arXiv subjects

Liang Xiong

Publications and source records attributed to Liang Xiong.

At least 19 recordsLinked to original sources

arXiv2026

Surface code logical operations on a superconducting quantum processor

Fault-tolerant quantum computation requires logical operations that manipulate encoded information while preserving quantum error-correction protection. In planar surface-code architectures, code deformation and lattice surgery provide a local, measurement-based route to such operations. Here we experimentally realize key elements of patch-based surface-code logical processing on a 107-qubit superconducting quantum processor. We first implement a reusable primitive layer comprising merge and split, patch expansion and shrinkage, and deformations mediated by domain walls and twist defects. We then compose these primitives to realize logical state routing, the logical controlled-NOT gate, and the single-qubit Hadamard and phase gates, which together form a Clifford-generating set. All operations are implemented on distance-three rotated surface-code patches with multi-round syndrome extraction and neural-network decoding, without post-selection. Our results advance superconducting surface-code experiments from protected logical memory to active, patch-based fault-tolerant logical operations.

quant-ph↗

arXiv2026

Scaffold-Conditioned Preference Triplets for Controllable Molecular Optimization with Large Language Models

Molecular property optimization is central to drug discovery, yet many deep learning methods rely on black-box scoring and offer limited control over scaffold preservation, often producing unstable or biologically implausible edits. While large language models (LLMs) are promising molecular generators, optimization remains constrained by the lack of chemistry-grounded preference supervision and principled data curation. We introduce \textbf{Scaffold-Conditioned Preference Triplets (SCPT)}, a pipeline that constructs similarity-constrained triplets $\langle\text{scaffold}, \text{better}, \text{worse}\rangle$ via scaffold alignment and chemistry-driven filters for validity, synthesizability, and meaningful property gains. Using these preferences, we align a pretrained molecular LLM as a conditional editor, enabling property-improving edits that retain the scaffold. Across single- and multi-objective benchmarks, SCPT improves optimization success and property gains while maintaining higher scaffold similarity than competitive baselines. Compared with representative non-LLM molecular optimization methods, SCPT-trained LLMs are better suited to scaffold-constrained and multi-objective optimization. In addition, models trained on single-property and two-property supervision generalize effectively to three-property tasks, indicating promising extrapolative generalization under limited higher-order supervision. SCPT also provides controllable data-construction knobs that yield a predictable similarity-gain frontier, enabling systematic adaptation to diverse optimization regimes.

cs.LG↗

arXiv2026

Data-driven active learning approaches for accelerating materials discovery

Materials discovery is a cornerstone of modern technological advancement, yet it remains constrained by traditional trial-and-error paradigms and the inherent bias of human intuition. Artificial intelligence (AI) has emerged as a transformative tool in materials science by effectively modeling structure-property relationships. Despite substantial efforts to enhance model expressiveness, data efficiency remains an equally critical challenge, given the limited availability of experimental and computational resources. Active learning (AL), as a data-driven machine learning paradigm, has shown great promise for discovering novel materials and enabling the efficient navigation of vast materials spaces. In this review, we follow the evolution of sampling strategy design techniques in AL, from Bayesian optimization to advanced deep learning-based strategies. We then highlight how AL enhances data efficiency across various data regimes, ranging from task-specific settings with limited data to the development of general-purpose datasets and large-scale models. We further provide a systematic overview of AL applications throughout the materials research pipeline, including computational simulation, composition and structural design, process optimization, and self-driving laboratory systems. Finally, we pinpoint key challenges and future perspectives of AL in materials discovery.

cond-mat.mtrl-sci↗

arXiv2025

Lunar Orbital VLBI Experiment: motivation, scientific purposes and status

The Lunar Orbital VLBI Experiment (LOVEX) is a scientific component of the Chinese Lunar Exploration Project (CLEP) Chang'E-7. The spaceborne component of LOVEX is implemented onboard the relay satellite QueQiao-2, which was launched on 2024 March 20, and later placed into an elliptical selenocentric orbit. The LOVEX-specific payload consists of an X-band cryogenic receiver, a hydrogen maser frequency standard, and VLBI data formatting and acquisition electronics. Several components of the QueQiao-2 nominal onboard instrumentation, such as the 4.2-meter antenna, the data storage device, and the downlink communication system, contribute to the overall spaceborne VLBI instrumentation. This allows us to form a space radio telescope capable of co-observing with Earth-based radio telescopes in VLBI mode. In this space VLBI system, the length of the baseline extends up to approximately 380,000 km. This paper presents the LOVEX scientific objectives, architecture, instrumentation, pre-launch tests, in-flight verification and calibration, and the first in-flight detections of interferometric response (''fringes'') achieved through observations of the quasar AO 0235+164 and the Chang'E-6 orbital module, positioned at the Sun-Earth Lagrange point L2. These initial results demonstrate the successful performance of LOVEX, verifying its capability for both astronomical and spacecraft tracking observations at ultra-long VLBI baselines.

astro-ph.IM↗

arXiv2025

Characterizing High Schmidt Number Witnesses in Arbitrary Dimensions System

A profound comprehension of quantum entanglement is crucial for the progression of quantum technologies. The degree of entanglement can be assessed by enumerating the entangled degrees of freedom, leading to the determination of a parameter known as the Schmidt number. In this paper, we develop an efficient analytical tool for characterizing high Schmidt number witnesses for bipartite quantum states in arbitrary dimensions. Our methods not only offer viable mathematical methods for constructing high-dimensional Schmidt number witnesses in theory but also simplify the quantification of entanglement and dimensionality. Most notably, we develop high-dimensional Schmidt number witnesses within arbitrary-dimensional systems, with our Schmidt witness coefficients relying solely on the operator Schmidt coefficient. Subsequently, we demonstrate our theoretical advancements and computational superiority by constructing Schmidt number witnesses in arbitrary dimensional bipartite quantum systems with Schmidt numbers four and five.

quant-ph↗

arXiv2024

The Role of Tensor-Generated Matrices in Analyzing Spin State Classicality and Tensor H-Eigenvalue Distributions

Multipartite quantum scenarios are a significant and challenging resource in quantum information science. Tensors provide a powerful framework for representing multipartite quantum systems. In this work, we introduce the role of tensor-generated matrices that can broadly be defined as the relationships between an $m$-th order $n$-dimensional tensor and an $n$-dimensional square matrix. Through these established connections, we demonstrate that the classification of the tensor-generated matrix as an $H$-matrix implies the original tensor is also an $H$-tensor. We also explore various similar properties exhibited by both the original tensor and the tensor-generated matrix, including weak irreducibility, weakly chained diagonal dominance, and (strong) symmetry. These findings provide a method to transform intricate tensor problems into matrices in specific contexts, which is especially pertinent due to the NP-hard complexity of the majority of tensor problems. Subsequently, we explore the application of tensor-generated matrices in analyzing the classicality of spin states. Leveraging the tensor representation, we introduce classicality criteria for (strongly) symmetric spin-$j$ states, which potentially provide fresh perspectives on the study of multipartite quantum resources. Finally, we extend classical matrix eigenvalue inclusion sets to higher-order tensor $H$-eigenvalues, a task that is typically challenging for higher-order tensors. Consequently, we propose representative tensor $H$-eigenvalue inclusion sets, such as modified Brauer's Ovals of Cassini sets, Ostrowski sets, and $S$-type inclusion sets.

math.NA↗

arXiv2024

Towards Automated Model Design on Recommender Systems

The increasing popularity of deep learning models has created new opportunities for developing AI-based recommender systems. Designing recommender systems using deep neural networks requires careful architecture design, and further optimization demands extensive co-design efforts on jointly optimizing model architecture and hardware. Design automation, such as Automated Machine Learning (AutoML), is necessary to fully exploit the potential of recommender model design, including model choices and model-hardware co-design strategies. We introduce a novel paradigm that utilizes weight sharing to explore abundant solution spaces. Our paradigm creates a large supernet to search for optimal architectures and co-design strategies to address the challenges of data multi-modality and heterogeneity in the recommendation domain. From a model perspective, the supernet includes a variety of operators, dense connectivity, and dimension search options. From a co-design perspective, it encompasses versatile Processing-In-Memory (PIM) configurations to produce hardware-efficient models. Our solution space's scale, heterogeneity, and complexity pose several challenges, which we address by proposing various techniques for training and evaluating the supernet. Our crafted models show promising results on three Click-Through Rates (CTR) prediction benchmarks, outperforming both manually designed and AutoML-crafted models with state-of-the-art performance when focusing solely on architecture search. From a co-design perspective, we achieve 2x FLOPs efficiency, 1.8x energy efficiency, and 1.5x performance improvements in recommender models.

cs.IR↗

arXiv2024

Criteria of absolutely separability from spectrum for qudit-qudits states

Separability from the spectrum is a significant and ongoing research topic in quantum entanglement. In this study, we investigate properties related to absolute separability from the spectrum in qudits-qudits states in the bipartite states space $\mathcal{H}_{mn}=\mathcal{H}_m \otimes \mathcal{H}_n$. Firstly, we propose the necessary and sufficient conditions for absolute separable states in the Hilbert space $\mathcal{H}_{4n}$. These conditions are equivalent to the positive semidefiniteness of twelve matrices resulting from the symmetric matricizations of eigenvalues. Furthermore, we demonstrate that this sufficient condition can be extended to the general $\mathcal{H}_{mn}$ case, improving existing conclusions in the literature. These sufficient conditions depend only on the first few leading and last few leading eigenvalues, significantly reducing the complexity of determining absolute separable states. On the other hand, we also introduce additional sufficient conditions for determining that states in $\mathcal{H}_{mn}$ are not absolutely separable. These conditions only depend on $2m-1$ eigenvalues of the mixed states. Our sufficient conditions are not only simple and easy to implement. As applications, we derive distance bounds for eigenvalues and purity bounds for general absolutely separable states.

quant-ph↗

arXiv2023

Rankitect: Ranking Architecture Search Battling World-class Engineers at Meta Scale

Neural Architecture Search (NAS) has demonstrated its efficacy in computer vision and potential for ranking systems. However, prior work focused on academic problems, which are evaluated at small scale under well-controlled fixed baselines. In industry system, such as ranking system in Meta, it is unclear whether NAS algorithms from the literature can outperform production baselines because of: (1) scale - Meta ranking systems serve billions of users, (2) strong baselines - the baselines are production models optimized by hundreds to thousands of world-class engineers for years since the rise of deep learning, (3) dynamic baselines - engineers may have established new and stronger baselines during NAS search, and (4) efficiency - the search pipeline must yield results quickly in alignment with the productionization life cycle. In this paper, we present Rankitect, a NAS software framework for ranking systems at Meta. Rankitect seeks to build brand new architectures by composing low level building blocks from scratch. Rankitect implements and improves state-of-the-art (SOTA) NAS methods for comprehensive and fair comparison under the same search space, including sampling-based NAS, one-shot NAS, and Differentiable NAS (DNAS). We evaluate Rankitect by comparing to multiple production ranking models at Meta. We find that Rankitect can discover new models from scratch achieving competitive tradeoff between Normalized Entropy loss and FLOPs. When utilizing search space designed by engineers, Rankitect can generate better models than engineers, achieving positive offline evaluation and online A/B test at Meta scale.

cs.LG↗

arXiv2023

NASRec: Weight Sharing Neural Architecture Search for Recommender Systems

The rise of deep neural networks offers new opportunities in optimizing recommender systems. However, optimizing recommender systems using deep neural networks requires delicate architecture fabrication. We propose NASRec, a paradigm that trains a single supernet and efficiently produces abundant models/sub-architectures by weight sharing. To overcome the data multi-modality and architecture heterogeneity challenges in the recommendation domain, NASRec establishes a large supernet (i.e., search space) to search the full architectures. The supernet incorporates versatile choice of operators and dense connectivity to minimize human efforts for finding priors. The scale and heterogeneity in NASRec impose several challenges, such as training inefficiency, operator-imbalance, and degraded rank correlation. We tackle these challenges by proposing single-operator any-connection sampling, operator-balancing interaction modules, and post-training fine-tuning. Our crafted models, NASRecNet, show promising results on three Click-Through Rates (CTR) prediction benchmarks, indicating that NASRec outperforms both manually designed models and existing NAS methods with state-of-the-art performance. Our work is publicly available at https://github.com/facebookresearch/NasRec.

cs.IR↗

arXiv2021

Efficient Dynamic Graph Representation Learning at Scale

Dynamic graphs with ordered sequences of events between nodes are prevalent in real-world industrial applications such as e-commerce and social platforms. However, representation learning for dynamic graphs has posed great computational challenges due to the time and structure dependency and irregular nature of the data, preventing such models from being deployed to real-world applications. To tackle this challenge, we propose an efficient algorithm, Efficient Dynamic Graph lEarning (EDGE), which selectively expresses certain temporal dependency via training loss to improve the parallelism in computations. We show that EDGE can scale to dynamic graphs with millions of nodes and hundreds of millions of temporal events and achieve new state-of-the-art (SOTA) performance.

cs.LG↗

arXiv2021

Exciton emissions in bilayer WSe2 tuned by the ferroelectric polymer

In this work, a hybrid integration of few-layer transition metal dichalcogenides (TMDCs) and ferroelectric polymer is designed to achieve passive control of optical properties in-situ. The electrical polarization in ferroelectric P(VDF-TrFE) polymer can regulate the photoluminescence (PL) in few-layer TMDCs. The total PL intensity is substantially suppressed or enhanced under opposite polarization in bilayer WSe2. This is because electrons transfer between valley K and Λ in the conduction band induced by the built-in electric field in P(VDF-TrFE) polymer. This charge transfer further changes the competing dynamics between direct and indirect exciton recombination path and overall optical radiation efficiency. We also illustrate that the engineered PL originates from external electric field dependent transferred electron effect. The theoretical result matches the experimental data well. This work demonstrates a device platform in which passive regulation is achieved using 2D TMDCs modulated by polarized ferroelectric materials.

physics.optics↗

arXiv2021

ShadowSync: Performing Synchronization in the Background for Highly Scalable Distributed Training

Recommendation systems are often trained with a tremendous amount of data, and distributed training is the workhorse to shorten the training time. While the training throughput can be increased by simply adding more workers, it is also increasingly challenging to preserve the model quality. In this paper, we present \shadowsync, a distributed framework specifically tailored to modern scale recommendation system training. In contrast to previous works where synchronization happens as part of the training process, \shadowsync separates the synchronization from training and runs it in the background. Such isolation significantly reduces the synchronization overhead and increases the synchronization frequency, so that we are able to obtain both high throughput and excellent model quality when training at scale. The superiority of our procedure is confirmed by experiments on training deep neural networks for click-through-rate prediction tasks. Our framework is capable to express data parallelism and/or model parallelism, generic to host various types of synchronization algorithms, and readily applicable to large scale problems in other areas.

cs.LG↗

arXiv2021

Kernels on Sample Sets via Nonparametric Divergence Estimates

Most machine learning algorithms, such as classification or regression, treat the individual data point as the object of interest. Here we consider extending machine learning algorithms to operate on groups of data points. We suggest treating a group of data points as an i.i.d. sample set from an underlying feature distribution for that group. Our approach employs kernel machines with a kernel on i.i.d. sample sets of vectors. We define certain kernel functions on pairs of distributions, and then use a nonparametric estimator to consistently estimate those functions based on sample sets. The projection of the estimated Gram matrix to the cone of symmetric positive semi-definite matrices enables us to use kernel machines for classification, regression, anomaly detection, and low-dimensional embedding in the space of distributions. We present several numerical experiments both on real and simulated datasets to demonstrate the advantages of our new approach.

cs.LG↗

arXiv2020

Time-based Sequence Model for Personalization and Recommendation Systems

In this paper we develop a novel recommendation model that explicitly incorporates time information. The model relies on an embedding layer and TSL attention-like mechanism with inner products in different vector spaces, that can be thought of as a modification of multi-headed attention. This mechanism allows the model to efficiently treat sequences of user behavior of different length. We study the properties of our state-of-the-art model on statistically designed data set. Also, we show that it outperforms more complex models with longer sequence length on the Taobao User Behavior dataset.

cs.IR↗

arXiv2020

The Architectural Implications of Facebook's DNN-based Personalized Recommendation

The widespread application of deep learning has changed the landscape of computation in the data center. In particular, personalized recommendation for content ranking is now largely accomplished leveraging deep neural networks. However, despite the importance of these models and the amount of compute cycles they consume, relatively little research attention has been devoted to systems for recommendation. To facilitate research and to advance the understanding of these workloads, this paper presents a set of real-world, production-scale DNNs for personalized recommendation coupled with relevant performance metrics for evaluation. In addition to releasing a set of open-source workloads, we conduct in-depth analysis that underpins future system design and optimization for at-scale recommendation: Inference latency varies by 60% across three Intel server generations, batching and co-location of inferences can drastically improve latency-bounded throughput, and the diverse composition of recommendation models leads to different optimization strategies.

cs.DC↗

arXiv2019

Deep Learning Recommendation Model for Personalization and Recommendation Systems

With the advent of deep learning, neural network-based recommendation models have emerged as an important tool for tackling personalization and recommendation tasks. These networks differ significantly from other deep learning networks due to their need to handle categorical features and are not well studied or understood. In this paper, we develop a state-of-the-art deep learning recommendation model (DLRM) and provide its implementation in both PyTorch and Caffe2 frameworks. In addition, we design a specialized parallelization scheme utilizing model parallelism on the embedding tables to mitigate memory constraints while exploiting data parallelism to scale-out compute from the fully-connected layers. We compare DLRM against existing recommendation models and characterize its performance on the Big Basin AI platform, demonstrating its usefulness as a benchmark for future algorithmic experimentation and system co-design.

cs.IR↗

arXiv2012

Nonparametric Divergence Estimation with Applications to Machine Learning on Distributions

Low-dimensional embedding, manifold learning, clustering, classification, and anomaly detection are among the most important problems in machine learning. The existing methods usually consider the case when each instance has a fixed, finite-dimensional feature representation. Here we consider a different setting. We assume that each instance corresponds to a continuous probability distribution. These distributions are unknown, but we are given some i.i.d. samples from each distribution. Our goal is to estimate the distances between these distributions and use these distances to perform low-dimensional embedding, clustering/classification, or anomaly detection for the distributions. We present estimation algorithms, describe how to apply them for machine learning tasks on distributions, and show empirical results on synthetic data, real word images, and astronomical data sets.

cs.LG↗