arXiv subjects

Jiyuan Yang

Publications and source records attributed to Jiyuan Yang.

At least 19 recordsLinked to original sources

arXiv2026

Skyrmion nucleus resolves the Landauer paradox

Ferroelectric switching is among the most fundamental and widely studied symmetry-breaking processes in physics. However, the Landauer paradox asserts that an ideal single-domain ferroelectric should be kinetically unswitchable, because a three-dimensional reversed nucleus would carry a prohibitive depolarization penalty, leading to unphysically large coercive field (the electric field required to switch the polarization). Here we show that this long-standing paradox is resolved by topology. In defect-free PbTiO3, large-scale molecular dynamics simulations reveal that the intrinsic critical nucleus is a three-dimensional polar skyrmion. Its continuous polarization rotation and N\'eel-type boundary walls self-compensate bound charge, suppressing the depolarization energy by orders of magnitude and bringing the predicted coercive field into agreement with experiment. This topological nucleus further overturns the 60-year-old Janovec-Kay-Dunn law. We derive an analytical thickness-dependent coercive-field law governed by field-induced softening of the parent ferroelectric state and controlled by a single material descriptor. This framework captures diverse experimental trends across ferroelectric families and recasts the Kay-Dunn exponent of -2/3 as an effective finite-window behavior. These results establish polar topology as an organizing principle for intrinsic switching and suggest that hidden topological transition states may broadly shape nonequilibrium phase transformations traditionally understood as Landau-type symmetry breaking.

cond-mat.mtrl-sci↗

arXiv2026

Do Generative Recommenders Deepen the Information Cocoon? A Closed-Loop Simulation with LLM-powered User Simulators

Recommender systems alleviate information overload, yet repeated feedback between recommendations and user interactions can reinforce existing preferences and narrow users' exposure, forming information cocoons. While this phenomenon has been widely studied in traditional sequential recommendation, its impact on generative recommendation remains unclear. By replacing atomic item IDs with Semantic ID (SID) sequences, generative recommenders introduce a different recommendation mechanism whose role in information cocoon formation is not yet understood. To investigate whether generative recommenders deepen information cocoons, we propose \textsc{RecLoop}, a closed-loop simulation framework with LLM-driven user agents. We compare two generative recommenders and two traditional sequential baselines on two Amazon datasets across multiple feedback cycles. In addition to standard exposure-level metrics, we introduce \emph{Code-Space Structural Cocoon}, a model-level metric that measures concentration in the generated SID space. Experimental results show that generative recommenders are generally less prone to exposure-level cocoon formation than traditional baselines, preserving broader exposure diversity and slowing cross-user homogenization. However, feedback loops can still induce concentration within the generated SID space. We further find that cocoon severity depends strongly on tokenization strategy and model scale: collaborative-signal tokenization produces stronger cocoon effects than semantic tokenization, whereas larger models maintain greater code-space diversity and better retain access to niche content. These findings suggest that information cocoons in generative recommendation are shaped not only by recommendation behavior, but also by item tokenization and model capacity. Our code is available at https://github.com/Dregen-Yor/RecLoop.

cs.IR↗

arXiv2026

Unlocking Static Polarization and Strain Density Waves in Perovskites by Softening a Hidden Antiferrodistortive Tilt Gradient Mode

Spin density waves (SDWs) represent a fundamental paradigm of spatially modulated order in condensed matter systems, yet their electrical and mechanical analogues polarization and strain density waves (PDWs and StDWs) have remained elusive as equilibrium phases. Here, we introduce a general, symmetry-driven strategy to unlock static PDWs and StDWs in perovskites SrTiO3 and SrMnO3. Using first-principles calculations, we uncover a previously overlooked soft antiferrodistortive tilt gradient mode at small-q wavevector in the phonon dispersion of their presumed Ima2 ground state under moderate tensile strain. Group-theory analysis reveals that a hard polaracoustic phonon, which intrinsically carries PDWs and StDWs, is improperly destabilized by a trilinear coupling with this modulated tilt mode and an inherently uniform tilt mode. This interaction drives a structural transition from the Ima2 phase to a novel lower-energy Pmn21 phase that hosts long-range-ordered PDWs and StDWs. Strikingly, the engineered StDWs in SrMnO3 activate an electrically tunable SDW via the flexomagnetic effect. These discoveries fundamentally revise the strain-phase diagrams of prototypical perovskites and establish a unified phonon-engineering framework that links modulated phonon instabilities to targeted density-wave order, offering new pathways for designing advanced electromechanical and magnetoelectric functionalities.

cond-mat.mtrl-sci↗

arXiv2025

Reasoning Guided Embeddings: Leveraging MLLM Reasoning for Improved Multimodal Retrieval

Multimodal embeddings are widely used in downstream tasks such as multimodal retrieval, enabling alignment of interleaved modalities in a shared representation space. While recent studies show that Multimodal Large Language Models (MLLMs) can serve as strong embedding extractors, existing approaches treat embedding extraction as a direct encoding step, overlooking the fact that MLLMs possess the generative capability for reasoning that could be leveraged to enhance representation quality. In this work, we explore how to explicitly incorporate reasoning into the embedding process. To this end, we propose Reasoning Guided Embeddings (RGE), which preserves the generative rationale process of MLLMs and couples it with contrastive training. Our method first enables the model to perform structured rationale generation conditioned on the instruction, and then extracts representations after reasoning has unfolded. This simple design enhances the context-conditional inference signals within the embedding, leading to improved multimodal representation quality. Experiments on the MMEB benchmark show that reasoning-guided conditioning improves multimodal retrieval performance by 4.9% over the non-reasoning baseline, confirming that explicit reasoning can effectively enhance embedding quality.

cs.CV↗

arXiv2025

Are Foundational Atomistic Models Reliable for Finite-Temperature Molecular Dynamics?

Machine learning force fields have emerged as promising tools for molecular dynamics (MD) simulations, potentially offering quantum-mechanical accuracy with the efficiency of classical MD. Inspired by foundational large language models, recent years have seen considerable progress in developing foundational atomistic models, sometimes referred to as universal force fields, designed to cover most elements in the periodic table. This Perspective adopts a practitioner's viewpoint to ask a critical question: Are these foundational atomistic models reliable for one of their most compelling applications, in particular simulating finite-temperature dynamics? Instead of a broad benchmark, we use the canonical ferroelectric-paraelectric phase transition in PbTiO$_3$ as a focused case study to evaluate prominent foundational atomistic models. Our findings suggest a potential disconnect between static accuracy and dynamic reliability. While 0 K properties are often well-reproduced, we observed that the models can struggle to consistently capture the correct phase transition, sometimes exhibiting simulation instabilities. We believe these challenges may stem from inherent biases in training data and a limited description of anharmonicity. These observed shortcomings, though demonstrated on a single system, appear to point to broader, systemic challenges that can be addressed with targeted fine-tuning. This Perspective serves not to rank models, but to initiate a crucial discussion on the practical readiness of foundational atomistic models and to explore future directions for their improvement.

physics.comp-ph↗

arXiv2025

Enhancing ferroelectric stability: Wide-range of adaptive control in epitaxial HfO2/ZrO2 superlattices

The metastability of the polar phase in HfO2, despite its excellent compatibility with the complementary metal-oxide-semiconductor process, remains a key obstacle for its industrial applications. Traditional stabilization approaches, such as doping, often induce crystal defects and impose constraints on the thickness of ferroelectric HfO2 thin films. These limitations render the ferroelectric properties vulnerable to degradation, particularly due to phase transitions under operational conditions. Here, we demonstrate robust ferroelectricity in high-quality epitaxial (HfO2)n/(ZrO2)n superlattices, which exhibit significantly enhanced ferroelectric stability across an extended thickness range. Optimized-period superlattices maintain stable ferroelectricity from up to 100 nm, excellent fatigue resistance exceeding 109 switching cycles, and a low coercive field of ~0.85 MV/cm. First-principles calculations reveal that the kinetic energy barrier of phase transition and interfacial formation energy are crucial factors in suppressing the formation of non-polar phases. This work establishes a versatile platform for exploring high-performance fluorite-structured superlattices and advances the integration of HfO2-based ferroelectrics into a broader range of applications.

cond-mat.mtrl-sci↗

arXiv2025

Transmission Line Defect Detection Based on UAV Patrol Images and Vision-language Pretraining

Unmanned aerial vehicle (UAV) patrol inspection has emerged as a predominant approach in transmission line monitoring owing to its cost-effectiveness. Detecting defects in transmission lines is a critical task during UAV patrol inspection. However, due to imaging distance and shooting angles, UAV patrol images often suffer from insufficient defect-related visual information, which has an adverse effect on detection accuracy. In this article, we propose a novel method for detecting defects in UAV patrol images, which is based on vision-language pretraining for transmission line (VLP-TL) and a progressive transfer strategy (PTS). Specifically, VLP-TL contains two novel pretraining tasks tailored for the transmission line scenario, aimimg at pretraining an image encoder with abundant knowledge acquired from both visual and linguistic information. Transferring the pretrained image encoder to the defect detector as its backbone can effectively alleviate the insufficient visual information problem. In addition, the PTS further improves transfer performance by progressively bridging the gap between pretraining and downstream defection detection. Experimental results demonstrate that the proposed method significantly improves defect detection accuracy by jointly utilizing multimodal information, overcoming the limitations of insufficient defect-related visual information provided by UAV patrol images.

cs.CV↗

arXiv2025

Massive MIMO-OFDM Channel Acquisition with Time-Frequency Phase-Shifted Pilots

In this paper, we propose a channel acquisition approach with time-frequency phase-shifted pilots (TFPSPs) for massive multi-input multi-output orthogonal frequency division multiplexing (MIMO-OFDM) systems. We first present a triple-beam (TB) based channel tensor model, allowing for the representation of the space-frequency-time (SFT) domain channel as the product of beam matrices and the TB domain channel tensor. By leveraging the specific characteristics of TB domain channels, we develop TFPSPs, where distinct pilot signals are simultaneously transmitted in the frequency and time domains. Then, we present the optimal TFPSP design and provide the corresponding pilot scheduling algorithm. Further, we propose a tensor-based information geometry approach (IGA) to estimate the TB domain channel tensors. Leveraging the specific structure of beam matrices and the properties of TFPSPs, we propose a low-complexity implementation of the tensor-based IGA. We validate the efficiency of our proposed channel acquisition approach through extensive simulations. Simulation results demonstrate the superior performance of our approach. The proposed approach can effectively suppress inter-UT interference with low complexity and limited pilot overhead, thereby enhancing channel estimation performance. Particularly in scenarios with a large number of UTs, the channel acquisition method outperforms existing approaches by reducing the normalized mean square error (NMSE) by more than 8 dB.

cs.IT↗

arXiv2025

Improving Sequential Recommenders through Counterfactual Augmentation of System Exposure

In sequential recommendation (SR), system exposure refers to items that are exposed to the user. Typically, only a few of the exposed items would be interacted with by the user. Although SR has achieved great success in predicting future user interests, existing SR methods still fail to fully exploit system exposure data. Most methods only model items that have been interacted with, while the large volume of exposed but non-interacted items is overlooked. Even methods that consider the whole system exposure typically train the recommender using only the logged historical system exposure, without exploring unseen user interests. In this paper, we propose counterfactual augmentation over system exposure for sequential recommendation (CaseRec). To better model historical system exposure, CaseRec introduces reinforcement learning to account for different exposure rewards. CaseRec uses a decision transformer-based sequential model to take an exposure sequence as input and assigns different rewards according to the user feedback. To further explore unseen user interests, CaseRec proposes to perform counterfactual augmentation, where exposed original items are replaced with counterfactual items. Then, a transformer-based user simulator is proposed to predict the user feedback reward for the augmented items. Augmentation, together with the user simulator, constructs counterfactual exposure sequences to uncover new user interests. Finally, CaseRec jointly uses the logged exposure sequences with the counterfactual exposure sequences to train a decision transformer-based sequential model for generating recommendation. Experiments on three real-world benchmarks show the effectiveness of CaseRec. Our code is available at https://github.com/ZiqiZhao1/CaseRec.

cs.IR↗

arXiv2025

Constrained Auto-Regressive Decoding Constrains Generative Retrieval

Generative retrieval seeks to replace traditional search index data structures with a single large-scale neural network, offering the potential for improved efficiency and seamless integration with generative large language models. As an end-to-end paradigm, generative retrieval adopts a learned differentiable search index to conduct retrieval by directly generating document identifiers through corpus-specific constrained decoding. The generalization capabilities of generative retrieval on out-of-distribution corpora have gathered significant attention. In this paper, we examine the inherent limitations of constrained auto-regressive generation from two essential perspectives: constraints and beam search. We begin with the Bayes-optimal setting where the generative retrieval model exactly captures the underlying relevance distribution of all possible documents. Then we apply the model to specific corpora by simply adding corpus-specific constraints. Our main findings are two-fold: (i) For the effect of constraints, we derive a lower bound of the error, in terms of the KL divergence between the ground-truth and the model-predicted step-wise marginal distributions. (ii) For the beam search algorithm used during generation, we reveal that the usage of marginal distributions may not be an ideal approach. This paper aims to improve our theoretical understanding of the generalization capabilities of the auto-regressive decoding retrieval paradigm, laying a foundation for its limitations and inspiring future advancements toward more robust and generalizable generative retrieval.

cs.IR↗

arXiv2025

Theoretical lower limit of coercive field in ferroelectric hafnia

The high coercive field ($E_c$) of hafnia-based ferroelectrics presents a major obstacle to their applications. The ferroelectric switching mechanisms in hafnia that dictate $E_c$, especially those related to domain nucleation in the Nucleation-Limited-Switching (NLS) model and domain wall motion in the Kolmogorov-Avrami-Ishibas (KAI) model, have remained elusive. We develop a deep-learning-assisted multiscale approach, incorporating atomistic insights into the critical nucleus, to predict both NLS- and KAI-type coercive fields. The theoretical NLS-type $E_c$ values agree with previous experimental results as well as our own measurements and also exhibit the correct thickness scaling for films between 3 and 20 nm. Combined theoretical and experimental investigations reveal that the giant $E_c$ in hafnia-based ferroelectrics arises from the ultra-thin geometry, which confines switching to the NLS mechanism. We predict that the theoretical lower limit for KAI-type $E_c$ is 0.1 MV/cm arsing from mobile domain walls. The activation of KAI-type switching to achieve lower $E_c$ is supported by our experimental demonstration of a low coercive field of 1 MV/cm in a 60 nm ferroelectric (HfO$_2$)$_n$/(ZrO$_2$)$_n$ ($n=3$ unit cells) superlattices. These findings establish a comprehensive framework for understanding ferroelectric switching in hafnia and highlight the potential of geometry and domain-wall engineering to achieve low-$E_c$ devices.

cond-mat.mtrl-sci↗

arXiv2025

Topological phase transitions in perovskite superlattices driven by temperature, electric field, and doping

Many dipolar topological structures have been experimentally demonstrated in (PbTiO$_3$)$_n$/(SrTiO$_3$)$_n$ superlattices, such as flux-closure, vortice, and skyrmion. In this work, we employ deep potential molecular dynamics (MD) to investigate the dynamical response of the (PbTiO$_3$)$_{10}$/(SrTiO$_3$)$_{10}$ superlattice, supporting polar vortex arrays, to temperature and electric field at the atomic level. Our simulations reveal a unique phase transition sequence from ferroelectric-like to antiferroelectric-like to paraelectric in the in-plane direction as temperature increases. In the ferroelectric-like state, we observe field-driven reversible switching of in-plane polarization coupled with out-of-plane movements of vortex cores during MD simulations. In the antiferroelectric-like region, the polarization-electric field hysteresis loop exhibits a superparaelectric feature, showing nearly no loss. This behavior is attributed to a strong recovering force to form polar vortex arrays, dictated by the electrical and mechanical boundary conditions within the superlattice. The (PbTiO$_3$)$_{10}$/(SrTiO$_3$)$_{10}$ superlattice in the antiferroelectric-like state also demonstrates large in-plane susceptibility and tunability. The effect of Pb doping in the SrTiO$_3$ layer on the topological structural transition in the superlattice is investigated. The weakened depolarization field in the PbTiO$_3$ layers leads to new dipolar configurations, such as enlarged skyrmion bubble within $c$ domains in (PbTiO$_3$)$_{10}$/(Pb$_{0.4}$Sr$_{0.6}$TiO$_3$)$_{10}$, and we quantify their thermal and electrical responses through MD simulations. These quantitative atomistic insights will be useful for the controlled optimization of perovskite superlattices for various device applications.

cond-mat.mtrl-sci↗

arXiv2024

Simplified Information Geometry Approach for Massive MIMO-OFDM Channel Estimation -- Part II: Convergence Analysis

In Part II of this two-part paper, we prove the convergence of the simplified information geometry approach (SIGA) proposed in Part I. For a general Bayesian inference problem, we first show that the iteration of the common second-order natural parameter (SONP) is separated from that of the common first-order natural parameter (FONP). Hence, the convergence of the common SONP can be checked independently. We show that with the initialization satisfying a specific but large range, the common SONP is convergent regardless of the value of the damping factor. For the common FONP, we establish a sufficient condition of its convergence and prove that the convergence of the common FONP relies on the spectral radius of a particular matrix related to the damping factor. We give the range of the damping factor that guarantees the convergence in the worst case. Further, we determine the range of the damping factor for massive MIMO-OFDM channel estimation by using the specific properties of the measurement matrices. Simulation results are provided to confirm the theoretical results.

cs.IT↗

arXiv2024

Content-Based Collaborative Generation for Recommender Systems

Generative models have emerged as a promising utility to enhance recommender systems. It is essential to model both item content and user-item collaborative interactions in a unified generative framework for better recommendation. Although some existing large language model (LLM)-based methods contribute to fusing content information and collaborative signals, they fundamentally rely on textual language generation, which is not fully aligned with the recommendation task. How to integrate content knowledge and collaborative interaction signals in a generative framework tailored for item recommendation is still an open research challenge. In this paper, we propose content-based collaborative generation for recommender systems, namely ColaRec. ColaRec is a sequence-to-sequence framework which is tailored for directly generating the recommended item identifier. Precisely, the input sequence comprises data pertaining to the user's interacted items, and the output sequence represents the generative identifier (GID) for the suggested item. To model collaborative signals, the GIDs are constructed from a pretrained collaborative filtering model, and the user is represented as the content aggregation of interacted items. To this end, ColaRec captures both collaborative signals and content information in a unified framework. Then an item indexing task is proposed to conduct the alignment between the content-based semantic space and the interaction-based collaborative space. Besides, a contrastive loss is further introduced to ensure that items with similar collaborative GIDs have similar content representations. To verify the effectiveness of ColaRec, we conduct experiments on four benchmark datasets. Empirical results demonstrate the superior performance of ColaRec.

cs.IR↗

arXiv2024

Group Information Geometry Approach for Ultra-Massive MIMO Signal Detection

We propose a group information geometry approach (GIGA) for ultra-massive multiple-input multiple-output (MIMO) signal detection. The signal detection task is framed as computing the approximate marginals of the a posteriori distribution of the transmitted data symbols of all users. With the approximate marginals, we perform the maximization of the {\textsl{a posteriori}} marginals (MPM) detection to recover the symbol of each user. Based on the information geometry theory and the grouping of the components of the received signal, three types of manifolds are constructed and the approximate a posteriori marginals are obtained through m-projections. The Berry-Esseen theorem is introduced to offer an approximate calculation of the m-projection, while its direct calculation is exponentially complex. In most cases, more groups, less complexity of GIGA. However, when the number of groups exceeds a certain threshold, the complexity of GIGA starts to increase. Simulation results confirm that the proposed GIGA achieves better bit error rate (BER) performance within a small number of iterations, which demonstrates that it can serve as an efficient detection method in ultra-massive MIMO systems.

cs.IT↗

arXiv2024

DPA-2: a large atomic model as a multi-task learner

The rapid advancements in artificial intelligence (AI) are catalyzing transformative changes in atomic modeling, simulation, and design. AI-driven potential energy models have demonstrated the capability to conduct large-scale, long-duration simulations with the accuracy of ab initio electronic structure methods. However, the model generation process remains a bottleneck for large-scale applications. We propose a shift towards a model-centric ecosystem, wherein a large atomic model (LAM), pre-trained across multiple disciplines, can be efficiently fine-tuned and distilled for various downstream tasks, thereby establishing a new framework for molecular modeling. In this study, we introduce the DPA-2 architecture as a prototype for LAMs. Pre-trained on a diverse array of chemical and materials systems using a multi-task approach, DPA-2 demonstrates superior generalization capabilities across multiple downstream tasks compared to the traditional single-task pre-training and fine-tuning methodologies. Our approach sets the stage for the development and broad application of LAMs in molecular and materials simulation research.

physics.chem-ph↗

arXiv2024

An Information Geometry Interpretation for Approximate Message Passing

In this paper, we propose an information geometry (IG) framework to solve the standard linear regression problem. The proposed framework is an extension of the one for computing the mean of complex multivariate Gaussian distribution. By applying the proposed framework, the information geometry approach (IGA) and the approximate information geometry approach (AIGA) for basis pursuit de-noising (BPDN) in standard linear regression are derived. The framework can also be applied to other standard linear regression problems. With the transformations of natural and expectation parameters of Gaussian distributions, we then show the relationship between the IGA and the message passing (MP) algorithm. Finally, we prove that the AIGA is equivalent to the approximate message passing (AMP) algorithm. These intrinsic results offer a new perspective for the AMP algorithm, and clues for understanding and improving stochastic reasoning methods.

cs.IT↗

arXiv2024

Giant piezoelectric effects of topological structures in stretched ferroelectric membranes

Freestanding ferroelectric oxide membranes emerge as a promising platform for exploring the interplay between topological polar ordering and dipolar interactions that are continuously tunable by strain. Our investigations combining density functional theory (DFT) and deep-learning-assisted molecular dynamics simulations demonstrate that DFT-predicted strain-driven morphotropic phase boundary involving monoclinic phases manifest as diverse domain structures at room temperatures, featuring continuous distributions of dipole orientations and mobile domain walls. Detailed analysis of dynamic structures reveals that the enhanced piezoelectric response observed in stretched PbTiO$_3$ membranes results from small-angle rotations of dipoles at domain walls, distinct from conventional polarization rotation mechanism and adaptive phase theory inferred from static structures. We identify a ferroelectric topological structure, termed "dipole spiral," which exhibits a giant intrinsic piezoelectric response ($>$320 pC/N). This helical structure, possessing a rotational zero-energy mode, unlocks new possibilities for exploring chiral phonon dynamics and dipolar Dzyaloshinskii-Moriya-like interactions.

cond-mat.mtrl-sci↗