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Chunyu Li

Chunyu Li contributes to research discovery and scholarly infrastructure.

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Published work

9 published item(s)

preprint2026arXiv

MemReranker: Reasoning-Aware Reranking for Agent Memory Retrieval

In agent memory systems, the reranking model serves as the critical bridge connecting user queries with long-term memory. Most systems adopt the "retrieve-then-rerank" two-stage paradigm, but generic reranking models rely on semantic similarity matching and lack genuine reasoning capabilities, leading to a problem where recalled results are semantically highly relevant yet do not contain the key information needed to answer the question. This deficiency manifests in memory scenarios as three specific problems. First, relevance scores are miscalibrated, making threshold-based filtering difficult. Second, ranking degrades when facing temporal constraints, causal reasoning, and other complex queries. Third, the model cannot leverage dialogue context for semantic disambiguation. This report introduces MemReranker, a reranking model family (0.6B/4B) built on Qwen3-Reranker through multi-stage LLM knowledge distillation. Multi-teacher pairwise comparisons generate calibrated soft labels, BCE pointwise distillation establishes well-distributed scores, and InfoNCE contrastive learning enhances hard-sample discrimination. Training data combines general corpora with memory-specific multi-turn dialogue data covering temporal constraints, causal reasoning, and coreference resolution. On the memory retrieval benchmark, MemReranker-0.6B substantially outperforms BGE-Reranker and matches open-source 4B/8B models as well as GPT-4o-mini on key metrics. MemReranker-4B further achieves 0.737 MAP, with several metrics on par with Gemini-3-Flash, while maintaining inference latency at only 10--20% of large models. On finance and healthcare vertical-domain benchmarks, the models preserve generalization capabilities on par with mainstream large-parameter rerankers.

preprint2026arXiv

Multi-Fidelity Predictive Model for Shock Response of Energetic Materials Using Conditional U-Net

Mapping microstructure to properties is central to materials science. Perhaps most famously, the Hall-Petch relationship relates average grain size to strength. More challenging has been deriving relationships for properties that depend on subtle microstructural features and not average properties. One such example is the initiation of energetic materials under dynamical loading, dominated by energy localization on microstructural features such as pores, cracks, and interfaces. We propose a conditional convolutional neural network to predict the shock-induced temperature field as a function of shock strength, for a wide range of microstructures, and obtained via two different simulation methods. The proposed model, denoted MISTnet2, significantly extends prior work that was limited to a single shock strength, model, and type of microstructure. MISTnet2 can contribute to bridging atomistics with coarse-grain simulations and enable first principles predictions of detonation initiation and safety of this class of materials.

preprint2026arXiv

Physics-constrained Gaussian Processes for Predicting Shockwave Hugoniot Curves

A physics-constrained Gaussian Process regression framework is developed for predicting shocked material states along the Hugoniot curve using data from a small number of shockwave simulations. The proposed Gaussian process employs a probabilistic Taylor series expansion in conjunction with the Rankine-Hugoniot jump conditions between the various shocked material states to construct a thermodynamically consistent covariance function. This leads to the formulation of an optimization problem over a small number of interpretable hyperparameters and enables the identification of regime transitions, from a leading elastic wave to trailing plastic and phase transformation waves. This work is motivated by the need to investigate shock-driven material response for materials discovery and for offering mechanistic insights in regimes where experimental characterizations and simulations are costly. The proposed methodology relies on large-scale molecular dynamics which are an accurate but expensive computational alternative to experiments. Under these constraints, the proposed methodology establishes Hugoniot curves from a limited number of molecular dynamics simulations. We consider silicon carbide as a representative material and atomic-level simulations are performed using a reverse ballistic approach together with appropriate interatomic potentials. The framework reproduces the Hugoniot curve with satisfactory accuracy while also quantifying the uncertainty in the predictions using the Gaussian Process posterior.

preprint2026arXiv

Predictive models for strain energy in condensed phase reactions

Molecular modeling of thermally activated chemistry in condensed phases is essential to understand polymerization, depolymerization, and other processing steps of molecular materials. Current methods typically combine molecular dynamics (MD) simulations to describe short-time relaxation with a stochastic description of predetermined chemical reactions. Possible reactions are often selected on the basis of geometric criteria, such as a capture distance between reactive atoms. Although these simulations have provided valuable insight, the approximations used to determine possible reactions often lead to significant molecular strain and unrealistic structures. We show that the local molecular environment surrounding the reactive site plays a crucial role in determining the resulting molecular strain energy and, in turn, the associated reaction rates. We develop a graph neural network capable of predicting the strain energy associated with a cyclization reaction from the pre-reaction, local, molecular environment surrounding the reactive site. The model is trained on a large dataset of condensed-phase reactions during the activation of polyacrylonitrile (PAN) obtained from MD simulations and can be used to adjust relative reaction rates in condensed systems and advance our understanding of thermally activated chemical processes in complex materials

preprint2025arXiv

Decoupling perturbations from background in $f(Q)$ gravity: the square-root correction and the alleviation of the $σ_8$ tension

We investigate a perturbation-level modification of symmetric teleparallel gravity of the form $f(Q)=F(Q)+M\sqrt{Q}$ and assess its ability to ease the $σ_8$ tension. The square-root term leaves the background expansion unchanged while modifying the effective gravitational coupling, providing a pure decoupling between background cosmology and structure-growth evolution. Using the latest redshift-space distortion data, including DESI DR1 Full-Shape measurements, we constrain $M$ and $σ_8$ across three representative backgrounds: $Λ$CDM, an $H_0$-tension-reducing model, and a DESI-motivated dynamical dark energy scenario. In all cases, the square-root correction suppresses growth and can reconcile $σ_8$ with Planck at the $1σ$ level, with the strongest improvement occurring in the $H_0$-tension-oriented background. A residual degeneracy between $M$ and $σ_8$ remains, indicating that future multi-probe analyses combining lensing and full-shape clustering will be required to determine whether the $\sqrt{Q}$ term represents a genuine signal of modified gravity.

preprint2022arXiv

Deep Hyperspectral-Depth Reconstruction Using Single Color-Dot Projection

Depth reconstruction and hyperspectral reflectance reconstruction are two active research topics in computer vision and image processing. Conventionally, these two topics have been studied separately using independent imaging setups and there is no existing method which can acquire depth and spectral reflectance simultaneously in one shot without using special hardware. In this paper, we propose a novel single-shot hyperspectral-depth reconstruction method using an off-the-shelf RGB camera and projector. Our method is based on a single color-dot projection, which simultaneously acts as structured light for depth reconstruction and spatially-varying color illuminations for hyperspectral reflectance reconstruction. To jointly reconstruct the depth and the hyperspectral reflectance from a single color-dot image, we propose a novel end-to-end network architecture that effectively incorporates a geometric color-dot pattern loss and a photometric hyperspectral reflectance loss. Through the experiments, we demonstrate that our hyperspectral-depth reconstruction method outperforms the combination of an existing state-of-the-art single-shot hyperspectral reflectance reconstruction method and depth reconstruction method.

preprint2022arXiv

Information retrieval for label noise document ranking by bag sampling and group-wise loss

Long Document retrieval (DR) has always been a tremendous challenge for reading comprehension and information retrieval. The pre-training model has achieved good results in the retrieval stage and Ranking for long documents in recent years. However, there is still some crucial problem in long document ranking, such as data label noises, long document representations, negative data Unbalanced sampling, etc. To eliminate the noise of labeled data and to be able to sample the long documents in the search reasonably negatively, we propose the bag sampling method and the group-wise Localized Contrastive Estimation(LCE) method. We use the head middle tail passage for the long document to encode the long document, and in the retrieval, stage Use dense retrieval to generate the candidate's data. The retrieval data is divided into multiple bags at the ranking stage, and negative samples are selected in each bag. After sampling, two losses are combined. The first loss is LCE. To fit bag sampling well, after query and document are encoded, the global features of each group are extracted by convolutional layer and max-pooling to improve the model's resistance to the impact of labeling noise, finally, calculate the LCE group-wise loss. Notably, our model shows excellent performance on the MS MARCO Long document ranking leaderboard.

preprint2022arXiv

Systematic Builder for All-Atom Simulations of Plastically Bonded Explosives

The shock to detonation transition in heterogeneous plastically bonded explosives is dominated by energy localization into hotspots that arise from the interaction of the shockwave with microstructural features and defects. The complex polycrystalline structure of these materials leads to a network of hotspot that can coalesce into deflagration and detonation waves. Significant progress has been made on the formation and potency of hotspots using atomistic simulations, but most of the work has focused on ideal and isolated defects. Hence, developed a method, denoted PBXGen, to build realistic PBX microstructures for all-atom simulations. PBXGen is generally applicable, and we demonstrate it with two systems: an RDX-polystyrene PBX with a 3D microstructure and a TATB-polystyrene with columnar grains. The resulting structure exhibit key features of PBXs, albeit at smaller scales, and are validated against experimental mechanical and shock properties.

preprint2022arXiv

Topological Transformation and Free-Space Transport of Photonic Hopfions

Structured light fields embody strong spatial variations of polarisation, phase and amplitude. Understanding, characterization and exploitation of such fields can be achieved through their topological properties. Three-dimensional (3D) topological solitons, such as hopfions, are 3D localized continuous field configurations with nontrivial particle-like structures, that exhibit a host of important topologically protected properties. Here, we propose and demonstrate photonic counterparts of hopfions with exact characteristics of Hopf fibration, Hopf index, and Hopf mapping from real-space vector beams to homotopic hyperspheres representing polarisation states. We experimentally generate photonic hopfions with on-demand high-order Hopf indices and independently controlled topological textures, including Néel-, Bloch-, and anti-skyrmionic types. We also demonstrate a robust free-space transport of photonic hopfions, thus, showing potential of hopfions for developing optical topological informatics and communications.