Researcher profile

Hengyu Zhang

Hengyu Zhang contributes to research discovery and scholarly infrastructure.

ResearcherAffiliation not importedOpen to collaborate

Trust snapshot

Quick read

Trust 15 - UnverifiedVerification L1Unclaimed author
3works
0followers
6topics
4close collaborators

Actions

Decide how to stay connected

Follow researcher0

Identity and collaboration

How to connect with this researcher

Claiming links this public author record to a researcher profile and unlocks direct collaboration workflows.

Log in to claim

Direct collaboration

Open a focused conversation when the fit is right

Claim this author entity first to unlock direct invitations.

Research graph

See the researcher in context

Open full explorer

Inspect adjacent work, topics, institutions and collaborators without jumping out to a separate graph page.

Building this graph slice

BZPEER is loading the nearby papers, people, topics and institutions for this page.

Published work

3 published item(s)

preprint2026arXiv

CoRe-Gen: Robust Spectrum-to-Structure Generation under Imperfect Fingerprint Conditions

Molecular structure elucidation from tandem mass spectra (MS/MS) remains challenging, particularly for de novo generation beyond database coverage. A common approach decomposes the task into spectrum-to-fingerprint prediction followed by fingerprint-to-structure decoding, enabling the use of large-scale molecular corpora. However, at deployment, the decoder relies on predicted rather than oracle fingerprints, introducing structured errors that propagate into generation. This results in a fundamental condition mismatch, where models trained on clean inputs must operate under noisy, biased predictions, especially for long-tail substructures. We present CoRe-Gen that explicitly addresses this gap. CoRe-Gen improves the intermediate condition via synthetic-spectrum pretraining of the encoder, matches deployment-time noise through frequency-aware fingerprint corruption during decoder training, and mitigates residual errors using structure-aware autoregressive decoding with compositional SELFIES representations, auxiliary structural supervision, and lightweight chemical constraints. Experiments on standard benchmarks show that CoRe-Gen establishes a new state of the art on NPLIB1, achieving 19.54\% Top-1 and 29.92\% Top-10 exact-match accuracy, while remaining competitive on the more challenging MassSpecGym benchmark. Importantly, CoRe-Gen preserves the efficiency advantages of autoregressive decoding, providing a practical and scalable solution for robust spectrum-to-structure generation under realistic conditions.

preprint2023arXiv

Disentangling Past-Future Modeling in Sequential Recommendation via Dual Networks

Sequential recommendation (SR) plays an important role in personalized recommender systems because it captures dynamic and diverse preferences from users' real-time increasing behaviors. Unlike the standard autoregressive training strategy, future data (also available during training) has been used to facilitate model training as it provides richer signals about user's current interests and can be used to improve the recommendation quality. However, these methods suffer from a severe training-inference gap, i.e., both past and future contexts are modeled by the same encoder when training, while only historical behaviors are available during inference. This discrepancy leads to potential performance degradation. To alleviate the training-inference gap, we propose a new framework DualRec, which achieves past-future disentanglement and past-future mutual enhancement by a novel dual network. Specifically, a dual network structure is exploited to model the past and future context separately. And a bi-directional knowledge transferring mechanism enhances the knowledge learnt by the dual network. Extensive experiments on four real-world datasets demonstrate the superiority of our approach over baseline methods. Besides, we demonstrate the compatibility of DualRec by instantiating using RNN, Transformer, and filter-MLP as backbones. Further empirical analysis verifies the high utility of modeling future contexts under our DualRec framework. The code of DualRec is publicly available at https://github.com/zhy99426/DualRec.

preprint2020arXiv

Finite temperature density functional theory investigation to the nonequilibrium transient warm dense state created by laser excitation

We present a finite-temperature density functional theory investigation of the nonequilibrium transient electronic structure of warm dense Li, Al, Cu, and Au created by laser excitation. Photons excite electrons either from the inner shell orbitals or from the valence bands according to the photon energy, and give rise to isochoric heating of the sample. Localized states related to the 3d orbital are observed for Cu when the hole lies in the inner shell 3s orbital. The electrical conductivity for these materials at nonequilibrium states is calculated using the Kubo-Greenwood formula. The change of the electrical conductivity, compared to the equilibrium state, is different for the case of holes in inner shell orbitals or the valence band. This is attributed to the competition of two factors: the shift of the orbital energies due to reduced screening of core electrons, and the increase of chemical potential due to the excitation of electrons. The finite temperature effect of both the electrons and the ions on the electrical conductivity is discussed in detail. This work is helpful to better understand the physics of laser excitation experiments of warm dense matter.