Researcher profile

Yuhao Gu

Yuhao Gu contributes to research discovery and scholarly infrastructure.

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Published work

7 published item(s)

preprint2026arXiv

SkCC: Portable and Secure Skill Compilation for Cross-Framework LLM Agents

LLM agents increasingly rely on reusable skills (e.g., `SKILL.md`) to execute complex tasks, yet these artifacts lack portability: agent frameworks are highly sensitive to prompt formatting, leading to a large performance variation for the same skill. Nevertheless, most skills are authored once as format-agnostic Markdown, necessitating costly per-framework rewrites and also leaving security largely unaddressed, with widespread vulnerabilities in practice. To address this, we present SkCC, a compiler for LLM agents that introduces classical compilation design into agent skill development. SkCC centers on SkIR, a strongly-typed intermediate representation that decouples skill semantics from framework-specific formatting, thus enabling portable deployment across agent frameworks. Atop of this IR, a static Optimizer enforces security constraints, blocking vulnerabilities before deployment. Implemented as a four-phase pipeline, SkCC effectively reduces adaptation complexity from $O(m \times n)$ to $O(m + n)$ across $m$ skills and $n$ frameworks. Experiments on SkillsBench demonstrate that SkCC delivers consistent and substantial gains over original counterparts, with pass rate increases from 21.1% to 33.3% on Claude Code and from 35.1% to 48.7% on Kimi CLI. Further, the design achieves sub-10ms compilation latency, 94.8% proactive security trigger rate, and 10-46% runtime token savings across frameworks.

preprint2023arXiv

Mottness in two-dimensional van der Waals Nb$_3$X$_8$ monolayers (X=Cl, Br, and I)

We investigate strong electron-electron correlation effects on 2-dimensional van der Waals materials Nb$_3$X$_8$ (X=Cl, Br, I). We find that the monolayers Nb$_3$X$_8$ are ideal systems close to the strong correlation limit. They can be described by a half-filled single band Hubbard model in which the ratio between the Hubbard, U, and the bandwidth, W, U/W $\approx$ 5 $\sim$ 10. Both Mott and magnetic transitions of the material are calculated by the slave boson mean field theory. Doping the Mott state, a $d_{x^2-y^2}+id_{xy}$ superconducting pairing instability is found. We also construct a tunable bilayer Hubbard system for two sliding Nb$_3$X$_8$ layers. The bilayer system displays a crossover between the band insulator and Mott insulator.

preprint2022arXiv

Electronic Nature of Charge Density Wave and Electron-Phonon Coupling in Kagome Superconductor KV$_3$Sb$_5$

The Kagome superconductors AV3Sb5 (A=K, Rb, Cs) have received enormous attention due to their nontrivial topological electronic structure, anomalous physical properties and superconductivity. Unconventional charge density wave (CDW) has been detected in AV3Sb5. High-precision electronic structure determination is essential to understand its origin. Here we unveil electronic nature of the CDW phase in our high-resolution angle-resolved photoemission measurements on KV3Sb5. We have observed CDW-induced Fermi surface reconstruction and the associated band folding. The CDW-induced band splitting and the associated gap opening have been revealed at the boundary of the pristine and reconstructed Brillouin zones. The Fermi surface- and momentum-dependent CDW gap is measured and the strongly anisotropic CDW gap is observed for all the V-derived Fermi surface. In particular, we have observed signatures of the electron-phonon coupling in KV3Sb5. These results provide key insights in understanding the nature of the CDW state and its interplay with superconductivity in AV3Sb5 superconductors.

preprint2021arXiv

Gapless excitations inside the fully gapped kagome superconductors AV$_3$Sb$_5$

The superconducting gap structures in the transition-metal-based kagome metal AV$_3$Sb$_5$ (A=K,Rb,Cs), the first family of quasi-two-dimensional kagome superconductors, remain elusive as there is strong experimental evidence for both nodal and nodaless gap structures. Here we show that the dichotomy can be resolved because of the coexistence of time-reversal symmetry breaking with a conventional fully gapped superconductivity. The symmetry protects the edge states which arise on the domains of the lattice symmetry breaking order to remain gapless in proximity to a conventional pairing. We demonstrate this result in a four-band tight-binding model using the V $d_{X^2-Y^2}$-like and the in-plane Sb $p_z$-like Wannier functions that can faithfully capture the main feature of the materials near the Fermi level.

preprint2020arXiv

A substantial hybridization between correlated Ni-d orbital and itinerant electrons in infinite-layer nickelates

The discovery of unconventional superconductivity in hole doped NdNiO2, similar to CaCuO2, has received enormous attention. However, different from CaCuO2, RNiO2 (R = Nd, La) has itinerant electrons in the rare-earth spacer layer. Previous studies show that the hybridization between Ni-dx2-y2 and rare-earth-d orbitals is very weak and thus RNiO2 is still a promising analog of CaCuO2. Here, we perform first-principles calculations to show that the hybridization between Ni-dx2-y2 orbital and itinerant electrons in RNiO2 is substantially stronger than previously thought. The dominant hybridization comes from an interstitial-s orbital rather than rare-earth-d orbitals, due to a large inter-cell hopping. Because of the hybridization, Ni local moment is screened by itinerant electrons and the critical U_Ni for long-range magnetic ordering is increased. Our work shows that the electronic structure of RNiO2 is distinct from CaCuO2, implying that the observed superconductivity in infinite-layer nickelates does not emerge from a doped Mott insulator.

preprint2020arXiv

Unconventional High Temperature Superconductivity in Cubic Zinc-blende Transition Metal Compounds

We consider possible high temperature superconductivity (high-T$_c$) in transition metal compounds with a cubic zinc-blende lattice structure. When the electron filling configuration in the d-shell is close to d$^7$, all three t$_{2g}$ orbitals are near half filling with strong nearest neighbor antiferromagnetic (AFM) superexchange interactions. We argue that upon doping, this electronic environment can be one of "genes" to host unconventional high T$_c$ with a time reversal symmetry broken $d_{2z^2-x^2-y^2} \pm i d_{x^2-y^2}$ pairing symmetry. With gappless nodal points along the diagonal directions, this state is a direct three dimensional analogue to the two dimensional $B_{1g}$ d-wave state in cuprates. We suggest that such a case may be realized in electron doped CoN, such as CoN$_{1-x}$O$_x$ and (H, Li)$_{1-x}$CoN.

preprint2019arXiv

Topological superconductivity in Ni-based transition-metal trichalcogenide superconductors

Based on a two-orbital honeycomb lattice model and random phase approximation, we investigate the pairing symmetry of the Ni-based transition-metal trichalcogenide. We find that an I-wave (A2g) state and a chiral d-wave state are dominant and nearly degenerate for typical electron and hole dopings. These two states carry nontrivial topological properties, which are manifested by the presence of chiral edge states in the d+id-wave state and dispersionless Andreev bound state at zero energy in the I-wave state. Ni-based transition-metal trichalcogenides provide us a new platform to study the exotic phenomena emerged from electron-electron correlation effects.