs, which are then rigorously filtered by prompt sanitization and cross-model answer consensus, retaining only those with verifiable endpoints. This verified corpus powers the Brainstorm Search Engine, which performs inverse knowledge search -- retrieving diverse, first-principles derivations that culminate in a target concept. This engine, in turn, feeds the Plato synthesizer, which narrates these verified chains into coherent articles. The initial SciencePedia comprises approximately 200,000 fine-grained entries spanning mathematics, physics, chemistry, biology, engineering, and computation. In evaluations across six disciplines, Plato-synthesized articles (conditioned on retrieved LCoTs) exhibit substantially higher knowledge-point density and significantly lower factual error rates than an equally-prompted baseline without retrieval (as judged by an external LLM). Built on this verifiable LCoT knowledge base, this reasoning-centric approach enables trustworthy, cross-domain scientific synthesis at scale and establishes the foundation for an ever-expanding encyclopedia.

0 citations0 reviewsNo code linkedOpen access
preprint2026arXiv

Schrödinger Operators, Integral Curvature, and the Euler Characteristic of Riemannian Manifolds

We establish new connections between integral curvature bounds and the Euler characteristic of closed Riemannian manifolds through the perspective of Schrödinger-type operators. Central to our approach is the twisted Dirac operator \(\mathcal{D}_θ\), whose index equals \(χ(M)\). Under integral smallness conditions on the negative part of a potential \(V\) and a Sobolev--Poincaré inequality, we show that a suitable scaling of \(θ\) forces the kernel of \(\mathcal{D}_{tθ}\) to vanish, thereby implying \(χ(M)=0\). Applying this framework to geometrically natural potentials yields several topological consequences. In even dimensions, sufficiently small integral bounds on partial sums of curvature operator eigenvalues force \(χ(M)\) either to vanish or to have a sign determined by the middle dimension. For four-manifolds, a small \(L^{p}\)-norm of the negative Ricci curvature relative to the diameter guarantees \(χ(M)\ge 0\). Moreover, when \(χ(M)\neq 0\) we obtain a Li--Yau type lower bound for the first eigenvalue of the rough Laplacian on \(1\)-forms in terms of the diameter and an integral curvature quantity. Subsequently, we provide an explicit lower bound for the first eigenvalue of the Laplacian on $1$-forms under almost nonnegative curvature conditions, thereby giving an affirmative answer to Yau's Problem 79.

0 citations0 reviewsNo code linkedOpen access
preprint2026arXiv

Strategic Over-Parameterization for Generalizable Low-Rank Adaptation

Adapting large language models (LLMs) to downstream tasks via full fine-tuning is increasingly impractical due to its computational and memory demands. Parameter-efficient fine-tuning (PEFT) approaches such as Low-Rank Adaptation (LoRA) mitigate this by confining updates to a compact set of trainable parameters, but this aggressive reduction often sacrifices generalization, especially under transfer across heterogeneous tasks and domains. We revisit the tension between parameter efficiency and adaptation capacity, and ask whether the two are truly at odds. We answer in the negative by introducing LoRA-Over, a framework grounded in a simple principle: enrich the optimization landscape during training, then collapse the enrichment at inference. LoRA-Over injects auxiliary parameters into the low-rank adapters during training to broaden the effective hypothesis space, and through a decomposition-based reformulation folds them back into a standard low-rank structure with negligible reconstruction error, keeping inference cost identical to vanilla LoRA. Since not all weight matrices benefit equally from added capacity, we further propose two scheduling strategies, one statically predefined and one dynamically determined at runtime, that direct extra capacity where most needed. We evaluate LoRA-Over on language understanding (GLUE, T5-Base), dialogue (MT-Bench), arithmetic reasoning (GSM8K), and code generation (HumanEval), using LLaMA 2-7B and LLaMA 3.1-8B. Across all benchmarks and scales, LoRA-Over consistently outperforms vanilla LoRA, showing that principled over-parameterization designed to vanish at inference is an effective lever for improving PEFT generalization. Code will be released upon acceptance.

0 citations0 reviewsNo code linkedOpen access
preprint2023arXiv

The Limit of the Yang-Mills-Higgs Flow for twisted Higgs pairs

In this paper, we consider the Yang-Mills-Higgs flow for twisted Higgs pairs over Kähler manifolds. We prove that this flow converges to a reflexive twisted Higgs sheaf outside a closed subset of codimension $4$, and the limiting twisted Higgs sheaf is isomorphic to the double dual of the graded twisted Higgs sheaves associated to the Harder-Narasimhan--eshadri filtration of the initial twisted Higgs bundle.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

A new higher order Yang--Mills--Higgs flow in Riemannian $4$-manifold

Let $(M,g)$ be a closed Riemannian $4$-manifold and let $E$ be a vector bundle over $M$ with structure group $G$, where $G$ is a compact Lie group. In this paper, we consider a new higher order Yang--Mills--Higgs functional, in which the Higgs field is a section of $Ω^0(\textmd{ad}E)$. We show that, under suitable conditions, solutions to the gradient flow do not hit any finite time singularities. In the case that $E$ is a line bundle, we are able to use a different blow up procedure and obtain an improvement of the long time result in \cite{Z1}. The proof is rather relevant to the properties of the Green function, which is very different from the previous techniques in \cite{Ke,Sa,Z1}.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Origin of performance degradation in high-delithiation Li$_x$CoO$_2$: insights from direct atomic simulations using global neural network potentials

Li$_x$CoO$_2$ based batteries have serious capacity degradation and safety issues when cycling at high-delithiation states but full and consistent mechanisms are still poorly understood. Herein, a global neural network potential (GNNP) is developed to provide direct theoretical understandings by performing long-time and large-size atomic simulations. We propose a self-consistent picture as follows: (i) CoO$_2$ layers are easier to glide with longer distances at more highly delithiated states, resulting in structural transitions and structural inhomogeneity; (ii) at regions between different phases with different Li distributions due to gliding, local strains are induced and accumulate during cycling processes; (3) accumulated strains cause the rupture of Li diffusion channels and result in formation of oxygen dimers during cycling especially when Li has inhomogeneous distributions, leading to capacity degradations and safety issues. We find that large tensile strains combined with inhomogeneous distributions of Li ions play critical roles in the formation processes of blocked Li diffusion channels and the oxygen dimers at high-delithiation states, which could be the fundamental origins of capacity degradations and safety issues. Correspondingly, suppressing accumulations of strains by controlling charge and discharge conditions as well as suppressing the gliding will be helpful for improving the performance of lithium-ion batteries (LIBs).

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Real-Time Neural Character Rendering with Pose-Guided Multiplane Images

We propose pose-guided multiplane image (MPI) synthesis which can render an animatable character in real scenes with photorealistic quality. We use a portable camera rig to capture the multi-view images along with the driving signal for the moving subject. Our method generalizes the image-to-image translation paradigm, which translates the human pose to a 3D scene representation -- MPIs that can be rendered in free viewpoints, using the multi-views captures as supervision. To fully cultivate the potential of MPI, we propose depth-adaptive MPI which can be learned using variable exposure images while being robust to inaccurate camera registration. Our method demonstrates advantageous novel-view synthesis quality over the state-of-the-art approaches for characters with challenging motions. Moreover, the proposed method is generalizable to novel combinations of training poses and can be explicitly controlled. Our method achieves such expressive and animatable character rendering all in real time, serving as a promising solution for practical applications.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Semi-Supervised Image-to-Image Translation using Latent Space Mapping

Recent image-to-image translation works have been transferred from supervised to unsupervised settings due to the expensive cost of capturing or labeling large amounts of paired data. However, current unsupervised methods using the cycle-consistency constraint may not find the desired mapping, especially for difficult translation tasks. On the other hand, a small number of paired data are usually accessible. We therefore introduce a general framework for semi-supervised image translation. Unlike previous works, our main idea is to learn the translation over the latent feature space instead of the image space. Thanks to the low dimensional feature space, it is easier to find the desired mapping function, resulting in improved quality of translation results as well as the stability of the translation model. Empirically we show that using feature translation generates better results, even using a few bits of paired data. Experimental comparisons with state-of-the-art approaches demonstrate the effectiveness of the proposed framework on a variety of challenging image-to-image translation tasks

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Solving the sampling problem of the Sycamore quantum circuits

We study the problem of generating independent samples from the output distribution of Google's Sycamore quantum circuits with a target fidelity, which is believed to be beyond the reach of classical supercomputers and has been used to demonstrate quantum supremacy. We propose a new method to classically solve this problem by contracting the corresponding tensor network just once, and is massively more efficient than existing methods in obtaining a large number of uncorrelated samples with a target fidelity. For the Sycamore quantum supremacy circuit with $53$ qubits and $20$ cycles, we have generated one million uncorrelated bitstrings $\{\mathbf s\}$ which are sampled from a distribution $\hat P(\mathbf s)=|\hat ψ(\mathbf s)|^2$, where the approximate state $\hat ψ$ has fidelity $F\approx 0.0037$. The whole computation has cost about $15$ hours on a computational cluster with $512$ GPUs. The obtained one million samples, the contraction code and contraction order is made public. If our algorithm could be implemented with high efficiency on a modern supercomputer with ExaFLOPS performance, we estimate that ideally, the simulation would cost a few dozens of seconds, which is faster than Google's quantum hardware.

0 citations0 reviewsNo code linkedOpen access
preprint2021arXiv

Prototypical Pseudo Label Denoising and Target Structure Learning for Domain Adaptive Semantic Segmentation

Self-training is a competitive approach in domain adaptive segmentation, which trains the network with the pseudo labels on the target domain. However inevitably, the pseudo labels are noisy and the target features are dispersed due to the discrepancy between source and target domains. In this paper, we rely on representative prototypes, the feature centroids of classes, to address the two issues for unsupervised domain adaptation. In particular, we take one step further and exploit the feature distances from prototypes that provide richer information than mere prototypes. Specifically, we use it to estimate the likelihood of pseudo labels to facilitate online correction in the course of training. Meanwhile, we align the prototypical assignments based on relative feature distances for two different views of the same target, producing a more compact target feature space. Moreover, we find that distilling the already learned knowledge to a self-supervised pretrained model further boosts the performance. Our method shows tremendous performance advantage over state-of-the-art methods. We will make the code publicly available.

0 citations0 reviewsNo code linkedOpen access
preprint2021arXiv

Simulating the Sycamore quantum supremacy circuits

We propose a general tensor network method for simulating quantum circuits. The method is massively more efficient in computing a large number of correlated bitstring amplitudes and probabilities than existing methods. As an application, we study the sampling problem of Google's Sycamore circuits, which are believed to be beyond the reach of classical supercomputers and have been used to demonstrate quantum supremacy. Using our method, employing a small computational cluster containing 60 graphical processing units (GPUs), we have generated one million correlated bitstrings with some entries fixed, from the Sycamore circuit with 53 qubits and 20 cycles, with linear cross-entropy benchmark (XEB) fidelity equals 0.739, which is much higher than those in Google's quantum supremacy experiments.

0 citations0 reviewsNo code linkedOpen access
preprint2021arXiv

Tropical Tensor Network for Ground States of Spin Glasses

We present a unified exact tensor network approach to compute the ground state energy, identify the optimal configuration, and count the number of solutions for spin glasses. The method is based on tensor networks with the Tropical Algebra defined on the semiring. Contracting the tropical tensor network gives the ground state energy; differentiating through the tensor network contraction gives the ground state configuration; mixing the tropical algebra and the ordinary algebra counts the ground state degeneracy. The approach brings together the concepts from graphical models, tensor networks, differentiable programming, and quantum circuit simulation, and easily utilizes the computational power of graphical processing units (GPUs). For applications, we compute the exact ground state energy of Ising spin glasses on square lattice up to 1024 spins, on cubic lattice up to 216 spins, and on 3 regular random graphs up to 220 spins, on a single GPU; We obtain exact ground state energy of (+/-)J Ising spin glass on the chimera graph of D-Wave quantum annealer of 512 qubits in less than 100 seconds and investigate the exact value of the residual entropy of (+/-)J spin glasses on the chimera graph; Finally, we investigate ground-state energy and entropy of 3-state Potts glasses on square lattices up to size 18 x 18. Our approach provides baselines and benchmarks for exact algorithms for spin glasses and combinatorial optimization problems, and for evaluating heuristic algorithms and mean-field theories.

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preprint2020arXiv

Bringing Old Photos Back to Life

We propose to restore old photos that suffer from severe degradation through a deep learning approach. Unlike conventional restoration tasks that can be solved through supervised learning, the degradation in real photos is complex and the domain gap between synthetic images and real old photos makes the network fail to generalize. Therefore, we propose a novel triplet domain translation network by leveraging real photos along with massive synthetic image pairs. Specifically, we train two variational autoencoders (VAEs) to respectively transform old photos and clean photos into two latent spaces. And the translation between these two latent spaces is learned with synthetic paired data. This translation generalizes well to real photos because the domain gap is closed in the compact latent space. Besides, to address multiple degradations mixed in one old photo, we design a global branch with a partial nonlocal block targeting to the structured defects, such as scratches and dust spots, and a local branch targeting to the unstructured defects, such as noises and blurriness. Two branches are fused in the latent space, leading to improved capability to restore old photos from multiple defects. The proposed method outperforms state-of-the-art methods in terms of visual quality for old photos restoration.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Contact Area Detector using Cross View Projection Consistency for COVID-19 Projects

The ability to determine what parts of objects and surfaces people touch as they go about their daily lives would be useful in understanding how the COVID-19 virus spreads. To determine whether a person has touched an object or surface using visual data, images, or videos, is a hard problem. Computer vision 3D reconstruction approaches project objects and the human body from the 2D image domain to 3D and perform 3D space intersection directly. However, this solution would not meet the accuracy requirement in applications due to projection error. Another standard approach is to train a neural network to infer touch actions from the collected visual data. This strategy would require significant amounts of training data to generalize over scale and viewpoint variations. A different approach to this problem is to identify whether a person has touched a defined object. In this work, we show that the solution to this problem can be straightforward. Specifically, we show that the contact between an object and a static surface can be identified by projecting the object onto the static surface through two different viewpoints and analyzing their 2D intersection. The object contacts the surface when the projected points are close to each other; we call this cross view projection consistency. Instead of doing 3D scene reconstruction or transfer learning from deep networks, a mapping from the surface in the two camera views to the surface space is the only requirement. For planar space, this mapping is the Homography transformation. This simple method can be easily adapted to real-life applications. In this paper, we apply our method to do office occupancy detection for studying the COVID-19 transmission pattern from an office desk in a meeting room using the contact information.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Contracting Arbitrary Tensor Networks: General Approximate Algorithm and Applications in Graphical Models and Quantum Circuit Simulations

We present a general method for approximately contracting tensor networks with an arbitrary connectivity. This enables us to release the computational power of tensor networks to wide use in inference and learning problems defined on general graphs. We show applications of our algorithm in graphical models, specifically on estimating free energy of spin glasses defined on various of graphs, where our method largely outperforms existing algorithms including the mean-field methods and the recently proposed neural-network-based methods. We further apply our method to the simulation of random quantum circuits, and demonstrate that, with a trade off of negligible truncation errors, our method is able to simulate large quantum circuits that are out of reach of the state-of-the-art simulation methods.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Cross-domain Correspondence Learning for Exemplar-based Image Translation

We present a general framework for exemplar-based image translation, which synthesizes a photo-realistic image from the input in a distinct domain (e.g., semantic segmentation mask, or edge map, or pose keypoints), given an exemplar image. The output has the style (e.g., color, texture) in consistency with the semantically corresponding objects in the exemplar. We propose to jointly learn the crossdomain correspondence and the image translation, where both tasks facilitate each other and thus can be learned with weak supervision. The images from distinct domains are first aligned to an intermediate domain where dense correspondence is established. Then, the network synthesizes images based on the appearance of semantically corresponding patches in the exemplar. We demonstrate the effectiveness of our approach in several image translation tasks. Our method is superior to state-of-the-art methods in terms of image quality significantly, with the image style faithful to the exemplar with semantic consistency. Moreover, we show the utility of our method for several applications

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Gradient Flows of Higher Order Yang-Mills-Higgs Functionals

In this paper, we define a family of functionals generalizing the Yang-Mills-Higgs functional on a closed Riemannian manifold. Then we prove the short time existence of the corresponding gradient flow by a gauge fixing technique. The lack of maximal principle for the higher order operator brings us a lot of inconvenience during the estimates for the Higgs field. We observe that the $L^2$-bound of the Higgs field is enough for energy estimates in $4$ dimension, and we show that, provided the order of derivatives, appearing in the higher order Yang-Mills-Higgs functionals, is strictly greater than 1, solutions to the gradient flow do not hit any finite time singularities. As for the Yang-Mills-Higgs $k$-functional with Higgs self-interaction, we show that, provided $\dim(M)<2(k+1)$, the associated gradient flow admits long time existence with smooth initial data. The proof depends on local $L^2$-derivative estimates, energy estimates and blow-up analysis.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Helium Incorporation Stabilized Direct-gap Silicides

The search of direct-gap Si-based semiconductors is of great interest due to the potential application in many technologically relevant fields. This work examines the incorporation of He as a possible route to form a direct band gap in Si. Structure predictions and first-principles calculations have shown that He reacts with Si at high pressure, to form the stable compounds Si2He and Si3He. Both compounds have host-guest structures consisting of a channel-like Si host framework filled with He guest atoms. The Si frameworks in two compounds could be persisted to ambient pressure after removal of He, forming two pure Si allotropes. Both Si-He compounds and both Si allotropes exhibit direct or quasi-direct band gaps of 0.84-1.34 eV, close to the optimal value (~1.3 eV) for solar cell applications. Analysis shows that Si2He with an electric-dipole-transition allowed band gap possesses higher absorption capacity than diamond cubic Si, which makes it to be a promising candidate material for thin-film solar cell.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Old Photo Restoration via Deep Latent Space Translation

We propose to restore old photos that suffer from severe degradation through a deep learning approach. Unlike conventional restoration tasks that can be solved through supervised learning, the degradation in real photos is complex and the domain gap between synthetic images and real old photos makes the network fail to generalize. Therefore, we propose a novel triplet domain translation network by leveraging real photos along with massive synthetic image pairs. Specifically, we train two variational autoencoders (VAEs) to respectively transform old photos and clean photos into two latent spaces. And the translation between these two latent spaces is learned with synthetic paired data. This translation generalizes well to real photos because the domain gap is closed in the compact latent space. Besides, to address multiple degradations mixed in one old photo, we design a global branch with apartial nonlocal block targeting to the structured defects, such as scratches and dust spots, and a local branch targeting to the unstructured defects, such as noises and blurriness. Two branches are fused in the latent space, leading to improved capability to restore old photos from multiple defects. Furthermore, we apply another face refinement network to recover fine details of faces in the old photos, thus ultimately generating photos with enhanced perceptual quality. With comprehensive experiments, the proposed pipeline demonstrates superior performance over state-of-the-art methods as well as existing commercial tools in terms of visual quality for old photos restoration.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Solving Statistical Mechanics on Sparse Graphs with Feedback Set Variational Autoregressive Networks

We propose a method for solving statistical mechanics problems defined on sparse graphs. It extracts a small Feedback Vertex Set (FVS) from the sparse graph, converting the sparse system to a much smaller system with many-body and dense interactions with an effective energy on every configuration of the FVS, then learns a variational distribution parameterized using neural networks to approximate the original Boltzmann distribution. The method is able to estimate free energy, compute observables, and generate unbiased samples via direct sampling without auto-correlation. Extensive experiments show that our approach is more accurate than existing approaches for sparse spin glasses. On random graphs and real-world networks, our approach significantly outperforms the standard methods for sparse systems such as the belief-propagation algorithm; on structured sparse systems such as two-dimensional lattices our approach is significantly faster and more accurate than recently proposed variational autoregressive networks using convolution neural networks.

0 citations0 reviewsNo code linkedOpen access
preprint2019arXiv

Phase transitions and optimal algorithms for semi-supervised classifications on graphs: from belief propagation to graph convolution network

We perform theoretical and algorithmic studies for the problem of clustering and semi-supervised classification on graphs with both pairwise relational information and single-point feature information, upon a joint stochastic block model for generating synthetic graphs with both edges and node features. Asymptotically exact analysis based on the Bayesian inference of the underlying model are conducted, using the cavity method in statistical physics. Theoretically, we identify a phase transition of the generative model, which puts fundamental limits on the ability of all possible algorithms in the clustering task of the underlying model. Algorithmically, we propose a belief propagation algorithm that is asymptotically optimal on the generative model, and can be further extended to a belief propagation graph convolution neural network (BPGCN) for semi-supervised classification on graphs. For the first time, well-controlled benchmark datasets with asymptotially exact properties and optimal solutions could be produced for the evaluation of graph convolution neural networks, and for the theoretical understanding of their strengths and weaknesses. In particular, on these synthetic benchmark networks we observe that existing graph convolution neural networks are subject to an sparsity issue and an ovefitting issue in practice, both of which are successfully overcome by our BPGCN. Moreover, when combined with classic neural network methods, BPGCN yields extraordinary classification performances on some real-world datasets that have never been achieved before.

0 citations0 reviewsNo code linkedOpen access
preprint2019arXiv

Self-falsifiable Hierarchical Detection of Overlapping Communities On Social Networks

No community detection algorithm can be optimal for all possible networks, thus it is important to identify whether the algorithm is suitable for a given network. We propose a multi-step algorithmic solution scheme for overlapping community detection based on an advanced label propagation process, which imitates the community formation process on social networks. Our algorithm is parameter-free and is able to reveal the hierarchical order of communities in the graph. The unique property of our solution scheme is self-falsifiability; an automatic quality check of the results is conducted after the detection, and the fitness of the algorithm for the specific network is reported. Extensive experiments show that our algorithm is self-consistent, reliable on networks of a wide range of size and different sorts, and is more robust than existing algorithms on both sparse and large-scale social networks. Results further suggest that our solution scheme may uncover features of networks' intrinsic community structures.

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preprint2019arXiv

Solving Quantum Statistical Mechanics with Variational Autoregressive Networks and Quantum Circuits

We extend the ability of unitary quantum circuits by interfacing it with classical autoregressive neural networks. The combined model parametrizes a variational density matrix as a classical mixture of quantum pure states, where the autoregressive network generates bitstring samples as input states to the quantum circuit. We devise an efficient variational algorithm to jointly optimize the classical neural network and the quantum circuit for quantum statistical mechanics problems. One can obtain thermal observables such as the variational free energy, entropy, and specific heat. As a by product, the algorithm also gives access to low energy excitation states. We demonstrate applications to thermal properties and excitation spectra of the quantum Ising model with resources that are feasible on near-term quantum computers.

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preprint2016arXiv

A New ZrCuSiAs-Type Superconductor: ThFeAsN

We report the first nitrogen-containing iron-pnictide superconductor ThFeAsN, which is synthesized by a solid-state reaction in an evacuated container. The compound crystallizes in a ZrCuSiAs-type structure with the space group P4/nmm and lattice parameters a=4.0367(1) Å and c=8.5262(2) Å at 300 K. The electrical resistivity and dc magnetic susceptibility measurements indicate superconductivity at 30 K for the nominally undoped ThFeAsN.

0 citations0 reviewsNo code linkedOpen access
preprint2016arXiv

Data quality for the inverse Ising problem

There are many methods proposed for inferring parameters of the Ising model from given data, that is a set of configurations generated according to the model itself. However little attention has been paid until now to the data, e.g. how the data is generated, whether the inference error using one set of data could be smaller than using another set of data, etc. In this paper we address the data quality problem in the kinetic inverse Ising problem. We quantify the quality of data using effective rank of the correlation matrix, and show that data gathered in a out of-equilibrium regime has a better quality than data gathered in equilibrium for coupling reconstruction. We also propose a matrix-perturbation based method for tuning the quality of given data and for removing bad-quality (i.e. redundant) configurations from data.

0 citations0 reviewsNo code linkedOpen access
preprint2016arXiv

Inequalities for Casorati curvatures of submanifolds in real space forms

By using T. Oprea's optimization methods on submanifolds, we give another proof of the inequalities relating the normalized $δ-$Casorati curvature $\hatδ_c(n-1)$ for submanifolds in real space forms. Also, inequalities relating the normalized $δ-$Casorati curvature $δ_C(n-1)$ for submanifolds in real space forms are obtained. Besides, we characterize a kind of Casorati ideal hypersurface of Euclidean 4-space. We also show that this kind of Casorati ideal hypersurface is rigid.

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preprint2016arXiv

Inference of the sparse kinetic Ising model using the decimation method

In this paper we study the inference of the kinetic Ising model on sparse graphs by the decimation method. The decimation method, which was first proposed in [Phys. Rev. Lett. 112, 070603] for the static inverse Ising problem, tries to recover the topology of the inferred system by setting the weakest couplings to zero iteratively. During the decimation process the likelihood function is maximized over the remaining couplings. Unlike the $\ell_1$-optimization based methods, the decimation method does not use the Laplace distribution as a heuristic choice of prior to select a sparse solution. In our case, the whole process can be done automatically without fixing any parameters by hand. We show that in the dynamical inference problem, where the task is to reconstruct the couplings of an Ising model given the data, the decimation process can be applied naturally into a maximum-likelihood optimization algorithm, as opposed to the static case where pseudo-likelihood method needs to be adopted. We also use extensive numerical studies to validate the accuracy of our methods in dynamical inference problems. Our results illustrate that on various topologies and with different distribution of couplings, the decimation method outperforms the widely-used $\ell _1$-optimization based methods.

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preprint2016arXiv

Robust Spectral Detection of Global Structures in the Data by Learning a Regularization

Spectral methods are popular in detecting global structures in the given data that can be represented as a matrix. However when the data matrix is sparse or noisy, classic spectral methods usually fail to work, due to localization of eigenvectors (or singular vectors) induced by the sparsity or noise. In this work, we propose a general method to solve the localization problem by learning a regularization matrix from the localized eigenvectors. Using matrix perturbation analysis, we demonstrate that the learned regularizations suppress down the eigenvalues associated with localized eigenvectors and enable us to recover the informative eigenvectors representing the global structure. We show applications of our method in several inference problems: community detection in networks, clustering from pairwise similarities, rank estimation and matrix completion problems. Using extensive experiments, we illustrate that our method solves the localization problem and works down to the theoretical detectability limits in different kinds of synthetic data. This is in contrast with existing spectral algorithms based on data matrix, non-backtracking matrix, Laplacians and those with rank-one regularizations, which perform poorly in the sparse case with noise.

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preprint2015arXiv

Community detection in networks with unequal groups

Recently, a phase transition has been discovered in the network community detection problem below which no algorithm can tell which nodes belong to which communities with success any better than a random guess. This result has, however, so far been limited to the case where the communities have the same size or the same average degree. Here we consider the case where the sizes or average degrees are different. This asymmetry allows us to assign nodes to communities with better-than- random success by examining their local neighborhoods. Using the cavity method, we show that this removes the detectability transition completely for networks with four groups or fewer, while for more than four groups the transition persists up to a critical amount of asymmetry but not beyond. The critical point in the latter case coincides with the point at which local information percolates, causing a global transition from a less-accurate solution to a more-accurate one.

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preprint2015arXiv

Detectability thresholds and optimal algorithms for community structure in dynamic networks

We study the fundamental limits on learning latent community structure in dynamic networks. Specifically, we study dynamic stochastic block models where nodes change their community membership over time, but where edges are generated independently at each time step. In this setting (which is a special case of several existing models), we are able to derive the detectability threshold exactly, as a function of the rate of change and the strength of the communities. Below this threshold, we claim that no algorithm can identify the communities better than chance. We then give two algorithms that are optimal in the sense that they succeed all the way down to this limit. The first uses belief propagation (BP), which gives asymptotically optimal accuracy, and the second is a fast spectral clustering algorithm, based on linearizing the BP equations. We verify our analytic and algorithmic results via numerical simulation, and close with a brief discussion of extensions and open questions.

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preprint2015arXiv

Evaluating accuracy of community detection using the relative normalized mutual information

The Normalized Mutual Information (NMI) has been widely used to evaluate the accuracy of community detection algorithms. However in this article we show that the NMI is seriously affected by systematic errors due to finite size of networks, and may give a wrong estimate of performance of algorithms in some cases. We give a simple theory to the finite-size effect of NMI and test our theory numerically. Then we propose a new metric for the accuracy of community detection, namely the relative Normalized Mutual Information (rNMI), which considers statistical significance of the NMI by comparing it with the expected NMI of random partitions. Our numerical experiments show that the rNMI overcomes the finite-size effect of the NMI.

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preprint2015arXiv

On CR Submanifolds of Maximal CR Dimension with Flat Normal Connection of a Complex Projective Space

In this paper, we study the CR submanifolds of maximal CR dimension with flat normal connection of a complex projective space. We first investigate the position of the umbilical normal vector in the normal bundle, especially for the submanifolds of dimension 3. Then as the application, we prove the non-existence of a class of CR submanifolds of maximal CR dimension with flat normal connection.

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preprint2015arXiv

Solution space structure of random constraint satisfaction problems with growing domains

In this paper we study the solution space structure of model RB, a standard prototype of Constraint Satisfaction Problem (CSPs) with growing domains. Using rigorous the first and the second moment method, we show that in the solvable phase close to the satisfiability transition, solutions are clustered into exponential number of well-separated clusters, with each cluster contains sub-exponential number of solutions. As a consequence, the system has a clustering (dynamical) transition but no condensation transition. This picture of phase diagram is different from other classic random CSPs with fixed domain size, such as random K-Satisfiability (K-SAT) and graph coloring problems, where condensation transition exists and is distinct from satisfiability transition. Our result verifies the non-rigorous results obtained using cavity method from spin glass theory, and sheds light on the structures of solution spaces of problems with a large number of states.

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preprint2014arXiv

Anomalous Eu Valence State and Superconductivity in Undoped Eu3Bi2S4F4

We have synthesized a novel europium bismuth sulfofluoride, Eu3Bi2S4F4, by solid-state reactions in sealed evacuated quartz ampoules. The compound crystallizes in a tetragonal lattice (space group I4/mmm, a = 4.0771(1) A, c = 32.4330(6) A, and Z = 2), in which CaF2-type Eu3F4 layers and NaCl-like BiS2 bilayers stack alternately along the crystallographic c axis. There are two crystallographically distinct Eu sites, Eu(1) and Eu(2) at the Wyckoff positions 4e and 2a, respectively. Our bond-valence-sum calculation, based on the refined structural data, indicates that Eu(1) is essentially divalent, whilst Eu(2) has an average valence of +2.64(5). This anomalous Eu valence state is further confirmed and supported, respectively, by Mossbauer and magnetization measurements. The Eu3+ components donate electrons into the conduction bands that are mainly composed of Bi- 6px and 6py states. Consequently, the material itself shows metallic conduction, and superconducts at 1.5 K without extrinsic chemical doping.

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preprint2014arXiv

Charge-density wave, superconductivity and $f$-electron valence instability in EuBiS$_2$F

Superconductivity (SC) and charge-density wave (CDW) are two contrasting yet relevant collective electronic states which have received sustained interest for decades. Here we report that, in a layered europium bismuth sulfofluoride, EuBiS$_2$F, a CDW-like transition occurs at 280 K, below which SC emerges at 0.3 K, without any extrinsic doping. The Eu ions were found to exhibit an anomalously temperature-independent mixed valence of about +2.2, associated with the formation of CDW. The mixed valence of Eu gives rise to self electron doping into the conduction bands mainly consisting of the in-plane Bi-6$p$ states, which in turn brings about the CDW and SC. In particular, the electronic specific-heat coefficient is enhanced by ~ 50 times, owing to the significant hybridizations between Eu-4$f$ and Bi-6$p$ electrons, as verified by band-structure calculations. Thus, EuBiS$_2$F manifests itself as an unprecedented material that simultaneously accommodates SC, CDW and $f$-electron valence instability.

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preprint2014arXiv

Non-backtracking operator for Ising model and its application in attractor neural networks

The non-backtracking operator was recently shown to give a redemption for spectral clustering in sparse graphs. In this paper we consider non-backtracking operator for Ising model on a general graph with a general coupling distribution by linearizing Belief Propagation algorithm at paramagnetic fixed-point. The spectrum of the operator is studied, the sharp edge of bulk and possible real eigenvalues outside the bulk are computed analytically as a function of couplings and temperature. We show the applications of the operator in attractor neural networks. At thermodynamic limit, our result recovers the phase boundaries of Hopfield model obtained by replica method. On single instances of Hopfield model, its eigenvectors can be used to retrieve all patterns simultaneously. We also give an example on how to control the neural networks, i.e. making network more sparse while keeping patterns stable, using the non-backtracking operator and matrix perturbation theory.

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preprint2014arXiv

Phase transitions in semisupervised clustering of sparse networks

Predicting labels of nodes in a network, such as community memberships or demographic variables, is an important problem with applications in social and biological networks. A recently-discovered phase transition puts fundamental limits on the accuracy of these predictions if we have access only to the network topology. However, if we know the correct labels of some fraction $α$ of the nodes, we can do better. We study the phase diagram of this "semisupervised" learning problem for networks generated by the stochastic block model. We use the cavity method and the associated belief propagation algorithm to study what accuracy can be achieved as a function of $α$. For $k = 2$ groups, we find that the detectability transition disappears for any $α> 0$, in agreement with previous work. For larger $k$ where a hard but detectable regime exists, we find that the easy/hard transition (the point at which efficient algorithms can do better than chance) becomes a line of transitions where the accuracy jumps discontinuously at a critical value of $α$. This line ends in a critical point with a second-order transition, beyond which the accuracy is a continuous function of $α$. We demonstrate qualitatively similar transitions in two real-world networks.

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preprint2014arXiv

Pressure-enhanced superconductivity in Eu$_3$Bi$_2$S$_4$F$_4$

The pressure effect on the newly discovered charge-transferred BiS$_2$-based superconductor, Eu$_3$Bi$_2$S$_4$F$_4$, with a $T_c$ of 1.5 K at ambient pressure, is investigated by transport and magnetic measurements. Accompanied with the enhancement of metallicity under pressures, the onset superconducting transition temperature increases abruptly around 1.0 GPa, reaching $\sim$10.0 K at 2.26 GPa. AC magnetic susceptibility measurements indicate that a new superconducting phase with a higher $T_c$ emerges and dominates at high pressures. In the broad pressure window of 0.68 GPa$\leq$$p$$\leq$2.00 GPa, the high-$T_c$ phase coexists with the low-$T_c$ phase. Hall effect measurements reveal a significant difference in electronic structures between the two superconducting phases. Our work devotes the effort to establish the commonality of pressure effect on the BiS$_2$-based superconductors, and also uncovers the importance of electron carrier density in the high-$T_c$ phase.

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preprint2014arXiv

Scalable detection of statistically significant communities and hierarchies, using message-passing for modularity

Modularity is a popular measure of community structure. However, maximizing the modularity can lead to many competing partitions, with almost the same modularity, that are poorly correlated with each other. It can also produce illusory "communities" in random graphs where none exist. We address this problem by using the modularity as a Hamiltonian at finite temperature, and using an efficient Belief Propagation algorithm to obtain the consensus of many partitions with high modularity, rather than looking for a single partition that maximizes it. We show analytically and numerically that the proposed algorithm works all the way down to the detectability transition in networks generated by the stochastic block model. It also performs well on real-world networks, revealing large communities in some networks where previous work has claimed no communities exist. Finally we show that by applying our algorithm recursively, subdividing communities until no statistically-significant subcommunities can be found, we can detect hierarchical structure in real-world networks more efficiently than previous methods.

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preprint2013arXiv

K and Mn co-doped BaCd2As2: a hexagonal structured bulk diluted magnetic semiconductor with large magnetoresistance

A bulk diluted magnetic semiconductor was found in the K and Mn co-doped BaCd2As2 system. Different from recently reported tetragonal ThCr2Si2-structured II-II-V based(Ba,K)(Zn,Mn)2As2, the Ba1-yKyCd2-xMnxAs2 system has a hexagonal CaAl2Si2-type structure with the Cd2As2 layer forming a honeycomb-like network. The Mn concentration reaches up to its x ? 0.4. Magnetization measurements show that the samples undergo ferromagnetic transitions with Curie temperature up to 16 K. With low coercive field less than 10 Oe and large magnetoresistence of about -70%, the hexagonal structured Ba1-yKyCd2-xMnxAs2 can be served as a promising candidate for spin manipulations.

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preprint2013arXiv

Model Selection for Degree-corrected Block Models

The proliferation of models for networks raises challenging problems of model selection: the data are sparse and globally dependent, and models are typically high-dimensional and have large numbers of latent variables. Together, these issues mean that the usual model-selection criteria do not work properly for networks. We illustrate these challenges, and show one way to resolve them, by considering the key network-analysis problem of dividing a graph into communities or blocks of nodes with homogeneous patterns of links to the rest of the network. The standard tool for doing this is the stochastic block model, under which the probability of a link between two nodes is a function solely of the blocks to which they belong. This imposes a homogeneous degree distribution within each block; this can be unrealistic, so degree-corrected block models add a parameter for each node, modulating its over-all degree. The choice between ordinary and degree-corrected block models matters because they make very different inferences about communities. We present the first principled and tractable approach to model selection between standard and degree-corrected block models, based on new large-graph asymptotics for the distribution of log-likelihood ratios under the stochastic block model, finding substantial departures from classical results for sparse graphs. We also develop linear-time approximations for log-likelihoods under both the stochastic block model and the degree-corrected model, using belief propagation. Applications to simulated and real networks show excellent agreement with our approximations. Our results thus both solve the practical problem of deciding on degree correction, and point to a general approach to model selection in network analysis.

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preprint2013arXiv

Non-adaptive pooling strategies for detection of rare faulty items

We study non-adaptive pooling strategies for detection of rare faulty items. Given a binary sparse N-dimensional signal x, how to construct a sparse binary MxN pooling matrix F such that the signal can be reconstructed from the smallest possible number M of measurements y=Fx? We show that a very low number of measurements is possible for random spatially coupled design of pools F. Our design might find application in genetic screening or compressed genotyping. We show that our results are robust with respect to the uncertainty in the matrix F when some elements are mistaken.

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preprint2013arXiv

Robust error correction for real-valued signals via message-passing decoding and spatial coupling

We revisit the error correction scheme of real-valued signals when the codeword is corrupted by gross errors on a fraction of entries and a small noise on all the entries. Combining the recent developments of approximate message passing and the spatially-coupled measurement matrix in compressed sensing we show that the error correction and its robustness towards noise can be enhanced considerably. We discuss the performance in the large signal limit using previous results on state evolution, as well as for finite size signals through numerical simulations. Even for relatively small sizes, the approach proposed here outperforms convex-relaxation-based decoders.

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preprint2013arXiv

Spectral redemption: clustering sparse networks

Spectral algorithms are classic approaches to clustering and community detection in networks. However, for sparse networks the standard versions of these algorithms are suboptimal, in some cases completely failing to detect communities even when other algorithms such as belief propagation can do so. Here we introduce a new class of spectral algorithms based on a non-backtracking walk on the directed edges of the graph. The spectrum of this operator is much better-behaved than that of the adjacency matrix or other commonly used matrices, maintaining a strong separation between the bulk eigenvalues and the eigenvalues relevant to community structure even in the sparse case. We show that our algorithm is optimal for graphs generated by the stochastic block model, detecting communities all the way down to the theoretical limit. We also show the spectrum of the non-backtracking operator for some real-world networks, illustrating its advantages over traditional spectral clustering.

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preprint2013arXiv

The hard-core model on random graphs revisited

We revisit the classical hard-core model, also known as independent set and dual to vertex cover problem, where one puts particles with a first-neighbor hard-core repulsion on the vertices of a random graph. Although the case of random graphs with small and very large average degrees respectively are quite well understood, they yield qualitatively different results and our aim here is to reconciliate these two cases. We revisit results that can be obtained using the (heuristic) cavity method and show that it provides a closed-form conjecture for the exact density of the densest packing on random regular graphs with degree K>=20, and that for K>16 the nature of the phase transition is the same as for large K. This also shows that the hard-code model is the simplest mean-field lattice model for structural glasses and jamming.

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preprint2012arXiv

Comparative Study for Inference of Hidden Classes in Stochastic Block Models

Inference of hidden classes in stochastic block model is a classical problem with important applications. Most commonly used methods for this problem involve na\"ıve mean field approaches or heuristic spectral methods. Recently, belief propagation was proposed for this problem. In this contribution we perform a comparative study between the three methods on synthetically created networks. We show that belief propagation shows much better performance when compared to na\"ıve mean field and spectral approaches. This applies to accuracy, computational efficiency and the tendency to overfit the data.

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preprint2012arXiv

Inference of kinetic Ising model on sparse graphs

Based on dynamical cavity method, we propose an approach to the inference of kinetic Ising model, which asks to reconstruct couplings and external fields from given time-dependent output of original system. Our approach gives an exact result on tree graphs and a good approximation on sparse graphs, it can be seen as an extension of Belief Propagation inference of static Ising model to kinetic Ising model. While existing mean field methods to the kinetic Ising inference e.g., na\" ive mean-field, TAP equation and simply mean-field, use approximations which calculate magnetizations and correlations at time $t$ from statistics of data at time $t-1$, dynamical cavity method can use statistics of data at times earlier than $t-1$ to capture more correlations at different time steps. Extensive numerical experiments show that our inference method is superior to existing mean-field approaches on diluted networks.

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preprint2009arXiv

Stability analysis on the finite-temperature replica-symmetric and first-step replica-symmetry-broken cavity solutions of the random vertex cover problem

The vertex-cover problem is a prototypical hard combinatorial optimization problem. It was studied in recent years by physicists using the cavity method of statistical mechanics. In this paper, the stability of the finite-temperature replica-symmetric (RS) and the first-step replica-symmetry-broken (1RSB) cavity solutions of the vertex cover problem on random regular graphs of finite vertex-degree $K$ are analyzed by population dynamics simulations. We found that (1) the lowest temperature for the RS solution to be stable, $T_{RS}(K)$, is not a monotonic function of $K$, and (2) at relatively large connectivity $K$ and temperature $T$ slightly below the dynamic transition temperature $T_d(K)$, the 1RSB solutions with small but non-negative complexity values are stable. Similar results are obtained on random Poissonian graphs.

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preprint2007arXiv

Transient Dynamics of Sparsely Connected Hopfield Neural Networks with Arbitrary Degree Distributions

Using probabilistic approach, the transient dynamics of sparsely connected Hopfield neural networks is studied for arbitrary degree distributions. A recursive scheme is developed to determine the time evolution of overlap parameters. As illustrative examples, the explicit calculations of dynamics for networks with binomial, power-law, and uniform degree distribution are performed. The results are good agreement with the extensive numerical simulations. It indicates that with the same average degree, there is a gradual improvement of network performance with increasing sharpness of its degree distribution, and the most efficient degree distribution for global storage of patterns is the delta function.

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