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Xiaodong Liu

Publications and source records attributed to Xiaodong Liu.

At least 37 records · Page 2Linked to original sources

Scalable LLM Agent Tool Access in the Cloud

LLM agents increasingly rely on tool calling to act on external systems, and the Model Context Protocol (MCP) has quickly become its de facto interface. Operating MCP at cloud scale, however, becomes difficult. On the tool provider side, legacy services are not directly callable through MCP; the rapid protocol development also creates ongoing compatibility cost. On the agent side, the number of accessible tool is limited by the LLM context window and inference overhead; mounting a large tool set increases token usage and inference latency and can reduce task success rate. Moreover, for stateful MCP backends with multiple replicas, preserving session affinity increases client-side complexity. We present a cloud-scale gateway system for MCP service. It breaks the direct-connect model on the data plane and offloads legacy service integration, consolidating incompatible MCP variants, access control, tool recommendation, and session-aware routing to the gateway. Hybrid retrieval sustains 98% Top-15 recall; it scales agent tool access to 3,000+ with high tool selection accuracy, and reduces tool selection time by $8.9\times$ and token usage by $23.8\times$, with low per-call overhead, stable under scale-out. Finally, we share the lessons learned from deploying the gateway system in production.

cs.DC↗

GFlowRL: Scaling Distribution-Matching RL to Large Language Models

Generative Flow Networks (GFlowNets) offer a promising alternative to reward-maximizing reinforcement learning (RL) for large reasoning models, encouraging diverse reasoning paths by matching reward distributions rather than collapsing to dominant modes. Recent work shows promise on math and code, but scaling GFlowNet-style RL to modern post-training pipelines remains difficult: as model size, rollout horizon, reward noise, and distributed-systems complexity grow together, a learned prompt-conditional partition function becomes a source of gradient instability and engineering overhead rather than a useful normalizer. Through systematic analysis, we find that the learned partition function, previously treated as essential, can be replaced by an in-batch Monte Carlo estimate computed from the rollout group already required for training. We propose GFlowRL, a streamlined GFlowNet-style RL algorithm that removes the auxiliary partition network entirely while preserving the reward-distribution-matching objective, completed by two stabilizers: importance-sampling correction for rollout/trainer drift and asymmetric flow-gap clipping for outlier residuals. GFlowRL exceeds all counterparts on math, code, and adversarial red-teaming benchmarks, reaching a Codeforces rating of 2048 at the 14B scale (within 25 Elo of o3-mini) and attaining the highest average ASR@1 on AdvBench and HarmBench, outperforming the previous SOTA multi-turn attacker in a regime where FlowRL, a prior GFlowNet-style method, diverges. The same recipe transfers to all evaluated MoE configurations up to 235B parameters, where FlowRL again fails to converge. To our knowledge, GFlowRL is the first GFlowNet-style RL algorithm to scale stably across both dense and sparse architectures. Code will be at: https://github.com/microsoft/gflowrl

cs.CL↗

TA-SparseMG: Trend-Aware Sparse Forecasting via Multi-Scale Gating for Long-Term Time Series

Long-term time series forecasting finds extensive applications in domains such as power demand, traffic flow, meteorological observation, and renewable energy dispatch. Forecasting dynamically varying long-term time series poses inherent challenges, including statistical nonstationarity, local high-frequency disturbances, and coupled cross-period dependencies, which make it difficult for lightweight models to balance parameter efficiency and forecasting performance. To address this issue, this study presents TA-SparseMG, a lightweight cross-period forecasting model built on SparseTSF's sparse cross-period modeling framework. It incorporates three key modules: a trend-aware reversible instance normalization module, a scale-adaptive gated denoising module, and a multiscale gated-attention MLP forecasting module. The trend-aware normalization module captures input-window statistics and calibrates forecast-window distributions, effectively mitigating distribution shift. The scale-adaptive gated denoising module performs feature smoothing and residual suppression before period rearrangement, thereby reducing interference from high-frequency perturbations. The multiscale gated attention prediction module strengthens the prediction head's adaptive representational capacity via conditional gating and feature modulation. Extensive experiments across multiple LTSF benchmarks demonstrate that the proposed TA-SparseMG consistently achieves superior, stable performance. Ablation studies confirm that each module independently improves distribution adaptation, input robustness, and cross-period feature mapping capability.

cs.LG↗

Physics-Informed Neural Networks for the Time-Domain Maxwell Equations with Split-Field Perfectly Matched Layers

Physics informed neural networks (PINNs) incorporate Maxwell's equations, initial conditions, boundary conditions, and measurement data directly into the learning process, transforming the solution of partial differential equations into a constrained optimization problem. As such, PINNs are attracting increased attention in computational electromagnetics as an alternative to traditional time-domain solvers. This paper presents a PINN formulation for the time-domain Maxwell's equations incorporating split-field perfectly matched layers (PMLs). A key advantage of the split-field PML formulation is that the same governing equations can be applied in both the physical and PML regions, simplifying the PINN formulation and loss construction. The proposed approach is validated using one-dimensional and two-dimensional Gaussian pulse problems with PML. The PINN solutions show good agreement with analytical and finite-difference time-domain (FDTD) reference solutions, demonstrating the feasibility of combining PINNs with split-field PMLs for open-domain time-domain electromagnetic simulations.

math-ph↗

PaAno+: Multiscale Encoding and Cross-Variable Attention for Time Series Anomaly Detection

Time-series anomaly detection has significant practical value for industrial and medical monitoring, as well as other critical domains. Current Transformer- and large-model-based detection approaches incur excessive computational overhead, while existing lightweight alternatives are constrained by insufficient feature extraction and inadequate modeling of dependencies across multivariate variables. To mitigate the above drawbacks, this study develops a lightweight, efficient anomaly detection model, dubbed PaAno, within the patch-oriented representation learning paradigm. In the encoder module, a multiscale feature-extraction backbone is constructed using convolutional kernels with differentiated receptive fields to capture hierarchical temporal characteristics; subsequent cross-scale adaptive attention aggregation, combined with residual connection optimization, further stabilizes feature representation learning. A cross-variable fusion attention module is embedded to explicitly characterize inter-variable correlations, empowering the model to identify anomalous patterns amid intricate operational conditions. Moreover, a novel pretext task based on temporal patch-window sorting is customized to uncover intrinsic structural properties of time series, and triplet loss is leveraged to optimize the patch embedding space for enhanced feature discrimination. Extensive experiments on the TSB-AD benchmark demonstrate that the proposed PaAno achieves state-of-the-art detection accuracy on both univariate and multivariate tasks, yielding significant performance gains across evaluation metrics, including VUS-PR, relative to the original PaAno. Leveraging a compact network design, the presented model achieves favorable computational efficiency, enabling deployment on resource-limited terminals for real-time anomaly inference.

cs.LG↗

Weak-Driven Learning: How Weak Agents make Strong Agents Stronger

As post-training optimization becomes central to improving large language models, we observe a persistent saturation bottleneck: once models grow highly confident, further training yields diminishing returns. While existing methods continue to reinforce target predictions, we find that informative supervision signals remain latent in models' own historical weak states. Motivated by this observation, we propose WMSS (Weak Agents Can Make Strong Agents Stronger), a post-training paradigm that leverages weak checkpoints to guide continued optimization. By identifying recoverable learning gaps via entropy dynamics and reinforcing them through compensatory learning, WMSS enables strong agents to improve beyond conventional post-training saturation. Experiments on mathematical reasoning and code generation datasets show that agents trained with our approach achieve effective performance improvements, while incurring zero additional inference cost.

cs.AI↗

Jailbreak susceptibility prediction and mitigation via the behavioral geometry of models

Evaluating and mitigating a generative system's susceptibility to jailbreak attacks is critical to its safe deployment. Given the number of deployable systems, full per-configuration evaluation and optimization is impractical. In this paper, we formalize the behavioral geometry of a population of models that, by leveraging previously evaluated and defended models, supports both efficient susceptibility prediction and effective defense transfer across a population. We apply the framework to 79 models spanning 24 providers and to 100 system configurations of a single base model. Simple methods that use the behavioral geometry reach an AUPRC of $0.94$ for susceptibility detection with $\approx98\%$ fewer probes relative to a full evaluation. Using the behavioral geometry to select which model to transfer an optimized defense from outperforms same-provider assignment ($+2\%$, $p = 0.03$) at no additional probe cost, with a set of three models sufficient to cover the population. Results are robust to hyperparameter selection and judge.

cs.CR↗

Outlier Smoothing with Closed-Form Rotations for W4A4 Large Language Model Quantization

Large Language Models (LLMs) quantization facilitates deploying LLMs in resource-limited settings, but existing methods that combine incompatible gradient optimization and quantization truncation lead to serious convergence pathology. This prolongs quantization time and degrades LLMs' task performance. Our studies confirm that Straight-Through Estimator (STE) on Stiefel manifolds introduce non-smoothness and gradient noise, obstructing optimization convergence and blocking high-fidelity quantized LLM development despite extensive training. To tackle the above limitations, we propose SingleQuant, a single-pass quantization framework that decouples from quantization truncation, thereby eliminating the above non-smoothness and gradient noise factors. Specifically, SingleQuant constructs Alignment Rotation Transformation (ART) and Uniformity Rotation Transformation (URT) targeting distinct activation outliers, where ART achieves smoothing of outlier values via closed-form optimal rotations, and URT reshapes distributions through geometric mapping. Both matrices comprise strictly formulated Givens rotations with predetermined dimensions and rotation angles, enabling promising LLMs task performance within a short time. Experimental results demonstrate SingleQuant's superiority over the selected baselines across diverse tasks on 7B-70B LLMs. To be more precise, SingleQuant enables quantized LLMs to achieve higher task performance while necessitating less time for quantization. For example, when quantizing LLaMA-2-13B, SingleQuant achieves 1,400$\times$ quantization speedup and increases +0.57\% average task performance compared to the selected best baseline.

cs.LG↗

MultiBreak: A Scalable and Diverse Multi-turn Jailbreak Benchmark for Evaluating LLM Safety

We present MultiBreak, a scalable and diverse multi-turn jailbreak benchmark to evaluate large language model (LLM) safety. Multi-turn jailbreaks mimic natural conversational settings, making them easier to bypass safety-aligned LLM than single-turn jailbreaks. Existing multi-turn benchmarks are limited in size or rely heavily on templates, which restrict their diversity. To address this gap, we unify a wide range of harmful jailbreak intents, and introduce an active learning pipeline for expanding high-quality multi-turn adversarial prompts, where a generator is iteratively fine-tuned to produce stronger attack candidates, guided by uncertainty-based refinement. Our MultiBreak includes 10,389 multi-turn adversarial prompts, spans 2,665 distinct harmful intents, and covers the most diverse set of topics to date. Empirical evaluation shows that our benchmark achieves up to a 54.0 and 34.6 higher attack success rate (ASR)} than the second-best dataset on DeepSeek-R1-7B and GPT-4.1-mini, respectively. More importantly, safety evaluations suggest that diverse attack categories uncover fine-grained LLM vulnerabilities}, and categories that appear benign under single-turn can exhibit substantially higher adversarial effectiveness in multi-turn scenarios. These findings highlight persistent vulnerabilities of LLMs under realistic adversarial settings and establish MultiBreak as a scalable resource for advancing LLM safety.

cs.CL↗

A quantitative direct sampling method for inhomogeneities from multi-frequency backscattering measurements

The inverse scattering problem from the multi-frequency backscattering data is a long-standing open problem. We advance the theory by proving a local uniqueness result. Moreover, we introduce a direct sampling method for quantitatively reconstructing unknown inhomogeneities. Comprehensive numerical experiments validate the robustness, accuracy, and computational effectiveness of the proposed quantitative direct sampling method.

math.NA↗

Quantitative Direct Sampling for Initial Acoustic Sources

This paper addresses the challenge of quantitatively reconstructing initial acoustic sources from time-dependent wave measurements. We introduce novel indicator functions defined through spacetime integrals of acoustic data and carefully designed auxiliary functions. These indicators are foundational for both proving the uniqueness of source reconstruction and developing a quantitative direct sampling scheme. Our comprehensive numerical experiments demonstrate the robustness, accuracy, and computational efficiency of these methods, highlighting their potential for practical acoustic imaging applications.

math-ph↗

Interstellar Object 3I/ATLAS Observed from Mars by China's Tianwen-1 Spacecraft

China's Tianwen-1 Mars orbiter successfully imaged the third interstellar object, 3I/ATLAS, during its close encounter with Mars using the onboard HiRIC CMOS camera. This is China's first deep-space observation of an astronomical object. These observations constitute the first imaging of this object from a vantage point significantly out of its orbital plane, providing a unique constraint on dust dynamics. Three observing epochs between 2025 September 30 and October 3 reveal clear changes in coma and tail morphology driven by the rapidly evolving viewing geometry. Comparison with Finson-Probstein dust dynamical models indicates that the coma is dominated by large grains with solar radiation pressure parameter $β\approx 10^{-3} $ - $10^{-2}$, corresponding to grain sizes of a few 100s $μ$m. The extent of the sunward coma implies dust ejection velocities of $3$ - $10$ m s$^{-1}$. Despite the morphological evolution, the azimuthally averaged surface brightness profile remains nearly unchanged through the three epochs, transitioning from a radial slope near -1 close to the nucleus to slightly steeper than -1.5 at larger cometocentric distances, consistent with steady-state dust outflow accelerated by solar radiation pressure. Photometry yields an average $Afρ\sim (2.0\pm0.2)\times10^4$ cm and a corresponding dust mass loss rate of $\dot{M} \sim 10^3$ kg s$^{-1}$.

astro-ph.EP↗

Does a Global Perspective Help Prune Sparse MoEs Elegantly?

Empirical scaling laws for language models have encouraged the development of ever-larger LLMs, despite their growing computational and memory costs. Sparse Mixture-of-Experts (MoEs) offer a promising alternative by activating only a subset of experts per forward pass, improving efficiency without sacrificing performance. However, the large number of expert parameters still leads to substantial memory consumption. Existing pruning methods typically allocate budgets uniformly across layers, overlooking the heterogeneous redundancy that arises in sparse MoEs. We propose GRAPE (Global Redundancy-Aware Pruning of Experts, a global pruning strategy that dynamically allocates pruning budgets based on cross-layer redundancy. Experiments on Mixtral-8x7B, Mixtral-8x22B, DeepSeek-MoE, Qwen-MoE, and GPT-OSS show that, under the same pruning budget, GRAPE consistently achieves the best average performance. On the three main models reported in the paper, it improves average accuracy over the strongest local baseline by 1.40% on average across pruning settings, with gains of up to 2.45%.

cs.CL↗

Inverse Obstacle Scattering from Multi-Frequency Near-Field Backscattering Data

This paper addresses the inverse obstacle scattering problem of simultaneously reconstructing the obstacle geometry and boundary conditions from multi-frequency near-field backscattering data. We first establish rigorous high-frequency asymptotic expansions for the scattered near-field, leveraging pseudo-differential operators (PDOs) to characterize the interaction between wavefront propagation and obstacle boundaries, where the principal symbol of the PDO governs the leading-order behavior of the scattering field. Based on these asymptotic results, we prove a global uniqueness theorem for the simultaneous recovery of the obstacle shape and impedance boundary condition under convexity assumptions. Furthermore, we develop a three-stage numerical reconstruction framework: (1) qualitative shape reconstruction via the direct sampling method; (2) quantitative boundary refinement via shape optimization; and (3) decoupled reconstruction of the boundary condition. A highlight of this algorithm is that all the three steps avoid computing the direct problem. Numerical experiments are presented to verify the robustness and efficiency of the proposed algorithm.

math.AP↗

A Radon-transform-based formula for reconstructing acoustic sources from the scattered fields

We propose a novel indicator function for reconstructing acoustic sources from multi-frequency near-field measurements. The theoretical basis is established by a formula relating the scattered field to the source function through the Radon transform. Such a representation enables us to recover the source function directly. The efficiency and robustness of the novel indicator function are verified by several numerical examples.

math-ph↗

Input-Adaptive Generative Dynamics in Diffusion Models

Diffusion models typically generate data through a fixed denoising trajectory that is shared across all samples. However, generation targets can differ in complexity, suggesting that a single pre-defined diffusion process may not be optimal for every input. In this work, we investigate input-adaptive generative dynamics for diffusion models, where the generation process itself adapts to the conditions of each sample. Instead of relying on a fixed diffusion trajectory, the proposed framework allows the generative dynamics to adjust across inputs according to their generation requirements. To enable this behavior, we train the diffusion backbone under varying horizons and noise schedules, so that it can operate consistently under different input-adaptive trajectories. Experiments on conditional image generation show that diffusion trajectories can vary across inputs while maintaining generation quality and reducing the average number of sampling steps. These results provide a proof of the concept that diffusion processes can benefit from input-adaptive generative dynamics rather than relying on a single fixed trajectory.

cs.CV↗

Mechanism Design via Market Clearing-Prices for Value Maximizers under Budget and RoS Constraints

The transition to auto-bidding in online advertising has shifted the focus of auction theory from quasi-linear utility maximization to value maximization subject to financial constraints. We study mechanism design for buyers with private budgets and private Return-on-Spend (RoS) constraints, but public valuations, a setting motivated by modern advertising platforms where valuations are predicted via machine learning models. We introduce the extended Eisenberg-Gale program, a convex optimization framework generalized to incorporate RoS constraints. We demonstrate that the solution to this program is unique and characterizes the market's competitive equilibrium. Based on this theoretical analysis, we design a market-clearing mechanism and prove two key properties: (1) it is incentive-compatible with respect to financial constraints, making truthful reporting the optimal strategy; and (2) it achieves a tight 1/2-approximation of the first-best revenue benchmark, the maximum revenue of any feasible mechanism, regardless of IC. Finally, to enable practical implementation, we present a decentralized online algorithm. Ignoring logarithmic factors, we prove that under this algorithm, both the seller's revenue and each buyer's utility converge to the equilibrium benchmarks with a sublinear regret of $\tilde{O}(\sqrt{m})$ over $m$ auctions.

cs.GT↗

Training Large Reasoning Models Efficiently via Progressive Thought Encoding

Large reasoning models (LRMs) excel on complex problems but face a critical barrier to efficiency: reinforcement learning (RL) training requires long rollouts for outcome-based rewards, where autoregressive decoding dominates time and memory usage. While sliding-window cache strategies can bound memory, they disrupt long-context reasoning and degrade performance. We introduce Progressive Thought Encoding, a parameter-efficient fine-tuning method that enables LRMs to reason effectively under fixed-size caches. By progressively encoding intermediate reasoning into fixed-size vector representations, our approach eliminates the need to backpropagate through full-cache rollouts, thereby reducing memory usage, while maintaining constant memory during inference. Experiments on three models, including Qwen2.5-3B-Instruct, Qwen2.5-7B-Instruct, and DeepSeek-R1-Distill-Llama-8B, on six widely used challenging mathematical benchmarks show consistent gains: our method achieves +19.3% improvement over LoRA-based fine-tuning and +29.9% over LRMs without fine-tuning on average, with up to +23.4 accuracy improvement on AIME2024/2025 under the same tight cache budgets. These results demonstrate that Progressive Thought Encoding not only improves reasoning accuracy but also makes RL training of LRMs substantially more efficient and scalable under real-world memory constraints.

cs.LG↗