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Xueqing Chen

Publications and source records attributed to Xueqing Chen.

At least 19 recordsLinked to original sources
arXiv2026

The JWST Sub-Jupiters Survey: Direct Imaging Discovery of a Giant Planet and a Debris Disk Around the Young M-dwarf RX J0534.0-0221

We present the discovery of RX J0534.0-0221 b, a giant planet orbiting an M-dwarf star in the $β$ Pictoris moving group. RX J0534 was originally observed with JWST/NIRCam in the F444W and F200W filters. Observations in F444W reveal a point source at signal-to-noise ratio $\sim17.5$ at $\sim0.41$ arcsec ($\sim14$ au) from the host star, with no detection of the source in F200W. A follow-up observation with LBTI/LMIRCam in $L'$ band re-detects the source 16 months after the JWST epoch, providing evidence for common proper motion over a chance alignment with a background interloper at the $6-7σ$ level. Atmospheric grid model fits to the available photometry yield bolometric luminosity log$_{10}(L/L_\odot) = -5.48^{+0.10}_{-0.19}$ dex. At an age of $18-26$ Myr, hot-start evolutionary models predict $M=2.8^{+0.5}_{-0.5}$ M$_{\text{Jup}}$ and $T_{\text{eff}}=674^{+57}_{-49}$ K. From the $L'-F444W$ color and magnitudes we find evidence for disequilibrium chemistry or enhanced metallicity in the planet atmosphere. Additionally, an extended structure is detected in the JWST F200W observation, consistent with a resolved debris disk with peak density radius of $79^{+3}_{-3}$ au and an inclination of $56.5^{+1.5}_{-1.5}$ deg. RX J0534 b is one of the lowest-mass planets imaged to date. After TWA 7 b, it is the second imaged planet around an M-dwarf orbiting at Solar System scales (the first within 50 au), and the first to be confirmed via common proper motion. Future orbital monitoring and atmospheric characterization will shed light on its formation history, a particularly interesting question given the challenging nature of giant planet formation around M-dwarfs.

astro-ph.EP↗
arXiv2026

SpecXMaster Technical Report

Intelligent spectroscopy serves as a pivotal element in AI-driven closed-loop scientific discovery, functioning as the critical bridge between matter structure and artificial intelligence. However, conventional expert-dependent spectral interpretation encounters substantial hurdles, including susceptibility to human bias and error, dependence on limited specialized expertise, and variability across interpreters. To address these challenges, we propose SpecXMaster, an intelligent framework leveraging Agentic Reinforcement Learning (RL) for NMR molecular spectral interpretation. SpecXMaster enables automated extraction of multiplicity information from both 1H and 13C spectra directly from raw FID (free induction decay) data. This end-to-end pipeline enables fully automated interpretation of NMR spectra into chemical structures. It demonstrates superior performance across multiple public NMR interpretation benchmarks and has been refined through iterative evaluations by professional chemical spectroscopists. We believe that SpecXMaster, as a novel methodological paradigm for spectral interpretation, will have a profound impact on the organic chemistry community.

cs.LG↗
arXiv2026

Direct Imaging Discovery of Giant Exoplanet $β$ Pictoris d: A Decade-Long Game of Hide-and-Seek

We report the direct imaging discovery of a third exoplanet in the $β$ Pictoris system. We detect $β$ Pictoris d ($β$ Pic d) in non-coronagraphic observations obtained with VLT/ERIS as well as multi-epoch archival datasets from JWST/NIRCam and VLT/SPHERE. Astrometric measurements over an 11-year baseline demonstrate that it is consistent with a gravitationally-bound source with orbital motion. Joint multi-planet orbit fits of all three planets in the system yield a semi-major axis of $26.0^{+2.2}_{-6.1}$ au and inclination $89.0^{+0.7}_{-0.6}$ deg for planet d. $β$ Pic d has a larger orbital semi-major axis than the other known planets in the system, but is coplanar with the inner two planets, and its orbit is consistent with sculpting the inner edge of the debris disk. $β$ Pic d has a contrast of $ΔL^{\prime}=12.11\pm0.15$ mag, with colors and luminosity that closely match those of 51 Eri b, another exoplanet in the $β$ Pictoris moving group. Its VLT/ERIS and JWST/NIRCam colors are distinct from those of free-floating planetary-mass objects of a similar age and temperature. Its red $F410M-F444W$ color indicates strong CO$_2$ absorption in its atmosphere and suggests significant enhancement in metals compared to free-floating objects. From the ATMO hot-start evolutionary models, we estimate an effective temperature of $600^{+45}_{-60}$ K and mass of $2.4\pm0.6$ $M_{\rm Jup}$, which also closely matches similar estimates for 51 Eri b. $β$ Pic d is among the lowest-mass exoplanets imaged from the ground. This discovery highlights the deep sensitivity achievable with ground-based imaging in the mid-infrared and the discovery potential of future high-contrast observations with the Extremely Large Telescope.

astro-ph.EP↗
arXiv2026

Generation-Augmented Generation: A Plug-and-Play Framework for Private Knowledge Injection in Large Language Models

In domains such as materials science, biomedicine, and finance, high-stakes deployment of large language models (LLMs) requires injecting private, domain-specific knowledge that is proprietary, fast-evolving, and under-represented in public pretraining. However, the two dominant paradigms for private knowledge injection each have clear drawbacks: fine-tuning is expensive to iterate under continual updates that can induce catastrophic forgetting and general-capability regression; retrieval-augmented generation (RAG) keeps the base model intact but remains brittle in specialized private corpora due to chunk-induced evidence fragmentation, retrieval mismatch, and long-context pressure. Inspired by how multimodal LLMs align heterogeneous modalities into a shared semantic space, we propose Generation-Augmented Generation (GAG), which treats private expertise as an auxiliary modality and injects it into a frozen base model through a compact, constant-budget latent interface. Concretely, GAG distills question-conditioned specialist knowledge from lightweight domain experts into multi-slot latent memories, integrates multi-layer expert signals via per-slot cross-layer fusion, and aligns them to the frozen base model through gated residual projection, while supporting scalable mixed-domain deployment with reliable selective activation. In a unified mixed-domain evaluation spanning two scientific private-domain QA benchmarks (catalytic materials and immunology adjuvant) together with general-domain queries, GAG consistently outperforms strong retrieval-based and parameter-efficient fine-tuning baselines on specialist QA, while preserving general-domain capability, achieving highly reliable routing, and offering a favorable efficiency--effectiveness trade-off. Code and datasets are provided in the supplementary material. Code is publicly available at https://github.com/360CVGroup/GAG.

cs.CL↗
arXiv2025

QE-Catalytic: A Graph-Language Multimodal Base Model for Relaxed-Energy Prediction in Catalytic Adsorption

Adsorption energy is a key descriptor of catalytic reactivity. It is fundamentally defined as the difference between the relaxed total energy of the adsorbate-surface system and that of an appropriate reference state; therefore, the accuracy of relaxed-energy prediction directly determines the reliability of machine-learning-driven catalyst screening. E(3)-equivariant graph neural networks (GNNs) can natively operate on three-dimensional atomic coordinates under periodic boundary conditions and have demonstrated strong performance on such tasks. In contrast, language-model-based approaches, while enabling human-readable textual descriptions and reducing reliance on explicit graph -- thereby broadening applicability -- remain insufficient in both adsorption-configuration energy prediction accuracy and in distinguishing ``the same system with different configurations,'' even with graph-assisted pretraining in the style of GAP-CATBERTa. To this end, we propose QE-Catalytic, a multimodal framework that deeply couples a large language model (\textbf{Q}wen) with an E(3)-equivariant graph Transformer (\textbf{E}quiformer-V2), enabling unified support for adsorption-configuration property prediction and inverse design on complex catalytic surfaces. During prediction, QE-Catalytic jointly leverages three-dimensional structures and structured configuration text, and injects ``3D geometric information'' into the language channel via graph-text alignment, allowing it to function as a high-performance text-based predictor when precise coordinates are unavailable, while also autoregressively generating CIF files for target-energy-driven structure design and information completion. On OC20, QE-Catalytic reduces the MAE of relaxed adsorption energy from 0.713~eV to 0.486~eV, and consistently outperforms baseline models such as CatBERTa and GAP-CATBERTa across multiple evaluation protocols.

cs.LG↗
arXiv2025

The JWST weather report from the nearest brown dwarfs III: Heterogeneous clouds and Thermochemical instabilities as possible drivers of WISE 1049AB's spectroscopic variability

We present a new analysis of the spectroscopic variability of WISE~J104915.57$-$531906.1AB (WISE~1049AB, L7.5+T0.5), observed using the NIRSpec instrument onboard the James Webb Space Telescope (GO 2965 - PI: Biller). We explored the variability of the dominant molecular bands present in their 0.6--5.3~$μ$m spectra (H$_2$O, CH$_4$, CO), finding that the B component exhibits a higher maximum deviation than the A component in all the wavelength ranges tested. The light curves reveal wavelength-(atmospheric depth) and possibly chemistry-dependent variability. In particular, for the A component, the variability in the light curves at the wavelengths traced by the CH$_4$ and CO molecular absorption features is higher than that of H$_2$O, even when both trace similar pressure levels. We concluded that clouds alone are unlikely to explain the increased variability of CO and CH$_4$ with respect to H$_2$O, suggesting that an additional physical mechanism is needed to explain the observed variability. This mechanism is probably due to thermochemical instabilities. Finally, we provide a visual representation of the 3D atmospheric map reconstructed for both components using the molecular band contributions at different pressure levels and the fit of planetary-scale waves.

astro-ph.SR↗
arXiv2025

Sensitivity to Sub-Io-sized Exosatellite Transits in the MIRI LRS Lightcurve of the Nearest Substellar Worlds

JWST's unprecedented sensitivity enables precise spectrophotometric monitoring of substellar worlds, revealing atmospheric variability driven by mechanisms operating across different pressure levels. This same precision now permits exceptionally sensitive searches for transiting exosatellites, small terrestrial companions to these worlds. Using a novel simultaneous dual-band search method to address host variability, we present a search for transiting exosatellites in an 8-hour JWST/MIRI LRS lightcurve of the nearby ($2.0\,pc$) substellar binary WISE J1049-5319AB, composed of two $\sim30 M_{\rm Jup}$ brown dwarfs separated by $3.5\,au$ and viewed near edge-on. Although we detect no statistically significant transits, our injection-recovery tests demonstrate sensitivity to satellites as small as $0.275\,R_{\oplus}$ ($0.96\,R_{\rm Io}$ or $\sim$1 lunar radius), corresponding to 300ppm transit depths, and satellite-to-host mass ratios $>$$10^{-6}$. This approach paves the way for detecting Galilean-moon analogs around directly imaged brown dwarfs, free-floating planets, and wide-orbit exoplanets, dozens of which are already scheduled for JWST lightcurve monitoring. In our Solar System, each giant planet hosts on average 3.5 moons above this threshold, suggesting that JWST now probes a regime where such companions are expected to be abundant. The technique and sensitivities demonstrated here mark a critical step toward detecting exosatellites and ultimately enabling constraints on the occurrence rates of small terrestrial worlds orbiting $1\text{-}70$$M_{\rm Jup}$ hosts.

astro-ph.EP↗
arXiv2025

Fundamental relations in quantum cluster algebras

Let $\mathcal{A}_{q}$ be an arbitrary quantum cluster algebra with principal coefficients. We give the fundamental relations between the quantum cluster variables arising from one-step mutations from the initial cluster in $\mathcal{A}_{q}$. Immediately and directly, we obtain an algebra homomorphism from the corresponding (untwisted) quantum group to $\mathcal{A}_{q}$.

math.QA↗
arXiv2025

The JWST weather report from the nearest brown dwarfs II: Consistent variability mechanisms over 7 months revealed by 1-14 $μ$m NIRSpec + MIRI monitoring of WISE 1049AB

We present a new epoch of JWST spectroscopic variability monitoring of the benchmark binary brown dwarf WISE 1049AB, the closest, brightest brown dwarfs known. Our 8-hour MIRI low resolution spectroscopy (LRS) and 7-hour NIRSpec prism observations extended variability measurements for any brown dwarfs beyond 11 $μ$m for the first time, reaching up to 14 $μ$m. Combined with the previous epoch in 2023, they set the longest JWST weather monitoring baseline to date. We found that both WISE 1049AB show wavelength-dependent light curve behaviours. Using a robust k-means clustering algorithm, we identified several clusters of variability behaviours associated with three distinct pressure levels. By comparing to a general circulation model (GCM), we identified the possible mechanisms that drive the variability at these pressure levels: Patchy clouds rotating in and out of view likely shaped the dramatic light curves in the deepest layers between 1-2.5 $μ$m, whereas hot spots arising from temperature / chemical variations of molecular species likely dominate the high-altitude levels between 2.5-3.6 $μ$m and 4.3-8.5 $μ$m. Small-grain silicates potentially contributed to the variability of WISE 1049A at 8.5-11 $μ$m. While distinct atmospheric layers are governed by different mechanisms, we confirmed for the first time that each variability mechanism remains consistent within its layer over the long term. Future multi-period observations will further test the stability of variability mechanisms on this binary, and expanded JWST variability surveys across the L-T-Y sequence will allow us to trace and understand variability mechanisms across a wider population of brown dwarfs and planetary-mass objects.

astro-ph.SR↗
arXiv2025

Explicit cluster multiplication formulas for the quantum cluster algebra of type $A_2^{(1)}$

Let $Q$ be an affine quiver of type $A_2^{(1)}$. We explicitly construct the cluster multiplication formulas for the quantum cluster algebra of $Q$ with principal coefficients. As applications, we obtain: (1)\ an exact expression for every quantum cluster variable as a polynomial in terms of the quantum cluster variables in clusters which are one-step mutations from the initial cluster; (2)\ an explicit bar-invariant positive $\mathbb{ZP}$-basis.

math.QA↗
arXiv2024

On the acyclic quantum cluster algebras with principal coefficients

In this paper, we focus on a new lower bound quantum cluster algebra which is generated by the initial quantum cluster variables and the quantum projective cluster variables of an acyclic quantum cluster algebra with principal coefficients. We show that the new lower bound quantum cluster algebra coincides with the corresponding acyclic quantum cluster algebra. Moreover, we establish a class of formulas between these generators, and obtain the dual PBW basis of this algebra.

math.QA↗
arXiv2024

Global weather map reveals persistent top-of-atmosphere features on the nearest brown dwarfs

Brown dwarfs and planetary-mass companions display rotationally modulated photometric variability, especially those near the L/T transition. This variability is commonly attributed to top-of-atmosphere (TOA) inhomogeneities, with proposed models including patchy thick and thin clouds, planetary-scale jets, or chemical disequilibrium. Surface mapping techniques are powerful tools to probe their atmospheric structures and distinguish between models. One of the most successful methods for stellar surface mapping is Doppler imaging, where the existence of TOA inhomogeneities can be inferred from their varying Doppler shifts across the face of a rotating star. We applied Doppler imaging to the nearest brown dwarf binary WISE 1049AB (aka Luhman 16AB) using time-resolved, high-resolution spectroscopic observations from Gemini IGRINS, and obtained for the first time H and K band simultaneous global weather map for brown dwarfs. Compared to the only previous Doppler map for a brown dwarf in 2014 featuring a predominant mid-latitude cold spot on WISE 1049B and no feature on WISE 1049A, our observations detected persistent spot-like structures on WISE 1049B in the equatorial to mid-latitude regions on two nights, and revealed new polar spots on WISE 1049A. Our results suggest stability of atmospheric features over timescale of days and possible long-term stable or recurring structures. H and K band maps displayed similar structures in and out of CO bands, indicating the cold spots not solely due to chemical hotspots but must involve clouds. Upcoming 30-m extremely large telescopes (ELTs) will enable more sensitive Doppler imaging of dozens of brown dwarfs and even a small number of directly-imaged exoplanets.

astro-ph.EP↗
arXiv2024

Identifying and Fitting Eclipse Maps of Exoplanets with Cross-Validation

Eclipse mapping uses the shape of the eclipse of an exoplanet to measure its two-dimensional structure. Light curves are mostly composed of longitudinal information, with the latitudinal information only contained in the brief ingress and egress of the eclipse. This imbalance can lead to a spuriously confident map, where the longitudinal structure is constrained by out-of-eclipse data and the latitudinal structure is wrongly determined by the priors on the map. We present a new method to address this issue. The method tests for the presence of an eclipse mapping signal by using k-fold cross-validation to compare the performance of a simple mapping model to the null hypothesis of a uniform disk. If a signal is found, the method fits a map with more degrees of freedom, optimising its information content. The information content is varied by penalising the model likelihood by a factor proportional to the spatial entropy of the map, optimised by cross-validation. We demonstrate this method for simulated datasets then apply it to three observational datasets. The method identifies an eclipse mapping signal for JWST MIRI/LRS observations of WASP-43b but does not identify a signal for JWST NIRISS/SOSS observations of WASP-18b or Spitzer Space Telescope observations of HD 189733b. It is possible to fit eclipse maps to these datasets, but we suggest that these maps are overfitting the eclipse shape. We fit a new map with more spatial freedom to the WASP-43b dataset and show a flatter east-west structure than previously derived.

astro-ph.EP↗
arXiv2024

The JWST Weather Report from the Nearest Brown Dwarfs I: multi-period JWST NIRSpec + MIRI monitoring of the benchmark binary brown dwarf WISE 1049AB

We report results from 8 hours of JWST/MIRI LRS spectroscopic monitoring directly followed by 7 hours of JWST/NIRSpec prism spectroscopic monitoring of the benchmark binary brown dwarf WISE 1049AB, the closest, brightest brown dwarfs known. We find water, methane, and CO absorption features in both components, including the 3.3 $μ$m methane absorption feature and a tentative detection of small grain ($<$ 1$μ$m) silicate absorption at $>$8.5 $μ$m in WISE 1049A. Both components vary significantly ($>$1$\%$), with WISE 1049B displaying larger variations than WISE 1049A. Using K-means clustering, we find three main transition points in wavelength for both components of the binary: 1) change in behavior at $\sim$2.3 $μ$m coincident with a CO absorption bandhead, 2) change in behavior at 4.2 $μ$m, close to the CO fundamental band at $λ>$ 4.4 $μ$m, and 3) change in behavior at 8.3-8.5 $μ$m, potentially corresponding to silicate absorption. We interpret the lightcurves observed with both NIRSpec and MIRI as likely stemming from 1) a deep pressure level driving the double-peaked variability seen in WISE 1049B at wavelengths $<$2.3 $μ$m and $>$8.5 $μ$m, 2) an intermediate pressure level shaping the lightcurve morphology between 2.3 and 4.2 $μ$m, and 3) a higher-altitude pressure level producing single-peaked and plateaued lightcurve behavior between 4.2 and 8.5 $μ$m.

astro-ph.SR↗
arXiv2024

CataLM: Empowering Catalyst Design Through Large Language Models

The field of catalysis holds paramount importance in shaping the trajectory of sustainable development, prompting intensive research efforts to leverage artificial intelligence (AI) in catalyst design. Presently, the fine-tuning of open-source large language models (LLMs) has yielded significant breakthroughs across various domains such as biology and healthcare. Drawing inspiration from these advancements, we introduce CataLM Cata}lytic Language Model), a large language model tailored to the domain of electrocatalytic materials. Our findings demonstrate that CataLM exhibits remarkable potential for facilitating human-AI collaboration in catalyst knowledge exploration and design. To the best of our knowledge, CataLM stands as the pioneering LLM dedicated to the catalyst domain, offering novel avenues for catalyst discovery and development.

cs.LG↗
arXiv2024

Prioritizing High-Precision Photometric Monitoring of Exoplanet and Brown Dwarf Companions with JWST -- Strategic Exoplanet Initiatives with HST and JWST White Paper

We advocate for the prioritization of high-precision photometric monitoring of exoplanet and brown dwarf companions to detect brightness variability arising from features in their atmospheres. Measurements of photometric variability provide not only an insight into the physical appearances of these companions, but are also a direct probe of their atmospheric structures and dynamics, and yield valuable estimates of their rotation periods. JWST is uniquely capable of monitoring faint exoplanet companions over their full rotation periods, thanks to its inherent stability and powerful high-contrast coronagraphic imaging modes. Rotation period measurements can be further combined with measurements of v sin i obtained using high-resolution spectroscopy to infer the viewing angle of a companion. Photometric monitoring over multiple rotation periods and at multiple epochs will allow both short- and long-term time evolution in variability signals to be traced. Furthermore, the differences between the layers in a companion's atmosphere can be probed by obtaining simultaneous photometric monitoring at different wavelengths through NIRCam dual-band coronagraphy. Overall, JWST will reach the highest sensitivities to variability to date and enable the light curves of substellar companions to be characterised with unprecedented cadence and precision at the sub-percent level.

astro-ph.IM↗
arXiv2024

Some properties of generalized cluster algebras of geometric types

We study the lower bound algebras generated by the generalized projective cluster variables of acyclic generalized cluster algebras of geometric types. We prove that this lower bound algebra coincides with the corresponding generalized cluster algebra under the coprimality condition. As a corollary, we obtain the dual PBW bases of these generalized cluster algebras. Moreover, we show that if the standard monomials of a generalized cluster algebra of geometric type are linearly independent, then the directed graph associated to the initial generalized seed of this generalized cluster algebra does not have 3-cycles.

math.RA↗