arXiv subjects

Xiaoou Liu

Publications and source records attributed to Xiaoou Liu.

16 recordsLinked to original sources

arXiv2026

MASkills: Continual Skills Optimization for Multi-Agent LLM Systems

LLM-based multi-agent systems have shown strong performance on complex tasks, yet continual improvement from interaction experience remains challenging. Existing self-reflection methods build experience memories, but memories are mostly hard to invoke, refine, or scale, while agent skills offer a more actionable unit: structured procedural knowledge that specifies when to act, how to act, and which resources or tools to use. We introduce MASkills, a continual learning framework that optimizes multi-agent LLM systems through agent skills. MASkills presents a new agent-optimization pipeline that integrates skill-conditioned credit assignment, hierarchical credit aggregation, and momentum-smoothed optimization, enabling agent skill libraries to evolve through refinement, induction, consolidation, and pruning. Experiments on HotpotQA, LoCoMo, and GAIA demonstrate the effectiveness of MASkills across multiple agentic tasks. Our code is available at https://github.com/DaRL-GenAI/MASkills

cs.AI↗

arXiv2026

AndroidReality: How Far Are Mobile Agents from the Real World?

Mobile agents have achieved promising results on clean online benchmarks such as AndroidWorld, yet their performance often degrades sharply in real-world deployment due to environmental variations and imperfect interface conditions. In this work, we introduce AndroidReality, a perturbation-based framework for evaluating and improving the robustness of mobile agents. Through a Markov Decision Process (MDP) perspective, we organize real-world interface variability into a principled taxonomy of perturbations along three axes: state, transition, and action. Guided by this taxonomy, we build a perturbed mobile benchmark on top of AndroidWorld with realistic and controllable perturbation injections, enabling systematic robustness evaluation of mobile agents. Our evaluation reveals substantial robustness gaps and four recurring error categories, motivating a simple training-free Test-Time Introspective Recovery (TTIR) mechanism that mitigates these failures on both perturbed and clean settings. Together, these results position robustness as a missing dimension in mobile agent evaluation and establish benchmark perturbation as an effective tool for both stress testing and surfacing latent weaknesses of mobile agents.

cs.AI↗

arXiv2026

The Sim-to-Real Gap of Foundation Model Agents: A Unified MDP Perspective

Foundation model agents are increasingly deployed for real-world decision-making, but suffer from the sim-to-real gap. While robotics and classical control have mature frameworks to address this gap, the foundation model community is treating agent robustness as an entirely novel phenomenon. Our paper proposes formalizing the foundation model agent evaluation and training gap as a classical sim-to-real problem structured entirely around the four elements of a Markov Decision Process, including Observation, Action, Transition, and Reward. In this paper, we set a comprehensive research agenda that translates classical discrepancies into the foundation model domain and advocates for adopting established solutions like domain randomization. We provide concrete examples, such as a multilingual tool calling to demonstrate how severe observation space gaps lead to operationally invalid actions despite correct semantic intent. Ultimately, this agenda aims to drive a paradigm shift, yielding a unified vocabulary and standardized stress test benchmarks to foster a new generation of highly trustworthy agents for reliable real-world applications.

cs.AI↗

arXiv2026

Position: Uncertainty Quantification in LLMs is Just Unsupervised Clustering

Uncertainty Quantification (UQ) is widely regarded as the primary safeguard for deploying Large Language Models (LLMs) in high-stakes domains. However, we argue that the field suffers from a category error: mainstream UQ methods for LLMs are just unsupervised clustering algorithms. We demonstrate that most current approaches inherently quantify the internal consistency of the model's generations rather than their external correctness. Consequently, current methods are fundamentally blind to factual reality and fail to detect ``confident hallucinations,'' where models exhibit high confidence in stable but incorrect answers. Therefore, the current UQ methods may create a deceptive sense of safety when deploying the models with uncertainty. In detail, we identify three critical pathologies resulting from this dependence on internal state: a hyperparameter sensitivity crisis that renders deployment unsafe, an internal evaluation cycle that conflates stability with truth, and a fundamental lack of ground truth that forces reliance on unstable proxy metrics to evaluate uncertainty. To resolve this impasse, we advocate for a paradigm shift to UQ and outline a roadmap for the research community to adopt better evaluation metrics and settings, implement mechanism changes for native uncertainty, and anchor verification in objective truth, ensuring that model confidence serves as a reliable proxy for reality.

cs.CL↗

arXiv2026

Diagnosing Multi-step Reasoning Failures in Black-box LLMs via Stepwise Confidence Attribution

Large Language Models have achieved strong performance on reasoning tasks with objective answers by generating step-by-step solutions, but diagnosing where a multi-step reasoning trace might fail remains difficult. Confidence estimation offers a diagnostic signal, yet existing methods are restricted to final answers or require internal model access. In this paper, we introduce Stepwise Confidence Attribution (SCA), a framework for closed-source LLMs that assigns step-level confidence based only on generated reasoning traces. SCA applies the Information Bottleneck principle: steps aligning with consensus structures across correct solutions receive high confidence, while deviations are flagged as potentially erroneous. We propose two complementary methods: (1) NIBS, a non-parametric IB approach measuring consistency without graph structures, and (2) GIBS, a graph-based IB model that learns subgraphs through a differentiable mask to capture logical variability. Extensive experiments on mathematical reasoning and multi-hop question answering show that SCA reliably identifies low-confidence steps strongly correlated with reasoning errors. Moreover, using step-level confidence to guide self-correction improves the correction success rate by up to 13.5\% over answer-level feedback.

cs.CL↗

arXiv2026

LangMARL: Natural Language Multi-Agent Reinforcement Learning

Large language model (LLM) agents struggle to autonomously evolve coordination strategies in dynamic environments, largely because coarse global outcomes obscure the causal signals needed for local policy refinement. We identify this bottleneck as a multi-agent credit assignment problem, which has long been studied in classical multi-agent reinforcement learning (MARL) but remains underaddressed in LLM-based systems. Building on this observation, we propose LangMARL, a framework that brings credit assignment and policy gradient evolution from cooperative MARL into the language space. LangMARL introduces agent-level language credit assignment, pioneers gradient evolution in language space for policy improvement, and summarizes task-relevant causal relations from replayed trajectories to provide dense feedback and improve convergence under sparse rewards. Extensive experiments across diverse cooperative multi-agent tasks demonstrate improved sample efficiency, interpretability, and strong generalization.

cs.CL↗

arXiv2026

SELAUR: Self Evolving LLM Agent via Uncertainty-aware Rewards

Large language models (LLMs) are increasingly deployed as multi-step decision-making agents, where effective reward design is essential for guiding learning. Although recent work explores various forms of reward shaping and step-level credit assignment, a key signal remains largely overlooked: the intrinsic uncertainty of LLMs. Uncertainty reflects model confidence, reveals where exploration is needed, and offers valuable learning cues even in failed trajectories. We introduce SELAUR: Self Evolving LLM Agent via Uncertainty-aware Rewards, a reinforcement learning framework that incorporates uncertainty directly into the reward design. SELAUR integrates entropy-, least-confidence-, and margin-based metrics into a combined token-level uncertainty estimate, providing dense confidence-aligned supervision, and employs a failure-aware reward reshaping mechanism that injects these uncertainty signals into step- and trajectory-level rewards to improve exploration efficiency and learning stability. Experiments on two benchmarks, ALFWorld and WebShop, show that our method consistently improves success rates over strong baselines. Ablation studies further demonstrate how uncertainty signals enhance exploration and robustness.

cs.LG↗

arXiv2026

Conformal Feedback Alignment: Quantifying Answer-Level Reliability for Robust LLM Alignment

Preference-based alignment like Reinforcement Learning from Human Feedback (RLHF) learns from pairwise preferences, yet the labels are often noisy and inconsistent. Existing uncertainty-aware approaches weight preferences, but ignore a more fundamental factor: the reliability of the \emph{answers} being compared. To address the problem, we propose Conformal Feedback Alignment (CFA), a framework that grounds preference weighting in the statistical guarantees of Conformal Prediction (CP). CFA quantifies answer-level reliability by constructing conformal prediction sets with controllable coverage and aggregates these reliabilities into principled weights for both DPO- and PPO-style training. Experiments across different datasets show that CFA improves alignment robustness and data efficiency, highlighting that modeling \emph{answer-side} uncertainty complements preference-level weighting and yields more robust, data-efficient alignment. Codes are provided here.

cs.LG↗

arXiv2025

Foundation Model in Biomedicine

Foundation models, first introduced in 2021, refer to large-scale pretrained models (e.g., large language models (LLMs) and vision-language models (VLMs)) that learn from extensive unlabeled datasets through unsupervised methods, enabling them to excel in diverse downstream tasks. These models, like GPT, can be adapted to various applications such as question answering and visual understanding, outperforming task-specific AI models and earning their name due to broad applicability across fields. The development of biomedical foundation models marks a significant milestone in the use of artificial intelligence (AI) to understand complex biological phenomena and advance medical research and practice. This survey explores the potential of foundation models in diverse domains within biomedical fields, including computational biology, drug discovery and development, clinical informatics, medical imaging, and public health. The purpose of this survey is to inspire ongoing research in the application of foundation models to health science.

cs.LG↗

arXiv2025

Understanding the Uncertainty of LLM Explanations: A Perspective Based on Reasoning Topology

Understanding the uncertainty in large language model (LLM) explanations is important for evaluating their faithfulness and reasoning consistency, and thus provides insights into the reliability of LLM's output regarding a question. In this work, we propose a novel framework that quantifies uncertainty in LLM explanations through a reasoning topology perspective. By designing a structural elicitation strategy, we guide the LLMs to frame the explanations of an answer into a graph topology. This process decomposes the explanations into the knowledge related sub-questions and topology-based reasoning structures, which allows us to quantify uncertainty not only at the semantic level but also from the reasoning path. It further brings convenience to assess knowledge redundancy and provide interpretable insights into the reasoning process. Our method offers a systematic way to interpret the LLM reasoning, analyze limitations, and provide guidance for enhancing robustness and faithfulness. This work pioneers the use of graph-structured uncertainty measurement in LLM explanations and demonstrates the potential of topology-based quantification.

cs.CL↗

arXiv2025

VARMA-Enhanced Transformer for Time Series Forecasting

Transformer-based models have significantly advanced time series forecasting. Recent work, like the Cross-Attention-only Time Series transformer (CATS), shows that removing self-attention can make the model more accurate and efficient. However, these streamlined architectures may overlook the fine-grained, local temporal dependencies effectively captured by classical statistical models like Vector AutoRegressive Moving Average model (VARMA). To address this gap, we propose VARMAformer, a novel architecture that synergizes the efficiency of a cross-attention-only framework with the principles of classical time series analysis. Our model introduces two key innovations: (1) a dedicated VARMA-inspired Feature Extractor (VFE) that explicitly models autoregressive (AR) and moving-average (MA) patterns at the patch level, and (2) a VARMA-Enhanced Attention (VE-atten) mechanism that employs a temporal gate to make queries more context-aware. By fusing these classical insights into a modern backbone, VARMAformer captures both global, long-range dependencies and local, statistical structures. Through extensive experiments on widely-used benchmark datasets, we demonstrate that our model consistently outperforms existing state-of-the-art methods. Our work validates the significant benefit of integrating classical statistical insights into modern deep learning frameworks for time series forecasting.

cs.LG↗

arXiv2025

SalientFusion: Context-Aware Compositional Zero-Shot Food Recognition

Food recognition has gained significant attention, but the rapid emergence of new dishes requires methods for recognizing unseen food categories, motivating Zero-Shot Food Learning (ZSFL). We propose the task of Compositional Zero-Shot Food Recognition (CZSFR), where cuisines and ingredients naturally align with attributes and objects in Compositional Zero-Shot learning (CZSL). However, CZSFR faces three challenges: (1) Redundant background information distracts models from learning meaningful food features, (2) Role confusion between staple and side dishes leads to misclassification, and (3) Semantic bias in a single attribute can lead to confusion of understanding. Therefore, we propose SalientFusion, a context-aware CZSFR method with two components: SalientFormer, which removes background redundancy and uses depth features to resolve role confusion; DebiasAT, which reduces the semantic bias by aligning prompts with visual features. Using our proposed benchmarks, CZSFood-90 and CZSFood-164, we show that SalientFusion achieves state-of-the-art results on these benchmarks and the most popular general datasets for the general CZSL. The code is avaliable at https://github.com/Jiajun-RUC/SalientFusion.

cs.CV↗

arXiv2025

Uncertainty Quantification and Confidence Calibration in Large Language Models: A Survey

Large Language Models (LLMs) excel in text generation, reasoning, and decision-making, enabling their adoption in high-stakes domains such as healthcare, law, and transportation. However, their reliability is a major concern, as they often produce plausible but incorrect responses. Uncertainty quantification (UQ) enhances trustworthiness by estimating confidence in outputs, enabling risk mitigation and selective prediction. However, traditional UQ methods struggle with LLMs due to computational constraints and decoding inconsistencies. Moreover, LLMs introduce unique uncertainty sources, such as input ambiguity, reasoning path divergence, and decoding stochasticity, that extend beyond classical aleatoric and epistemic uncertainty. To address this, we introduce a new taxonomy that categorizes UQ methods based on computational efficiency and uncertainty dimensions (input, reasoning, parameter, and prediction uncertainty). We evaluate existing techniques, assess their real-world applicability, and identify open challenges, emphasizing the need for scalable, interpretable, and robust UQ approaches to enhance LLM reliability.

cs.CL↗

arXiv2025

Is Your Explanation Reliable: Confidence-Aware Explanation on Graph Neural Networks

Explaining Graph Neural Networks (GNNs) has garnered significant attention due to the need for interpretability, enabling users to understand the behavior of these black-box models better and extract valuable insights from their predictions. While numerous post-hoc instance-level explanation methods have been proposed to interpret GNN predictions, the reliability of these explanations remains uncertain, particularly in the out-of-distribution or unknown test datasets. In this paper, we address this challenge by introducing an explainer framework with the confidence scoring module ( ConfExplainer), grounded in theoretical principle, which is generalized graph information bottleneck with confidence constraint (GIB-CC), that quantifies the reliability of generated explanations. Experimental results demonstrate the superiority of our approach, highlighting the effectiveness of the confidence score in enhancing the trustworthiness and robustness of GNN explanations.

cs.LG↗

arXiv2025

Uncertainty Quantification of Large Language Models through Multi-Dimensional Responses

Large Language Models (LLMs) have demonstrated remarkable capabilities across various tasks due to large training datasets and powerful transformer architecture. However, the reliability of responses from LLMs remains a question. Uncertainty quantification (UQ) of LLMs is crucial for ensuring their reliability, especially in areas such as healthcare, finance, and decision-making. Existing UQ methods primarily focus on semantic similarity, overlooking the deeper knowledge dimensions embedded in responses. We introduce a multi-dimensional UQ framework that integrates semantic and knowledge-aware similarity analysis. By generating multiple responses and leveraging auxiliary LLMs to extract implicit knowledge, we construct separate similarity matrices and apply tensor decomposition to derive a comprehensive uncertainty representation. This approach disentangles overlapping information from both semantic and knowledge dimensions, capturing both semantic variations and factual consistency, leading to more accurate UQ. Our empirical evaluations demonstrate that our method outperforms existing techniques in identifying uncertain responses, offering a more robust framework for enhancing LLM reliability in high-stakes applications.

cs.CL↗

arXiv2025

MCQA-Eval: Efficient Confidence Evaluation in NLG with Gold-Standard Correctness Labels

Large Language Models (LLMs) require robust confidence estimation, particularly in critical domains like healthcare and law where unreliable outputs can lead to significant consequences. Despite much recent work in confidence estimation, current evaluation frameworks rely on correctness functions -- various heuristics that are often noisy, expensive, and possibly introduce systematic biases. These methodological weaknesses tend to distort evaluation metrics and thus the comparative ranking of confidence measures. We introduce MCQA-Eval, an evaluation framework for assessing confidence measures in Natural Language Generation (NLG) that eliminates dependence on an explicit correctness function by leveraging gold-standard correctness labels from multiple-choice datasets. MCQA-Eval enables systematic comparison of both internal state-based white-box (e.g. logit-based) and consistency-based black-box confidence measures, providing a unified evaluation methodology across different approaches. Through extensive experiments on multiple LLMs and widely used QA datasets, we report that MCQA-Eval provides efficient and more reliable assessments of confidence estimation methods than existing approaches.

cs.CL↗