arXiv subjects

Shuguang Chen

Publications and source records attributed to Shuguang Chen.

13 recordsLinked to original sources

arXiv2026

Signals: Trajectory Sampling and Triage for Agentic Interactions

Agentic applications based on large language models increasingly rely on multi-step interaction loops involving planning, action execution, and environment feedback. While such systems are now deployed at scale, improving them post-deployment remains challenging. Agent trajectories are voluminous and non-deterministic, and reviewing each one, whether through human review or auxiliary LLMs, is slow and cost-prohibitive. We propose a lightweight, signal-based framework for triaging agentic interaction trajectories. Our approach computes cheap, broadly applicable signals from live interactions and attaches them as structured attributes for trajectory triage, identifying interactions likely to be informative without affecting online agent behavior. We organize signals into a coarse-grained taxonomy spanning interaction (misalignment, stagnation, disengagement, satisfaction), execution (failure, loop), and environment (exhaustion), designed for computation without model calls. In a controlled annotation study on $τ$-bench, a widely used benchmark for tool-augmented agent evaluation, we show that signal-based sampling achieves an 82\% informativeness rate compared to 74\% for heuristic filtering and 54\% for random sampling, with a 1.52x efficiency gain per informative trajectory. The advantage is robust across reward strata and task domains, confirming that signals provide genuine per-trajectory informativeness gains rather than merely oversampling obvious failures. These results show that lightweight signals can serve as practical sampling infrastructure for agentic systems, and suggest a path toward preference data construction and post-deployment optimization.

cs.AI↗

arXiv2026

A Graph Neural Network-Based Approach to XANES Data Analysis

X-ray absorption spectroscopy (XAS) is an indispensable tool to characterize the atomic-scale three-dimensional local structure of the system, in which XANES is the most important energy region to reflect the three-dimensional structure. However quantitative analysis of three-dimensional structure from XANES requires users to have a deep understanding and accurate judgment of structural information and summarize several structural parameters, which is often difficult to achieve. In this work, We construct \textbf{physics-informed Graph neural network} and \textbf{Transformer} models for calculating XANES from the input three-dimensional structure; we improve the efficiency of the model based on the physical meaning of XAS; then we combine the model and optimization algorithm to fit the three-dimensional structure of given system. This method does not require users to summarize the structural parameters, has wide application range. It can be applied to the three-dimensional structure analysis of solid materials and has positive significance for the study of structure-function relationship in the fields of energy and catalysis. In addition, this method is expected to be developed into an online three-dimensional structure analysis method for XAS related beamlines.

physics.chem-ph↗

arXiv2025

A foundation machine learning potential with polarizable long-range interactions for materials modelling

Long-range interactions are essential determinants of chemical system behaviour across diverse environments. We present a foundation framework that integrates explicit polarizable long-range physics with an equivariant graph neural network potential. It employs a physically motivated polarizable charge equilibration scheme that directly optimizes electrostatic interaction energies rather than partial charges. The foundation model, trained across the periodic table up to Pu, demonstrates strong performance across key materials modelling challenges. It effectively captures long-range interactions that are challenging for traditional message-passing mechanisms and accurately reproduces polarization effects under external electric fields. We have applied the model to mechanical properties, ionic diffusivity in solid-state electrolytes, ferroelectric phase transitions, and reactive dynamics at electrode-electrolyte interfaces, highlighting the model's capacity to balance accuracy and computational efficiency. Furthermore, we show that as a foundation model, it can be efficiently finetuned to achieve high-level accuracy for specific challenging systems.

physics.chem-ph↗

arXiv2025

Arch-Router: Aligning LLM Routing with Human Preferences

With the rapid proliferation of large language models (LLMs) -- each optimized for different strengths, style, or latency/cost profile -- routing has become an essential technique to operationalize the use of different models. However, existing LLM routing approaches are limited in two key ways: they evaluate performance using benchmarks that often fail to capture human preferences driven by subjective evaluation criteria, and they typically select from a limited pool of models. In this work, we propose a preference-aligned routing framework that guides model selection by matching queries to user-defined domains (e.g., travel) or action types (e.g., image editing) -- offering a practical mechanism to encode preferences in routing decisions. Specifically, we introduce \textbf{Arch-Router}, a compact 1.5B model that learns to map queries to domain-action preferences for model routing decisions. Our approach also supports seamlessly adding new models for routing without requiring retraining or architectural modifications. Experiments on conversational datasets demonstrate that our approach achieves state-of-the-art (SOTA) results in matching queries with human preferences, outperforming top proprietary models. Our approach captures subjective evaluation criteria and makes routing decisions more transparent and flexible. Our model is available at: \texttt{https://huggingface.co/katanemo/Arch-Router-1.5B}.

cs.CL↗

arXiv2025

LLM Reasoning Engine: Specialized Training for Enhanced Mathematical Reasoning

Large Language Models (LLMs) have shown remarkable performance in various natural language processing tasks but face challenges in mathematical reasoning, where complex problem-solving requires both linguistic understanding and mathematical reasoning skills. Existing approaches to address this challenge often rely on ensemble methods and suffer from the problem of data scarcity in target domains. In this work, we present a novel method to enhance LLMs' capabilities in mathematical reasoning tasks. Motivated by the need to bridge this gap, our approach incorporates a question paraphrase strategy, which aims at diversifying the linguistic forms of mathematical questions to improve generalization. Additionally, specialized training objectives are employed to guide the model's learning process, focusing on enhancing its understanding of mathematical concepts and reasoning processes. We conduct experiments on four datasets using different LLMs, and demonstrate the effectiveness of our approach in improving LLMs' performance on mathematical reasoning tasks. Our findings underscore the significance of our methodology in the advancement of large language models and its potential implications for real-world applications that require mathematical reasoning abilities.

cs.CL↗

arXiv2024

Context-aware Adversarial Attack on Named Entity Recognition

In recent years, large pre-trained language models (PLMs) have achieved remarkable performance on many natural language processing benchmarks. Despite their success, prior studies have shown that PLMs are vulnerable to attacks from adversarial examples. In this work, we focus on the named entity recognition task and study context-aware adversarial attack methods to examine the model's robustness. Specifically, we propose perturbing the most informative words for recognizing entities to create adversarial examples and investigate different candidate replacement methods to generate natural and plausible adversarial examples. Experiments and analyses show that our methods are more effective in deceiving the model into making wrong predictions than strong baselines.

cs.CL↗

arXiv2023

Predictions of photophysical properties of phosphorescent platinum(II) complexes based on ensemble machine learning approach

Phosphorescent metal complexes have been under intense investigations as emissive dopants for energy efficient organic light emitting diodes (OLEDs). Among them, cyclometalated Pt(II) complexes are widespread triplet emitters with color-tunable emissions. To render their practical applications as OLED emitters, it is in great need to develop Pt(II) complexes with high radiative decay rate constant ($k_r$) and photoluminescence (PL) quantum yield. Thus, an efficient and accurate prediction tool is highly desirable. Here, we develop a general protocol for accurate predictions of emission wavelength, radiative decay rate constant, and PL quantum yield for phosphorescent Pt(II) emitters based on the combination of first-principles quantum mechanical method, machine learning (ML) and experimental calibration. A new dataset concerning phosphorescent Pt(II) emitters is constructed, with more than two hundred samples collected from the literature. Features containing pertinent electronic properties of the complexes are chosen. Our results demonstrate that ensemble learning models combined with stacking-based approaches exhibit the best performance, where the values of squared correlation coefficients ($R^2$), mean absolute error (MAE), and root mean square error (RMSE) are 0.96, 7.21 nm and 13.00 nm for emission wavelength prediction, and 0.81, 0.11 and 0.15 for PL quantum yield prediction. For radiative decay rate constant ($k_r$), the obtained value of $R^2$ is 0.67 while MAE and RMSE are 0.21 and 0.25 (both in log scale), respectively. The accuracy of the protocol is further confirmed using 24 recently reported Pt(II) complexes, which demonstrates its reliability for a broad palette of Pt(II) emitters.We expect this protocol will become a valuable tool, accelerating the rational design of novel OLED materials with desired properties.

cs.LG↗

arXiv2022

Style Transfer as Data Augmentation: A Case Study on Named Entity Recognition

In this work, we take the named entity recognition task in the English language as a case study and explore style transfer as a data augmentation method to increase the size and diversity of training data in low-resource scenarios. We propose a new method to effectively transform the text from a high-resource domain to a low-resource domain by changing its style-related attributes to generate synthetic data for training. Moreover, we design a constrained decoding algorithm along with a set of key ingredients for data selection to guarantee the generation of valid and coherent data. Experiments and analysis on five different domain pairs under different data regimes demonstrate that our approach can significantly improve results compared to current state-of-the-art data augmentation methods. Our approach is a practical solution to data scarcity, and we expect it to be applicable to other NLP tasks.

cs.CL↗

arXiv2022

A Simple Approach to Jointly Rank Passages and Select Relevant Sentences in the OBQA Context

In the open book question answering (OBQA) task, selecting the relevant passages and sentences from distracting information is crucial to reason the answer to a question. HotpotQA dataset is designed to teach and evaluate systems to do both passage ranking and sentence selection. Many existing frameworks use separate models to select relevant passages and sentences respectively. Such systems not only have high complexity in terms of the parameters of models but also fail to take the advantage of training these two tasks together since one task can be beneficial for the other one. In this work, we present a simple yet effective framework to address these limitations by jointly ranking passages and selecting sentences. Furthermore, we propose consistency and similarity constraints to promote the correlation and interaction between passage ranking and sentence selection.The experiments demonstrate that our framework can achieve competitive results with previous systems and outperform the baseline by 28\% in terms of exact matching of relevant sentences on the HotpotQA dataset.

cs.CL↗

arXiv2022

CALCS 2021 Shared Task: Machine Translation for Code-Switched Data

To date, efforts in the code-switching literature have focused for the most part on language identification, POS, NER, and syntactic parsing. In this paper, we address machine translation for code-switched social media data. We create a community shared task. We provide two modalities for participation: supervised and unsupervised. For the supervised setting, participants are challenged to translate English into Hindi-English (Eng-Hinglish) in a single direction. For the unsupervised setting, we provide the following language pairs: English and Spanish-English (Eng-Spanglish), and English and Modern Standard Arabic-Egyptian Arabic (Eng-MSAEA) in both directions. We share insights and challenges in curating the "into" code-switching language evaluation data. Further, we provide baselines for all language pairs in the shared task. The leaderboard for the shared task comprises 12 individual system submissions corresponding to 5 different teams. The best performance achieved is 12.67% BLEU score for English to Hinglish and 25.72% BLEU score for MSAEA to English.

cs.CL↗

arXiv2021

Can images help recognize entities? A study of the role of images for Multimodal NER

Multimodal named entity recognition (MNER) requires to bridge the gap between language understanding and visual context. While many multimodal neural techniques have been proposed to incorporate images into the MNER task, the model's ability to leverage multimodal interactions remains poorly understood. In this work, we conduct in-depth analyses of existing multimodal fusion techniques from different perspectives and describe the scenarios where adding information from the image does not always boost performance. We also study the use of captions as a way to enrich the context for MNER. Experiments on three datasets from popular social platforms expose the bottleneck of existing multimodal models and the situations where using captions is beneficial.

cs.CL↗

arXiv2021

Data Augmentation for Cross-Domain Named Entity Recognition

Current work in named entity recognition (NER) shows that data augmentation techniques can produce more robust models. However, most existing techniques focus on augmenting in-domain data in low-resource scenarios where annotated data is quite limited. In contrast, we study cross-domain data augmentation for the NER task. We investigate the possibility of leveraging data from high-resource domains by projecting it into the low-resource domains. Specifically, we propose a novel neural architecture to transform the data representation from a high-resource to a low-resource domain by learning the patterns (e.g. style, noise, abbreviations, etc.) in the text that differentiate them and a shared feature space where both domains are aligned. We experiment with diverse datasets and show that transforming the data to the low-resource domain representation achieves significant improvements over only using data from high-resource domains.

cs.CL↗

arXiv2021

Mitigating Temporal-Drift: A Simple Approach to Keep NER Models Crisp

Performance of neural models for named entity recognition degrades over time, becoming stale. This degradation is due to temporal drift, the change in our target variables' statistical properties over time. This issue is especially problematic for social media data, where topics change rapidly. In order to mitigate the problem, data annotation and retraining of models is common. Despite its usefulness, this process is expensive and time-consuming, which motivates new research on efficient model updating. In this paper, we propose an intuitive approach to measure the potential trendiness of tweets and use this metric to select the most informative instances to use for training. We conduct experiments on three state-of-the-art models on the Temporal Twitter Dataset. Our approach shows larger increases in prediction accuracy with less training data than the alternatives, making it an attractive, practical solution.

cs.CL↗