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Tiantian Zhang

Tiantian Zhang contributes to research discovery and scholarly infrastructure.

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Published work

16 published item(s)

preprint2026arXiv

Power Reinforcement Post-Training of Text-to-Image Models with Super-Linear Advantage Shaping

Recently, post-training methods based on reinforcement learning, with a particular focus on Group Relative Policy Optimization (GRPO), have emerged as the robust paradigm for further advancement of text-to-image (T2I) models. However, these methods are often prone to reward hacking, wherein models exploit biases in imperfect reward functions rather than yielding genuine performance gains. In this work, we identify that normalization could lead to miscalibration and directly removing the prompt-level standard deviation term yields an optimal policy ascent direction that is linear in the advantage but still limits the separation of genuine signals from noise. To mitigate the above issues, we propose Super-Linear Advantage Shaping (SLAS) by revisiting the functional update from an information geometry perspective. By extending the Fisher-Rao information metric with advantage-dependent weighting, SLAS introduces a non-linear geometric structure that reshapes the local policy space. This design relaxes constraints along high-advantage directions to amplify informative updates, while tightening those in low-advantage regions to suppress illusory gradients. In addition, batch-level normalization is applied to stabilize training under varying reward scales. Extensive evaluations demonstrate that SLAS consistently surpasses the DanceGRPO baseline across multiple backbones and benchmarks. In particular, it yields faster training dynamics, improved out-of-domain performance on GenEval and UniGenBench++, and enhanced robustness to model scaling, while mitigating reward hacking and preserving semantic and compositional fidelity in generations.

preprint2026arXiv

Superconductivity in Electron Liquids: Precision Many-Body Treatment of Coulomb Interaction

More than a century after discovery, the theory of conventional superconductivity remains incomplete. While the importance of electron-phonon coupling is understood, a controlled first-principles treatment of Coulomb interaction is lacking. Current ab initio calculations of superconductivity rely on a phenomenological downfolding approximation, replacing Coulomb interaction with a repulsive pseudopotential μ*, and leaving ambiguities in electron-phonon coupling with dynamical Coulomb interactions unresolved. We address this via an effective field theory approach, integrating out high-energy electronic degrees of freedom using variational Diagrammatic Monte Carlo. Applied to the uniform electron gas, this establishes a microscopic procedure to implement downfolding, define the pseudopotential, and express dynamical Coulomb effects on electron-phonon coupling via the electron vertex function. We find the bare pseudopotential significantly larger than conventional values. This yields improved pseudopotential estimates in simple metals and tests density functional perturbation theory accuracy for effective electron-phonon coupling. We present an ab initio workflow computing superconducting Tc from the anomalous vertex's precursory Cooper flow. This infers Tc from normal state calculations, enabling reliable estimates of very low Tc (including near quantum phase transitions) beyond conventional reach. Validating our approach on simple metals without empirical tuning, we resolve long-standing discrepancies and predict a pressure-induced transition in Al from superconducting to non-superconducting above ~60GPa. We propose ambient-pressure Mg and Na are proximal to a similar critical point. Our work establishes a controlled ab initio framework for electron-phonon superconductivity beyond the weak-correlation limit, paving the way for reliable Tc calculations and novel material design.

preprint2025arXiv

Comprehensive Study of Phonon Chirality under Symmetry Constraints

Phonons are quanta of lattice vibrations, and their modes (linear, circular, or stationary) are symmetry-determined. Circularly polarized phonons, possessing nonzero angular momentum (AM), have drawn widespread attention recently. Despite widespread use of pseudo-angular momentum (PAM) and circularly polarized light polarization flips to identify chiral phonons in Raman scattering, their reliability is debated due to symmetry dependence, and experimental verification standards remain lacking. Here, we systematically study phonon chirality and associated phenomena across magnetic point groups. We establish that the AM-PAM correlation is governed by both crystalline symmetry and Wyckoff positions, dictating conditions where nonzero AM manifests in PAM signatures. Crucially, phonons belonging to distinct irreducible representations exhibit distinct experimental benchmarks, enabling direct determination of crystalline chirality and symmetry classification. Furthermore, we report the discovery of a signature for symmetry-induced phenomena, notably a half-wave plate-analogous effect induced by mirror-odd phonons. Meanwhile, we conducted five experiments to validate our theory.

preprint2022arXiv

$Z_2$ Dirac points with topologically protected multihelicoid surface states

In some Dirac systems with time-reversal (T) and glide (G) symmetries, multihelicoid surface states (MHSSs) appear, as discussed in various systems such as electronic and photonic ones. However, the topological nature and the conditions for the appearance of the MHSSs have not been understood. Here we show that MHSSs result from bulk-surface correspondence for the $Z_2$ monopole charge Q, which cannot be defined as a local quantity associated with the Dirac point, unlike the Z monopole charge characterizing Weyl points. The previously known formula of Q turns out to be non-gauge-invariant and thus cannot characterize the MHSSs. This shortcoming of the definition of Q is amended by redefining Q as a global topological invariant in k-space. Surprisingly, the newly defined Q, characterizing GT invariant gapless systems, is equal to the G-protected $Z_2$ topological invariant v, which is nontrivial only in T-breaking gapped systems. This global definition of Q automatically guarantees the appearance of MHSSs even when the Dirac point splits into Weyl points or a nodal ring by lowering the symmetry, as long as the GT symmetry is preserved. Q can be simplified to symmetry-based indicators when two vertical Gs are preserved, and filling-enforced topological crystalline insulators are diagnosed in several cases when a T-breaking perturbation is induced. Material candidate Li2B4O7 together with a list of space groups preserving MHSSs are also proposed.

preprint2022arXiv

A comprehensive study of complex non-adiabatic exciton dynamics in MoSi$_2$N$_4$

Excitons, which are composite boson quasi-particles composed of bound electrons and holes, have many fascinating properties and great potential in practical applications. Though experimental studies on exciton dynamics are well-developed, the ab initio simulation ones still remain vacant until two years ago. Here, we apply the density functional theory (DFT) and many-body perturbation theory (MBPT) on 2D MoSi$_2$N$_4$ to study its exciton-related physics and non-adiabatic ultrafast exciton dynamics theoretically and numerically for the first time. We calculate the photoluminescence (PL) spectra with final states as bright excitons, yet lots of them are contributed by the dark ones, and the results match the experimental ones perfectly. We also study the dark-exciton-involved processes, which were barely studied in the past but dominate in many physical processes, and obtain several main results like: (i) High scattering rates over the whole Brillouin zone (BZ) within the order of magnitude from 10$^{-2}$ fs$^{-1}$ to 10$^{-1}$ fs$^{-1}$; (ii) Thorough analysis for the dynamics of the dark excitons at $Λ$ valley, which have negative effective mass and the highest scattering rate among several exciton states; (iii) Simulate the time-resolved evolution of the excitons after photo-excitation with the real-time Boltzmann transport equation (rt-BTE) techniques, in which process excitons at K/K' valley play an important role; (iv) Exciton dynamics with spin-valley locking at K/K' valley are also discussed here; (v) A new approach is proposed for modulating the non-adiabatic effects for excitons, accompanied by a chiral phonon absorption/emission, by tuning the chirality of the external circularly polarized light. All the results show that the 2D material MoSi$_2$N$_4$ is an ideal platform to study the exciton-involved physics and has great application value.

preprint2022arXiv

Anomalous Crystal Shapes of Topological Crystalline Insulators

Understanding crystal shapes is a fundamental subject in surface science. It is now well studied how chemical bondings determine crystal shapes via dependence of surface energies on surface orientations. Meanwhile, discoveries of topological materials have led us to a new paradigm in surface science, and one can expect that topological surface states may affect surface energies and crystal facets in an unconventional way. Here we show that the surface energy of glide-symmetric topological crystalline insulators (TCI) depends on the surface orientation in a singular way via the parity of the Miller index. This singular surface energy of the TCI affects equilibrium crystal shapes, resulting in emergence of unique crystal facets of the TCI. This singular dependence of the topological surface states is unique to the TCI protected by the glide symmetry in contrast to a TCI protected by a mirror symmetry. In addition, we show that such singular surface states of the TCI protected by the glide symmetries can be realized in KHgSb with first-principles calculations. Our results provide a basis for designs and manipulations of crystal facets by utilizing symmetry and topology.

preprint2022arXiv

Catastrophic Interference in Reinforcement Learning: A Solution Based on Context Division and Knowledge Distillation

The powerful learning ability of deep neural networks enables reinforcement learning agents to learn competent control policies directly from continuous environments. In theory, to achieve stable performance, neural networks assume i.i.d. inputs, which unfortunately does no hold in the general reinforcement learning paradigm where the training data is temporally correlated and non-stationary. This issue may lead to the phenomenon of "catastrophic interference" and the collapse in performance. In this paper, we present IQ, i.e., interference-aware deep Q-learning, to mitigate catastrophic interference in single-task deep reinforcement learning. Specifically, we resort to online clustering to achieve on-the-fly context division, together with a multi-head network and a knowledge distillation regularization term for preserving the policy of learned contexts. Built upon deep Q networks, IQ consistently boosts the stability and performance when compared to existing methods, verified with extensive experiments on classic control and Atari tasks. The code is publicly available at: https://github.com/Sweety-dm/Interference-aware-Deep-Q-learning.

preprint2022arXiv

Chiral phonons entangled with multiple Hall effects and unified convention for pseudoangular momentum in 2D materials

Recently, a series of two-dimensional (2D) nonmagnetic layered materials XSi2Y4 (X=transition metals; Y=pnictogens) having similar crystal structures with transition-metal dichalcogenides (TMDs) were proposed for their potential application value. Like TMDs, we propose that chiral phonon involved valley-selective optical circular dichroism can be also obtained in XSi2Y4, and it can be further entangled with multiple Hall effects. However, it is difficult to compare such effect between XSi2Y4 and TMDs due to the non-unified conventions for pseudo-angular momentum (PAM) in the previous studies. Here we use MoSi2As4 and MoS2 as examples to establish unified convention for both phonon PAM and electronic PAM, together with showing their similarities and differences in crystal structure, band structures and valley-selective optical circular dichroism. In particular, we find in MoSi2As4, the chiral phonon emission/absorption, the spin, the valley and the transverse Hall current, can be modulated by changing either the energy or the handedness of the incident light, which show better performance than TMDs.

preprint2022arXiv

Endless Dirac nodal lines in kagome-metal Ni3In2S2

Topological semimetals are a frontier of quantum materials. In multi-band electronic systems, topological band-crossings can form closed curves, known as nodal lines. In the presence of spin-orbit coupling and/or symmetry-breaking operations, topological nodal lines can break into Dirac/Weyl nodes and give rise to novel transport properties, such as the chiral anomaly and giant anomalous Hall effect. Recently the time-reversal symmetry-breaking induced Weyl fermions are observed in a kagome-metal Co3Sn2S2, triggering interests in nodal-line excitations in multiband kagome systems. Here, using first-principles calculations and symmetry based indicator theories, we find six endless nodal lines along the stacking direction of kagome layers and two nodal rings in the kagome plane in nonmagnetic Ni3 In2 S2 . The linear dipsersive electronic structure, confirmed by angle-resolved photoemission spectroscopy, induces large magnetoresistance up to 2000% at 9 T. Our results establish a diverse topological landscape of multi-band kagome metals.

preprint2022arXiv

Polarization jumps by breaking symmetries of two-dimensional Weyl semimetals

The electric polarization as a bulk quantity is described by the modern theory of polarization in insulating systems and cannot be defined in conducting systems. Upon a gradual change of a parameter in the system, the polarization always varies smoothly as long as the gap remains open. In this paper, we focus on the two-dimensional Weyl semimetal, which hosts Weyl nodes protected by symmetries, and study the behavior of the polarization when a symmetry-breaking term $M$ is introduced and a gap opens. We show that there can be a jump between $M\to0^+$ and $M\to0^-$ limits. We find that the jump is universally described by the ``Weyl dipole" representing how the Weyl nodes with monopole charges are displaced in the reciprocal space. Our result is applicable to general two-dimensional Weyl semimetals.

preprint2022arXiv

Truly chiral phonons in α-HgS

Chirality is a manifestation of the asymmetry inherent in nature. It has been defined as the symmetry breaking of the parity of static objects, and the definition was extended to dynamic motion such that true and false chiralities were distinguished. Recently, rotating, yet not propagating, atomic motions were predicted and observed in two-dimensional materials, and they were referred to as "chiral phonons" . A natural development would be the discovery of truly chiral phonons that propagate while rotating in three-dimensional materials. Here, we used circularly polarised Raman scattering and first-principles calculations to identify truly chiral phonons in chiral bulk crystals. This approach enabled us to determine the chirality of a crystal in a non-contact and non-destructive manner. In addition, we demonstrated that the law of the conservation of pseudo-angular momentum holds between circularly polarised photons and chiral phonons. These findings are expected to help develop ways for transferring the pseudo-angular momentum from photons to electron spins via the propagating chiral phonons in opto-phononic-spintronic devices.

preprint2021arXiv

Chiral phonons and pseudo-angular momentum in non-symmorphic systems

Chiral phonons are the ones with nonzero polarization and can be observed only via a selective coupling with valley electrons and circularly polarized photons. In such process, a new physical quantity, i.e., pseudo-angular momentum (PAM), is required to meet the selection rule. However, phonon PAM was thought to be quantized and can be only defined in the symmorphic systems. In this work, we generalized the definition of PAM to three-dimensional non-symmorphic systems, which show distinct different properties compared with the one in symmorphic systems, e.g., PAM can be non-quantized and q-dependent but still be an observable quantity by experiments. Such new definitions and discoveries can help us to obtain chiral phonons in a broader class of systems with a nonzero group velocity and to convey information like chirality and angular momentum in solids as expected. Materials are also offered to understand the new definition and for further experimental detection.

preprint2021arXiv

Crystal and Electronic Structure of GaTa$_4$Se$_8$ From First-Principle Calculations

GaTa$_4$Se$_8$ belongs to the lacunar spinel family. Its crystal structures is still a puzzle though there have been intensive studies on its novel properties, such as the Mott insulator phase and superconductivity under pressure. In this work, we investigate its phonon spectra through first-principle calculations and proposed it most probably has crystal structure phase transition, which is consistent with several experimental observations. For the prototype lacunar spinel with cubic symmetry of space group $F\bar{4}3m$, its phonon spectra have three soft modes in the whole Brillouin zone, indicating the strong dynamical instability of such crystal structure. In order to find the dynamically stable crystal structure, further calculations indicate two new structures of GaTa$_4$Se$_8$, corresponding to $R3m$ and $P\bar{4}2_{1}m$, verifying that at the ambient pressure, there does exist structure phase transition of GaTa$_4$Se$_8$ from $F\bar{4}3m$ to other structures when the temperature is lowered. We also performed electronic structure calculation for $R3m$ and $P\bar{4}2_{1}m$ structure, showing that $P\bar{4}2_{1}m$ structure GaTa$_4$Se$_8$ is band insulator, and obtained Mott insulator state for $R3m$ structure by DMFT calculation under single-band Hubbard model picture when interaction parameter U is larger than 0.40 eV vs. band width of 0.25 eV. It is reasonable to assume that while lowering the temperature, $F\bar{4}3m$ structure GaTa$_4$Se$_8$ becomes $R3m$ structure GaTa$_4$Se$_8$ first, then $P\bar{4}2_{1}m$ structure GaTa$_4$Se$_8$, because of the symmetry of $P\bar{4}2_{1}m$ is lower than $R3m$ after Jahn-Teller distortion. The structure transition may explain the magnetic susceptibility anomalous at low temperature.

preprint2021arXiv

Degenerate topological line surface phonons in quasi-1D double helix crystal SnIP

Degenerate points/lines in the bulk band structures of crystals have become a staple of the growing number of topological materials. The bulk-boundary correspondence provides a relation between bulk topology and surface states. While line degeneracies of bulk excitations have been extensively characterized, line degeneracies of surface states are not well understood. We show that SnIP, a quasi-one-dimensional van der Waals material with a double helix crystal structure, exhibits topological nodal rings/lines in both the bulk phonon modes and their corresponding surface states. Using a combination of first-principles calculations, symmetry-based indicator theories and Zak phase analysis, we find that two neighbouring bulk nodal rings form doubly degenerate lines in their drumhead-like surface states, which are protected by the combination of time-reversal and glide mirror symmetries $\mathcal{T}\bar{M}_y$. Our results indicate that surface degeneracies can be generically protected by symmetries such as $\mathcal{T}\bar{M}_y$, and phonons provide an ideal platform to explore such degeneracies.

preprint2020arXiv

Quasiparticle Interference Evidence of the Topological Fermi Arc States in Chiral Fermionic Semimetal CoSi

Chiral fermions in solid state feature "Fermi arc" states, connecting the surface projections of the bulk chiral nodes. The surface Fermi arc is a signature of nontrivial bulk topology. Unconventional chiral fermions with an extensive Fermi arc traversing the whole Brillouin zone have been theoretically proposed in CoSi. Here, we use scanning tunneling microscopy / spectroscopy to investigate quasiparticle interference at various terminations of a CoSi single crystal. The observed surface states exhibit chiral fermion-originated characteristics. These reside on (001) and (011) but not (111) surfaces with pi-rotation symmetry, spiral with energy, and disperse in a wide energy range from ~-200 to ~+400 mV. Owing to the high-energy and high-space resolution, a spin-orbit coupling-induced splitting of up to ~80 mV is identified. Our observations are corroborated by density functional theory and provide strong evidence that CoSi hosts the unconventional chiral fermions and the extensive Fermi arc states.

preprint2019arXiv

A diagnosis scheme for topological degeneracies at high-symmetry momenta

Theories of symmetry-based indicators and topological quantum chemistry, while powerful in diagnosing gapped topological materials, cannot be directly applied to diagnosing band degeneracies at high-symmetry momenta due to the violation of the compatibility conditions. Here we design a recursive protocol that utilizes indicators of maximal subgroups to infer the topological nature of band degeneracies at high-symmetry lines. For demonstration, the method is used to predict the existence of iso-energy Weyl points and a node-line cage, respectively, in the phonon bands of In2Te and ZrSiO.