In Large Language Model (LLM) inference, Key-Value (KV) caches (KV-caches) are essential for reducing time complexity. However, they result in a linear increase in GPU memory as the context length grows. While recent work explores KV-cache eviction and compression policies to reduce memory usage, they often consider uniform KV-caches across all attention heads, leading to suboptimal performance. We introduce BaKlaVa, a method to allocate optimal memory for individual KV-caches across the model by estimating the importance of each KV-cache. Our empirical analysis demonstrates that not all KV-caches are equally critical for LLM performance. Using a one-time profiling approach, BaKlaVa assigns optimal memory budgets to each KV-cache. We evaluated our method on LLaMA-3-8B, and Qwen2.5-7B models, achieving up to a 70\% compression ratio while keeping baseline performance and delivering up to an order-of-magnitude accuracy improvement at higher compression levels.
In the field of chemical engineering, traditional data-processing and prediction methods face significant challenges. Machine-learning and large-language models (LLMs) also have their respective limitations. This paper explores the application of the Chain-of-Thought (CoT) reasoning model in chemical engineering, starting from 30 experimental data points. By integrating traditional surrogate models like Gaussian processes and random forests with powerful LLMs such as DeepSeek-R1, a hierarchical architecture is proposed. Two CoT-building methods, Large Language Model-Chain of Thought (LLM-CoT) and Machine Learning-Large Language Model-Chain of Thought (ML-LLM-CoT), are studied. The LLM-CoT combines local models DeepSeek-r1:14b and Qwen2:7b with Ollama. The ML-LLM-CoT integrates a pre-trained Gaussian ML model with the LLM-based CoT framework. Our results show that during construction, ML-LLM-CoT is more efficient. It only has 2 points that require rethink and a total of 4 rethink times, while LLM-CoT has 5 points that need to be re-thought and 34 total rethink times. In predicting the solubility of 20 molecules with dissimilar structures, the number of molecules with a prediction deviation higher than 100\% for the Gaussian model, LLM-CoT, and ML-LLM-CoT is 7, 6, and 4 respectively. These results indicate that ML-LLM-CoT performs better in controlling the number of high-deviation molecules, optimizing the average deviation, and achieving a higher success rate in solubility judgment, providing a more reliable method for chemical engineering and molecular property prediction. This study breaks through the limitations of traditional methods and offers new solutions for rapid property prediction and process optimization in chemical engineering.
We present TALKPLAY, a novel multimodal music recommendation system that reformulates recommendation as a token generation problem using large language models (LLMs). By leveraging the instruction-following and natural language generation capabilities of LLMs, our system effectively recommends music from diverse user queries while generating contextually relevant responses. While pretrained LLMs are primarily designed for text modality, TALKPLAY extends their scope through two key innovations: a multimodal music tokenizer that encodes audio features, lyrics, metadata, semantic tags, and playlist co-occurrence signals; and a vocabulary expansion mechanism that enables unified processing and generation of both linguistic and music-relevant tokens. By integrating the recommendation system directly into the LLM architecture, TALKPLAY transforms conventional systems by: (1) unifying previous two-stage conversational recommendation systems (recommendation engines and dialogue managers) into a cohesive end-to-end system, (2) effectively utilizing long conversational context for recommendation while maintaining strong performance in extended multi-turn interactions, and (3) generating natural language responses for seamless user interaction. Our qualitative and quantitative evaluation demonstrates that TALKPLAY significantly outperforms unimodal approaches based solely on text or listening history in both recommendation performance and conversational naturalness.
In the era of noisy intermediate-scale quantum (NISQ) computing, Quantum Neural Networks (QNNs) have emerged as a promising approach for various applications, yet their training is often hindered by barren plateaus (BPs), where gradient variance vanishes exponentially as the model size increases. To address this challenge, we propose a new Large Language Model (LLM)-driven search framework, AdaInit, that iteratively searches for optimal initial parameters of QNNs to maximize gradient variance and therefore mitigate BPs. Unlike conventional one-time initialization methods, AdaInit dynamically refines QNN's initialization using LLMs with adaptive prompting. Theoretical analysis of the Expected Improvement (EI) proves a supremum for the search, ensuring this process can eventually identify the optimal initial parameter of the QNN. Extensive experiments across four public datasets demonstrate that AdaInit significantly enhances QNN's trainability compared to classic initialization methods, validating its effectiveness in mitigating BPs.
We present an agentic, autonomous graph expansion framework that iteratively structures and refines knowledge in situ. Unlike conventional knowledge graph construction methods relying on static extraction or single-pass learning, our approach couples a reasoning-native large language model with a continually updated graph representation. At each step, the system actively generates new concepts and relationships, merges them into a global graph, and formulates subsequent prompts based on its evolving structure. Through this feedback-driven loop, the model organizes information into a scale-free network characterized by hub formation, stable modularity, and bridging nodes that link disparate knowledge clusters. Over hundreds of iterations, new nodes and edges continue to appear without saturating, while centrality measures and shortest path distributions evolve to yield increasingly distributed connectivity. Our analysis reveals emergent patterns, such as the rise of highly connected 'hub' concepts and the shifting influence of 'bridge' nodes, indicating that agentic, self-reinforcing graph construction can yield open-ended, coherent knowledge structures. Applied to materials design problems, we present compositional reasoning experiments by extracting node-specific and synergy-level principles to foster genuinely novel knowledge synthesis, yielding cross-domain ideas that transcend rote summarization and strengthen the framework's potential for open-ended scientific discovery. We discuss other applications in scientific discovery and outline future directions for enhancing scalability and interpretability.
Large language model (LLM) applications are evolving beyond simple chatbots into dynamic, general-purpose agentic programs, which scale LLM calls and output tokens to help AI agents reason, explore, and solve complex tasks. However, existing LLM serving systems ignore dependencies between programs and calls, missing significant opportunities for optimization. Our analysis reveals that programs submitted to LLM serving engines experience long cumulative wait times, primarily due to head-of-line blocking at both the individual LLM request and the program. To address this, we introduce Autellix, an LLM serving system that treats programs as first-class citizens to minimize their end-to-end latencies. Autellix intercepts LLM calls submitted by programs, enriching schedulers with program-level context. We propose two scheduling algorithms-for single-threaded and distributed programs-that preempt and prioritize LLM calls based on their programs' previously completed calls. Our evaluation demonstrates that across diverse LLMs and agentic workloads, Autellix improves throughput of programs by 4-15x at the same latency compared to state-of-the-art systems, such as vLLM.
Despite the prevalence of sleep-tracking devices, many individuals struggle to translate data into actionable improvements in sleep health. Current methods often provide data-driven suggestions but may not be feasible and adaptive to real-life constraints and individual contexts. We present HealthGuru, a novel large language model-powered chatbot to enhance sleep health through data-driven, theory-guided, and adaptive recommendations with conversational behavior change support. HealthGuru's multi-agent framework integrates wearable device data, contextual information, and a contextual multi-armed bandit model to suggest tailored sleep-enhancing activities. The system facilitates natural conversations while incorporating data-driven insights and theoretical behavior change techniques. Our eight-week in-the-wild deployment study with 16 participants compared HealthGuru to a baseline chatbot. Results show improved metrics like sleep duration and activity scores, higher quality responses, and increased user motivation for behavior change with HealthGuru. We also identify challenges and design considerations for personalization and user engagement in health chatbots.
Large Language Model (LLM) agents have become increasingly prevalent across various real-world applications. They enhance decision-making by storing private user-agent interactions in the memory module for demonstrations, introducing new privacy risks for LLM agents. In this work, we systematically investigate the vulnerability of LLM agents to our proposed Memory EXTRaction Attack (MEXTRA) under a black-box setting. To extract private information from memory, we propose an effective attacking prompt design and an automated prompt generation method based on different levels of knowledge about the LLM agent. Experiments on two representative agents demonstrate the effectiveness of MEXTRA. Moreover, we explore key factors influencing memory leakage from both the agent designer's and the attacker's perspectives. Our findings highlight the urgent need for effective memory safeguards in LLM agent design and deployment.
Smart contracts are essential to decentralized finance (DeFi) and blockchain ecosystems but are increasingly vulnerable to exploits due to coding errors and complex attack vectors. Traditional static analysis tools and existing vulnerability detection methods often fail to address these challenges comprehensively, leading to high false-positive rates and an inability to detect dynamic vulnerabilities. This paper introduces SmartLLM, a novel approach leveraging fine-tuned LLaMA 3.1 models with Retrieval-Augmented Generation (RAG) to enhance the accuracy and efficiency of smart contract auditing. By integrating domain-specific knowledge from ERC standards and employing advanced techniques such as QLoRA for efficient fine-tuning, SmartLLM achieves superior performance compared to static analysis tools like Mythril and Slither, as well as zero-shot large language model (LLM) prompting methods such as GPT-3.5 and GPT-4. Experimental results demonstrate a perfect recall of 100% and an accuracy score of 70%, highlighting the model's robustness in identifying vulnerabilities, including reentrancy and access control issues. This research advances smart contract security by offering a scalable and effective auditing solution, supporting the secure adoption of decentralized applications.
Role-Playing Agent (RPA) is an increasingly popular type of LLM Agent that simulates human-like behaviors in a variety of tasks. However, evaluating RPAs is challenging due to diverse task requirements and agent designs. This paper proposes an evidence-based, actionable, and generalizable evaluation design guideline for LLM-based RPA by systematically reviewing 1,676 papers published between Jan. 2021 and Dec. 2024. Our analysis identifies six agent attributes, seven task attributes, and seven evaluation metrics from existing literature. Based on these findings, we present an RPA evaluation design guideline to help researchers develop more systematic and consistent evaluation methods.
Usability testing is a fundamental yet challenging (e.g., inflexible to iterate the study design flaws and hard to recruit study participants) research method for user experience (UX) researchers to evaluate a web design. Recent advances in Large Language Model-simulated Agent (LLM-Agent) research inspired us to design UXAgent to support UX researchers in evaluating and reiterating their usability testing study design before they conduct the real human subject study. Our system features an LLM-Agent module and a universal browser connector module so that UX researchers can automatically generate thousands of simulated users to test the target website. The results are shown in qualitative (e.g., interviewing how an agent thinks ), quantitative (e.g., # of actions), and video recording formats for UX researchers to analyze. Through a heuristic user evaluation with five UX researchers, participants praised the innovation of our system but also expressed concerns about the future of LLM Agent-assisted UX study.
The Large Language Model agent workflow enables the LLM to invoke tool functions to increase the performance on specific scientific domain questions. To tackle large scale of scientific research, it requires access to computing resource and parallel computing setup. In this work, we implemented Parsl to the LangChain/LangGraph tool call setup, to bridge the gap between the LLM agent to the computing resource. Two tool call implementations were set up and tested on both local workstation and HPC environment on Polaris/ALCF. The first implementation with Parsl-enabled LangChain tool node queues the tool functions concurrently to the Parsl workers for parallel execution. The second configuration is implemented by converting the tool functions into Parsl ensemble functions, and is more suitable for large task on super computer environment. The LLM agent workflow was prompted to run molecular dynamics simulations, with different protein structure and simulation conditions. These results showed the LLM agent tools were managed and executed concurrently by Parsl on the available computing resource.
Negation is a fundamental aspect of human communication, yet it remains a challenge for Language Models (LMs) in Information Retrieval (IR). Despite the heavy reliance of modern neural IR systems on LMs, little attention has been given to their handling of negation. In this study, we reproduce and extend the findings of NevIR, a benchmark study that revealed most IR models perform at or below the level of random ranking when dealing with negation. We replicate NevIR's original experiments and evaluate newly developed state-of-the-art IR models. Our findings show that a recently emerging category-listwise Large Language Model (LLM) re-rankers-outperforms other models but still underperforms human performance. Additionally, we leverage ExcluIR, a benchmark dataset designed for exclusionary queries with extensive negation, to assess the generalisability of negation understanding. Our findings suggest that fine-tuning on one dataset does not reliably improve performance on the other, indicating notable differences in their data distributions. Furthermore, we observe that only cross-encoders and listwise LLM re-rankers achieve reasonable performance across both negation tasks.
News recommender systems play a critical role in mitigating the information overload problem. In recent years, due to the successful applications of large language model technologies, researchers have utilized Discriminative Large Language Models (DLLMs) or Generative Large Language Models (GLLMs) to improve the performance of news recommender systems. Although several recent surveys review significant challenges for deep learning-based news recommender systems, such as fairness, privacy-preserving, and responsibility, there is a lack of a systematic survey on Large Language Model (LLM)-based news recommender systems. In order to review different core methodologies and explore potential issues systematically, we categorize DLLM-based and GLLM-based news recommender systems under the umbrella of LLM-based news recommender systems. In this survey, we first overview the development of deep learning-based news recommender systems. Then, we review LLM-based news recommender systems based on three aspects: news-oriented modeling, user-oriented modeling, and prediction-oriented modeling. Next, we examine the challenges from various perspectives, including datasets, benchmarking tools, and methodologies. Furthermore, we conduct extensive experiments to analyze how large language model technologies affect the performance of different news recommender systems. Finally, we comprehensively explore the future directions for LLM-based news recommendations in the era of LLMs.
While recent advancements in reasoning optimization have significantly enhanced the capabilities of large language models (LLMs), existing efforts to improve reasoning have been limited to solving mathematical problems and focusing on visual graphical inputs, neglecting broader applications in general video understanding.This paper proposes video-SALMONN-o1, the first open-source reasoning-enhanced audio-visual LLM designed for general video understanding tasks. To enhance its reasoning abilities, we develop a reasoning-intensive dataset featuring challenging audio-visual questions with step-by-step solutions. We also propose process direct preference optimization (pDPO), which leverages contrastive step selection to achieve efficient step-level reward modelling tailored for multimodal inputs. Additionally, we introduce RivaBench, the first reasoning-intensive video understanding benchmark, featuring over 4,000 high-quality, expert-curated question-answer pairs across scenarios such as standup comedy, academic presentations, and synthetic video detection. video-SALMONN-o1 achieves 3-8% accuracy improvements over the LLaVA-OneVision baseline across different video reasoning benchmarks. Besides, pDPO achieves 6-8% improvements compared to the supervised fine-tuning model on RivaBench. Enhanced reasoning enables video-SALMONN-o1 zero-shot synthetic video detection capabilities.
Multimodal Large Language Models (MLLMs) bridge the gap between visual and textual data, enabling a range of advanced applications. However, complex internal interactions among visual elements and their alignment with text can introduce vulnerabilities, which may be exploited to bypass safety mechanisms. To address this, we analyze the relationship between image content and task and find that the complexity of subimages, rather than their content, is key. Building on this insight, we propose the Distraction Hypothesis, followed by a novel framework called Contrasting Subimage Distraction Jailbreaking (CS-DJ), to achieve jailbreaking by disrupting MLLMs alignment through multi-level distraction strategies. CS-DJ consists of two components: structured distraction, achieved through query decomposition that induces a distributional shift by fragmenting harmful prompts into sub-queries, and visual-enhanced distraction, realized by constructing contrasting subimages to disrupt the interactions among visual elements within the model. This dual strategy disperses the model's attention, reducing its ability to detect and mitigate harmful content. Extensive experiments across five representative scenarios and four popular closed-source MLLMs, including GPT-4o-mini, GPT-4o, GPT-4V, and Gemini-1.5-Flash, demonstrate that CS-DJ achieves average success rates of 52.40% for the attack success rate and 74.10% for the ensemble attack success rate. These results reveal the potential of distraction-based approaches to exploit and bypass MLLMs' defenses, offering new insights for attack strategies.
Indoor scene synthesis aims to automatically produce plausible, realistic and diverse 3D indoor scenes, especially given arbitrary user requirements. Recently, the promising generalization ability of pre-trained large language models (LLM) assist in open-vocabulary indoor scene synthesis. However, the challenge lies in converting the LLM-generated outputs into reasonable and physically feasible scene layouts. In this paper, we propose to generate hierarchically structured scene descriptions with LLM and then compute the scene layouts. Specifically, we train a hierarchy-aware network to infer the fine-grained relative positions between objects and design a divide-and-conquer optimization to solve for scene layouts. The advantages of using hierarchically structured scene representation are two-fold. First, the hierarchical structure provides a rough grounding for object arrangement, which alleviates contradictory placements with dense relations and enhances the generalization ability of the network to infer fine-grained placements. Second, it naturally supports the divide-and-conquer optimization, by first arranging the sub-scenes and then the entire scene, to more effectively solve for a feasible layout. We conduct extensive comparison experiments and ablation studies with both qualitative and quantitative evaluations to validate the effectiveness of our key designs with the hierarchically structured scene representation. Our approach can generate more reasonable scene layouts while better aligned with the user requirements and LLM descriptions. We also present open-vocabulary scene synthesis and interactive scene design results to show the strength of our approach in the applications.
Recommender systems are essential components of many online platforms, yet traditional approaches still struggle with understanding complex user preferences and providing explainable recommendations. The emergence of Large Language Model (LLM)-powered agents offers a promising approach by enabling natural language interactions and interpretable reasoning, potentially transforming research in recommender systems. This survey provides a systematic review of the emerging applications of LLM-powered agents in recommender systems. We identify and analyze three key paradigms in current research: (1) Recommender-oriented approaches, which leverage intelligent agents to enhance the fundamental recommendation mechanisms; (2) Interaction-oriented approaches, which facilitate dynamic user engagement through natural dialogue and interpretable suggestions; and (3) Simulation-oriented approaches, which employ multi-agent frameworks to model complex user-item interactions and system dynamics. Beyond paradigm categorization, we analyze the architectural foundations of LLM-powered recommendation agents, examining their essential components: profile construction, memory management, strategic planning, and action execution. Our investigation extends to a comprehensive analysis of benchmark datasets and evaluation frameworks in this domain. This systematic examination not only illuminates the current state of LLM-powered agent recommender systems but also charts critical challenges and promising research directions in this transformative field.
Large Language Models (LLMs) face increasing loss spikes during scaling, undermining training stability and final performance. While gradient clipping mitigates this issue, traditional global approaches poorly handle parameter-specific gradient variations and decaying gradient norms. We propose **AdaGC**, an adaptive gradient clipping framework that automatically adjusts local thresholds per parameter through exponential moving average of gradient norms. Theoretical analysis proves AdaGC's convergence under non-convex conditions. Extensive experiments demonstrate significant improvements: On Llama-2 7B/13B, AdaGC completely eliminates loss spikes while reducing WikiText perplexity by 3.5% (+0.14pp LAMBADA accuracy) for 7B and achieving 0.65% lower training loss with 1.47% reduced validation perplexity for 13B compared to global clipping. For CLIP ViT-Base, AdaGC converges 25% faster than StableAdamW with full spike elimination. The method shows universal effectiveness across architectures (Llama-2 7B/13B) and modalities (CLIP), with successful integration into diverse optimizers like AdamW and Lion. Source code will be released on GitHub.
The rapid development of Multimodal Large Language Models (MLLMs) has enabled the integration of multiple modalities, including texts and images, within the large language model (LLM) framework. However, texts and images are usually interconnected, forming a multimodal attributed graph (MMAG). It is underexplored how MLLMs can incorporate the relational information (\textit{i.e.}, graph structure) and semantic information (\textit{i.e.,} texts and images) on such graphs for multimodal comprehension and generation. In this paper, we propose GraphGPT-o, which supports omni-multimodal understanding and creation on MMAGs. We first comprehensively study linearization variants to transform semantic and structural information as input for MLLMs. Then, we propose a hierarchical aligner that enables deep graph encoding, bridging the gap between MMAGs and MLLMs. Finally, we explore the inference choices, adapting MLLM to interleaved text and image generation in graph scenarios. Extensive experiments on three datasets from different domains demonstrate the effectiveness of our proposed method. Datasets and codes will be open-sourced upon acceptance.