arXiv subjects

Shilong Wang

Publications and source records attributed to Shilong Wang.

At least 19 recordsLinked to original sources

arXiv2026

Agentic LLM Reasoning in a Self-Driving Laboratory for Air-Sensitive Lithium Halide Spinel Conductors

Self-driving laboratories promise to accelerate materials discovery. Yet current automated solid-state synthesis platforms are limited to ambient conditions, thereby precluding their use for air-sensitive materials. Here, we present A-Lab for Glovebox Powder Solid-state Synthesis (A-Lab GPSS), a robotic platform capable of synthesizing and characterizing air-sensitive inorganic materials under strict air-free conditions. By integrating an agentic AI framework into the A-Lab GPSS platform, we structure autonomous experimental design through abductive and inductive reasoning. We deploy this platform to explore the vast compositional space of lithium halide spinel solid-state ionic conductors. Across a synthesis campaign comprising 352 samples with diverse compositions, the system explores a broad chemical space, experimentally realizing 72% of the 171 possible pairwise combinations among the 19 metals considered in this study. Over the course of the campaign, the fraction of compositions exhibiting both good ionic conductivity (> 0.05 mS/cm) and high halide spinel phase purity increases from 1.33% in the first 75 agent-proposed samples to 5.33% in the final 75. Furthermore, by inspecting the AI's reasoning processes, we reveal distinct yet complementary discovery strategies: abductive reasoning interrogates abnormal observations within already explored regions, whereas inductive reasoning expands the search into broader, previously unvisited chemical space. This work establishes a scalable platform for the autonomous discovery of complex, air-sensitive solid-state materials.

cond-mat.mtrl-sci↗

arXiv2026

Thermodynamic accessibility of Li-Mn-Ti-O cation disordered rock-salt phases

Disordered rock-salt with Li-excess (DRX) cathode phases within the Li-Mn-Ti-O (LMTO) composition space have recently been extensively studied, as they promise to deliver exceptional energy density at low cost in Li-ion batteries. The continued development of LMTO DRX with improved power density and cycling stability requires optimization of the composition and particle size/morphology, which are determined by synthesis conditions such as annealing temperatures and hold times. These challenges motivate our investigation of the phase diagram of the LMTO rock-salt phase space, with a focus on understanding the stability of DRX by quantifying the order-disorder transition temperature ($T_\text{disord}$) as a function of composition. We harness first-principles calculations and X-ray diffraction experiments to establish the LMTO phase diagram, which lies within the LiMnO$_2$ -- Li$_2$MnO$_3$ -- Li$_2$TiO$_3$ pseudo-ternary. Our calculations predict that the LMTO phase diagram at elevated temperature ($700 - 1300$ C) is composed of three phases: DRX, orthorhombic LiMnO$_2$, and layered Li$_2$Mn$_\text{1-y}$Ti$_\text{y}$O$_3$ ($0 < \text{y} < 1$). $T_\text{disord}$ decreases significantly as off-stoichiometry is introduced to the end-point compositions, resulting in a eutectoid phase diagram. Importantly, a significant range of LMTO compositions containing small to moderate fractions of Li-excess and Ti doping (relative to LiMnO$_2$) have $T_\text{disord}$ spanning $700 - 900$ C. These temperatures are substantially lower than conventional DRX synthesis temperatures ($\geq 1000$ C), suggesting the promise of decreasing synthesis temperatures for specific DRX compositions. The compositions containing moderate to high fractions of Mn$^{4+}$ instead have much greater $T_\text{disord}$ and phase separation to layered Li$_2$MnO$_3$ becomes highly favored.

cond-mat.mtrl-sci↗

arXiv2025

SABlock: Semantic-Aware KV Cache Eviction with Adaptive Compression Block Size

The growing memory footprint of the Key-Value (KV) cache poses a severe scalability bottleneck for long-context Large Language Model (LLM) inference. While KV cache eviction has emerged as an effective solution by discarding less critical tokens, existing token-, block-, and sentence-level compression methods struggle to balance semantic coherence and memory efficiency. To this end, we introduce SABlock, a \underline{s}emantic-aware KV cache eviction framework with \underline{a}daptive \underline{block} sizes. Specifically, SABlock first performs semantic segmentation to align compression boundaries with linguistic structures, then applies segment-guided token scoring to refine token importance estimation. Finally, for each segment, a budget-driven search strategy adaptively determines the optimal block size that preserves semantic integrity while improving compression efficiency under a given cache budget. Extensive experiments on long-context benchmarks demonstrate that SABlock consistently outperforms state-of-the-art baselines under the same memory budgets. For instance, on Needle-in-a-Haystack (NIAH), SABlock achieves 99.9% retrieval accuracy with only 96 KV entries, nearly matching the performance of the full-cache baseline that retains up to 8K entries. Under a fixed cache budget of 1,024, SABlock further reduces peak memory usage by 46.28% and achieves up to 9.5x faster decoding on a 128K context length.

cs.CL↗

arXiv2025

Dara: Automated multiple-hypothesis phase identification and refinement from powder X-ray diffraction

Powder X-ray diffraction (XRD) is a foundational technique for characterizing crystalline materials. However, the reliable interpretation of XRD patterns, particularly in multiphase systems, remains a manual and expertise-demanding task. As a characterization method that only provides structural information, multiple reference phases can often be fit to a single pattern, leading to potential misinterpretation when alternative solutions are overlooked. To ease humans' efforts and address the challenge, we introduce Dara (Data-driven Automated Rietveld Analysis), a framework designed to automate the robust identification and refinement of multiple phases from powder XRD data. Dara performs an exhaustive tree search over all plausible phase combinations within a given chemical space and validates each hypothesis using a robust Rietveld refinement routine (BGMN). Key features include structural database filtering, automatic clustering of isostructural phases during tree expansion, peak-matching-based scoring to identify promising phases for refinement. When ambiguity exists, Dara generates multiple hypothesis which can then be decided between by human experts or with further characteriztion tools. By enhancing the reliability and accuracy of phase identification, Dara enables scalable analysis of realistic complex XRD patterns and provides a foundation for integration into multimodal characterization workflows, moving toward fully self-driving materials discovery.

cond-mat.mtrl-sci↗

arXiv2025

Li+/H+ exchange in solid-state oxide Li-ion conductors

Understanding the moisture stability of oxide Li-ion conductors is important for their practical applications in solid-state batteries. Unlike sulfide or halide conductors, oxide conductors generally better resist degradation when in contact with water, but can still undergo topotactic \ch{Li+}/\ch{H+} exchange (LHX). Here, we combine density functional theory (DFT) calculations with a machine-learning interatomic potential model to investigate the thermodynamic driving force of the LHX reaction for two representative oxide Li-ion conductor families: garnets and NASICONs. Li-stuffed garnets exhibit a strong driving force for proton exchange due to their high Li chemical potential. In contrast, NASICONs demonstrate a higher resistance against proton exchange due to the lower Li chemical potential and the lower O-H bond covalency for polyanion-bonded oxygens. Our findings reveal a critical trade-off: Li stuffing enhances conductivity but increases moisture susceptibility. This study underscores the importance of designing Li-ion conductors that possess both high conductivity and high stability in practical environments.

cond-mat.mtrl-sci↗

arXiv2025

Towards Communication-Efficient Decentralized Federated Graph Learning over Non-IID Data

Decentralized Federated Graph Learning (DFGL) overcomes potential bottlenecks of the parameter server in FGL by establishing a peer-to-peer (P2P) communication network among workers. However, while extensive cross-worker communication of graph node embeddings is crucial for DFGL training, it introduces substantial communication costs. Most existing works typically construct sparse network topologies or utilize graph neighbor sampling methods to alleviate the communication overhead in DFGL. Intuitively, integrating these methods may offer promise for doubly improving communication efficiency in DFGL. However, our preliminary experiments indicate that directly combining these methods leads to significant training performance degradation if they are jointly optimized. To address this issue, we propose Duplex, a unified framework that jointly optimizes network topology and graph sampling by accounting for their coupled relationship, thereby significantly reducing communication cost while enhancing training performance in DFGL. To overcome practical DFGL challenges, eg, statistical heterogeneity and dynamic network environments, Duplex introduces a learning-driven algorithm to adaptively determine optimal network topologies and graph sampling ratios for workers. Experimental results demonstrate that Duplex reduces completion time by 20.1%--48.8% and communication costs by 16.7%--37.6% to achieve target accuracy, while improving accuracy by 3.3%--7.9% under identical resource budgets compared to baselines.

cs.DC↗

arXiv2025

Mitigating Catastrophic Forgetting with Adaptive Transformer Block Expansion in Federated Fine-Tuning

Federated fine-tuning (FedFT) of large language models (LLMs) has emerged as a promising solution for adapting models to distributed data environments while ensuring data privacy. Existing FedFT methods predominantly utilize parameter-efficient fine-tuning (PEFT) techniques to reduce communication and computation overhead. However, they often fail to adequately address the catastrophic forgetting, a critical challenge arising from continual adaptation in distributed environments. The traditional centralized fine-tuning methods, which are not designed for the heterogeneous and privacy-constrained nature of federated environments, struggle to mitigate this issue effectively. Moreover, the challenge is further exacerbated by significant variation in data distributions and device capabilities across clients, which leads to intensified forgetting and degraded model generalization. To tackle these issues, we propose FedBE, a novel FedFT framework that integrates an adaptive transformer block expansion mechanism with a dynamic trainable-block allocation strategy. Specifically, FedBE expands trainable blocks within the model architecture, structurally separating newly learned task-specific knowledge from the original pre-trained representations. Additionally, FedBE dynamically assigns these trainable blocks to clients based on their data distributions and computational capabilities. This enables the framework to better accommodate heterogeneous federated environments and enhances the generalization ability of the model.Extensive experiments show that compared with existing federated fine-tuning methods, FedBE achieves 12-74% higher accuracy retention on general tasks after fine-tuning and a model convergence acceleration ratio of 1.9-3.1x without degrading the accuracy of downstream tasks.

cs.LG↗

arXiv2025

Efficient Federated Fine-Tuning of Large Language Models with Layer Dropout

Fine-tuning plays a crucial role in enabling pre-trained LLMs to evolve from general language comprehension to task-specific expertise. To preserve user data privacy, federated fine-tuning is often employed and has emerged as the de facto paradigm. However, federated fine-tuning is prohibitively inefficient due to the tension between LLM complexity and the resource constraint of end devices, incurring unaffordable fine-tuning overhead. Existing literature primarily utilizes parameter-efficient fine-tuning techniques to mitigate communication costs, yet computational and memory burdens continue to pose significant challenges for developers. This work proposes DropPEFT, an innovative federated PEFT framework that employs a novel stochastic transformer layer dropout method, enabling devices to deactivate a considerable fraction of LLMs layers during training, thereby eliminating the associated computational load and memory footprint. In DropPEFT, a key challenge is the proper configuration of dropout ratios for layers, as overhead and training performance are highly sensitive to this setting. To address this challenge, we adaptively assign optimal dropout-ratio configurations to devices through an exploration-exploitation strategy, achieving efficient and effective fine-tuning. Extensive experiments show that DropPEFT can achieve a 1.3-6.3\times speedup in model convergence and a 40%-67% reduction in memory footprint compared to state-of-the-art methods.

cs.LG↗

arXiv2025

A Survey on Trustworthy LLM Agents: Threats and Countermeasures

With the rapid evolution of Large Language Models (LLMs), LLM-based agents and Multi-agent Systems (MAS) have significantly expanded the capabilities of LLM ecosystems. This evolution stems from empowering LLMs with additional modules such as memory, tools, environment, and even other agents. However, this advancement has also introduced more complex issues of trustworthiness, which previous research focused solely on LLMs could not cover. In this survey, we propose the TrustAgent framework, a comprehensive study on the trustworthiness of agents, characterized by modular taxonomy, multi-dimensional connotations, and technical implementation. By thoroughly investigating and summarizing newly emerged attacks, defenses, and evaluation methods for agents and MAS, we extend the concept of Trustworthy LLM to the emerging paradigm of Trustworthy Agent. In TrustAgent, we begin by deconstructing and introducing various components of the Agent and MAS. Then, we categorize their trustworthiness into intrinsic (brain, memory, and tool) and extrinsic (user, agent, and environment) aspects. Subsequently, we delineate the multifaceted meanings of trustworthiness and elaborate on the implementation techniques of existing research related to these internal and external modules. Finally, we present our insights and outlook on this domain, aiming to provide guidance for future endeavors.

cs.MA↗

arXiv2025

G-Safeguard: A Topology-Guided Security Lens and Treatment on LLM-based Multi-agent Systems

Large Language Model (LLM)-based Multi-agent Systems (MAS) have demonstrated remarkable capabilities in various complex tasks, ranging from collaborative problem-solving to autonomous decision-making. However, as these systems become increasingly integrated into critical applications, their vulnerability to adversarial attacks, misinformation propagation, and unintended behaviors have raised significant concerns. To address this challenge, we introduce G-Safeguard, a topology-guided security lens and treatment for robust LLM-MAS, which leverages graph neural networks to detect anomalies on the multi-agent utterance graph and employ topological intervention for attack remediation. Extensive experiments demonstrate that G-Safeguard: (I) exhibits significant effectiveness under various attack strategies, recovering over 40% of the performance for prompt injection; (II) is highly adaptable to diverse LLM backbones and large-scale MAS; (III) can seamlessly combine with mainstream MAS with security guarantees. The code is available at https://github.com/wslong20/G-safeguard.

cs.CR↗

arXiv2024

A Robust Federated Learning Framework for Undependable Devices at Scale

In a federated learning (FL) system, many devices, such as smartphones, are often undependable (e.g., frequently disconnected from WiFi) during training. Existing FL frameworks always assume a dependable environment and exclude undependable devices from training, leading to poor model performance and resource wastage. In this paper, we propose FLUDE to effectively deal with undependable environments. First, FLUDE assesses the dependability of devices based on the probability distribution of their historical behaviors (e.g., the likelihood of successfully completing training). Based on this assessment, FLUDE adaptively selects devices with high dependability for training. To mitigate resource wastage during the training phase, FLUDE maintains a model cache on each device, aiming to preserve the latest training state for later use in case local training on an undependable device is interrupted. Moreover, FLUDE proposes a staleness-aware strategy to judiciously distribute the global model to a subset of devices, thus significantly reducing resource wastage while maintaining model performance. We have implemented FLUDE on two physical platforms with 120 smartphones and NVIDIA Jetson devices. Extensive experimental results demonstrate that FLUDE can effectively improve model performance and resource efficiency of FL training in undependable environments.

cs.LG↗

arXiv2024

Enhancing Federated Graph Learning via Adaptive Fusion of Structural and Node Characteristics

Federated Graph Learning (FGL) has demonstrated the advantage of training a global Graph Neural Network (GNN) model across distributed clients using their local graph data. Unlike Euclidean data (\eg, images), graph data is composed of nodes and edges, where the overall node-edge connections determine the topological structure, and individual nodes along with their neighbors capture local node features. However, existing studies tend to prioritize one aspect over the other, leading to an incomplete understanding of the data and the potential misidentification of key characteristics across varying graph scenarios. Additionally, the non-independent and identically distributed (non-IID) nature of graph data makes the extraction of these two data characteristics even more challenging. To address the above issues, we propose a novel FGL framework, named FedGCF, which aims to simultaneously extract and fuse structural properties and node features to effectively handle diverse graph scenarios. FedGCF first clusters clients by structural similarity, performing model aggregation within each cluster to form the shared structural model. Next, FedGCF selects the clients with common node features and aggregates their models to generate a common node model. This model is then propagated to all clients, allowing common node features to be shared. By combining these two models with a proper ratio, FedGCF can achieve a comprehensive understanding of the graph data and deliver better performance, even under non-IID distributions. Experimental results show that FedGCF improves accuracy by 4.94%-7.24% under different data distributions and reduces communication cost by 64.18%-81.25% to reach the same accuracy compared to baselines.

cs.LG↗

arXiv2024

CaT-GNN: Enhancing Credit Card Fraud Detection via Causal Temporal Graph Neural Networks

Credit card fraud poses a significant threat to the economy. While Graph Neural Network (GNN)-based fraud detection methods perform well, they often overlook the causal effect of a node's local structure on predictions. This paper introduces a novel method for credit card fraud detection, the \textbf{\underline{Ca}}usal \textbf{\underline{T}}emporal \textbf{\underline{G}}raph \textbf{\underline{N}}eural \textbf{N}etwork (CaT-GNN), which leverages causal invariant learning to reveal inherent correlations within transaction data. By decomposing the problem into discovery and intervention phases, CaT-GNN identifies causal nodes within the transaction graph and applies a causal mixup strategy to enhance the model's robustness and interpretability. CaT-GNN consists of two key components: Causal-Inspector and Causal-Intervener. The Causal-Inspector utilizes attention weights in the temporal attention mechanism to identify causal and environment nodes without introducing additional parameters. Subsequently, the Causal-Intervener performs a causal mixup enhancement on environment nodes based on the set of nodes. Evaluated on three datasets, including a private financial dataset and two public datasets, CaT-GNN demonstrates superior performance over existing state-of-the-art methods. Our findings highlight the potential of integrating causal reasoning with graph neural networks to improve fraud detection capabilities in financial transactions.

cs.LG↗

arXiv2024

NetSafe: Exploring the Topological Safety of Multi-agent Networks

Large language models (LLMs) have empowered nodes within multi-agent networks with intelligence, showing growing applications in both academia and industry. However, how to prevent these networks from generating malicious information remains unexplored with previous research on single LLM's safety be challenging to transfer. In this paper, we focus on the safety of multi-agent networks from a topological perspective, investigating which topological properties contribute to safer networks. To this end, we propose a general framework, NetSafe along with an iterative RelCom interaction to unify existing diverse LLM-based agent frameworks, laying the foundation for generalized topological safety research. We identify several critical phenomena when multi-agent networks are exposed to attacks involving misinformation, bias, and harmful information, termed as Agent Hallucination and Aggregation Safety. Furthermore, we find that highly connected networks are more susceptible to the spread of adversarial attacks, with task performance in a Star Graph Topology decreasing by 29.7%. Besides, our proposed static metrics aligned more closely with real-world dynamic evaluations than traditional graph-theoretic metrics, indicating that networks with greater average distances from attackers exhibit enhanced safety. In conclusion, our work introduces a new topological perspective on the safety of LLM-based multi-agent networks and discovers several unreported phenomena, paving the way for future research to explore the safety of such networks.

cs.MA↗

arXiv2024

Causal Deciphering and Inpainting in Spatio-Temporal Dynamics via Diffusion Model

Spatio-temporal (ST) prediction has garnered a De facto attention in earth sciences, such as meteorological prediction, human mobility perception. However, the scarcity of data coupled with the high expenses involved in sensor deployment results in notable data imbalances. Furthermore, models that are excessively customized and devoid of causal connections further undermine the generalizability and interpretability. To this end, we establish a causal framework for ST predictions, termed CaPaint, which targets to identify causal regions in data and endow model with causal reasoning ability in a two-stage process. Going beyond this process, we utilize the back-door adjustment to specifically address the sub-regions identified as non-causal in the upstream phase. Specifically, we employ a novel image inpainting technique. By using a fine-tuned unconditional Diffusion Probabilistic Model (DDPM) as the generative prior, we in-fill the masks defined as environmental parts, offering the possibility of reliable extrapolation for potential data distributions. CaPaint overcomes the high complexity dilemma of optimal ST causal discovery models by reducing the data generation complexity from exponential to quasi-linear levels. Extensive experiments conducted on five real-world ST benchmarks demonstrate that integrating the CaPaint concept allows models to achieve improvements ranging from 4.3% to 77.3%. Moreover, compared to traditional mainstream ST augmenters, CaPaint underscores the potential of diffusion models in ST enhancement, offering a novel paradigm for this field. Our project is available at https://anonymous.4open.science/r/12345-DFCC.

cs.CV↗

arXiv2024

Large Language Models Meet Text-Centric Multimodal Sentiment Analysis: A Survey

Compared to traditional sentiment analysis, which only considers text, multimodal sentiment analysis needs to consider emotional signals from multimodal sources simultaneously and is therefore more consistent with the way how humans process sentiment in real-world scenarios. It involves processing emotional information from various sources such as natural language, images, videos, audio, physiological signals, etc. However, although other modalities also contain diverse emotional cues, natural language usually contains richer contextual information and therefore always occupies a crucial position in multimodal sentiment analysis. The emergence of ChatGPT has opened up immense potential for applying large language models (LLMs) to text-centric multimodal tasks. However, it is still unclear how existing LLMs can adapt better to text-centric multimodal sentiment analysis tasks. This survey aims to (1) present a comprehensive review of recent research in text-centric multimodal sentiment analysis tasks, (2) examine the potential of LLMs for text-centric multimodal sentiment analysis, outlining their approaches, advantages, and limitations, (3) summarize the application scenarios of LLM-based multimodal sentiment analysis technology, and (4) explore the challenges and potential research directions for multimodal sentiment analysis in the future.

cs.CL↗

arXiv2024

Both Matter: Enhancing the Emotional Intelligence of Large Language Models without Compromising the General Intelligence

Emotional Intelligence (EI), consisting of emotion perception, emotion cognition and emotion expression, plays the critical roles in improving user interaction experience for the current large language model (LLM) based conversational general AI assistants. Previous works mainly focus on raising the emotion perception ability of them via naive fine-tuning on EI-related classification or regression tasks. However, this leads to the incomplete enhancement of EI and catastrophic forgetting of the general intelligence (GI). To this end, we first introduce \textsc{EiBench}, a large-scale collection of EI-related tasks in the text-to-text formation with task instructions that covers all three aspects of EI, which lays a solid foundation for the comprehensive EI enhancement of LLMs. Then a novel \underline{\textbf{Mo}}dular \underline{\textbf{E}}motional \underline{\textbf{I}}ntelligence enhancement method (\textbf{MoEI}), consisting of Modular Parameter Expansion and intra-inter modulation, is proposed to comprehensively enhance the EI of LLMs without compromise their GI. Extensive experiments on two representative LLM-based assistants, Flan-T5 and LLaMA-2-Chat, demonstrate the effectiveness of MoEI to improving EI while maintain GI.

cs.CL↗

arXiv2024

SAPT: A Shared Attention Framework for Parameter-Efficient Continual Learning of Large Language Models

The continual learning (CL) ability is vital for deploying large language models (LLMs) in the dynamic world. Existing methods devise the learning module to acquire task-specific knowledge with parameter-efficient tuning (PET) block and the selection module to pick out the corresponding one for the testing input, aiming at handling the challenges of catastrophic forgetting and knowledge transfer in CL. However, these methods tend to address only one of the challenges, ignoring the potential of aligning the two modules to effectively address catastrophic forgetting and knowledge transfer simultaneously. To this end, we propose a novel Shared Attention Framework (SAPT), to align the PET learning and selection via the Shared Attentive Learning \& Selection module. Extensive Experiments on two CL benchmarks demonstrate the superiority of SAPT. Moreover, SAPT consistently demonstrates its superiority when we scale it to different model sizes (from 770M to 13B), different model architectures (T5 and LLaMA-2) and unseen tasks.

cs.CL↗