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arXiv:2505.01484

LLM Watermarking Using Mixtures and Statistical-to-Computational Gaps

Given a text, can we determine whether it was generated by a large language model (LLM) or by a human? A widely studied approach to this problem is watermarking. We propose an undetectable and elementary watermarking scheme in the closed setting. Also, in the harder open setting, where the adversary has access to most of the model, we propose an unremovable watermarking scheme.

arXiv:2505.00951

Preserving Privacy and Utility in LLM-Based Product Recommendations

Large Language Model (LLM)-based recommendation systems leverage powerful language models to generate personalized suggestions by processing user interactions and preferences. Unlike traditional recommendation systems that rely on structured data and collaborative filtering, LLM-based models process textual and contextual information, often using cloud-based infrastructure. This raises privacy concerns, as user data is transmitted to remote servers, increasing the risk of exposure and reducing control over personal information. To address this, we propose a hybrid privacy-preserving recommendation framework which separates sensitive from nonsensitive data and only shares the latter with the cloud to harness LLM-powered recommendations. To restore lost recommendations related to obfuscated sensitive data, we design a de-obfuscation module that reconstructs sensitive recommendations locally. Experiments on real-world e-commerce datasets show that our framework achieves almost the same recommendation utility with a system which shares all data with an LLM, while preserving privacy to a large extend. Compared to obfuscation-only techniques, our approach improves HR@10 scores and category distribution alignment, offering a better balance between privacy and recommendation quality. Furthermore, our method runs efficiently on consumer-grade hardware, making privacy-aware LLM-based recommendation systems practical for real-world use.

arXiv:2505.03369

Validating the Effectiveness of a Large Language Model-based Approach for Identifying Children's Development across Various Free Play Settings in Kindergarten

Free play is a fundamental aspect of early childhood education, supporting children's cognitive, social, emotional, and motor development. However, assessing children's development during free play poses significant challenges due to the unstructured and spontaneous nature of the activity. Traditional assessment methods often rely on direct observations by teachers, parents, or researchers, which may fail to capture comprehensive insights from free play and provide timely feedback to educators. This study proposes an innovative approach combining Large Language Models (LLMs) with learning analytics to analyze children's self-narratives of their play experiences. The LLM identifies developmental abilities, while performance scores across different play settings are calculated using learning analytics techniques. We collected 2,224 play narratives from 29 children in a kindergarten, covering four distinct play areas over one semester. According to the evaluation results from eight professionals, the LLM-based approach achieved high accuracy in identifying cognitive, motor, and social abilities, with accuracy exceeding 90% in most domains. Moreover, significant differences in developmental outcomes were observed across play settings, highlighting each area's unique contributions to specific abilities. These findings confirm that the proposed approach is effective in identifying children's development across various free play settings. This study demonstrates the potential of integrating LLMs and learning analytics to provide child-centered insights into developmental trajectories, offering educators valuable data to support personalized learning and enhance early childhood education practices.

arXiv:2505.00530

Leveraging Partial SMILES Validation Scheme for Enhanced Drug Design in Reinforcement Learning Frameworks

SMILES-based molecule generation has emerged as a powerful approach in drug discovery. Deep reinforcement learning (RL) using large language model (LLM) has been incorporated into the molecule generation process to achieve high matching score in term of likelihood of desired molecule candidates. However, a critical challenge in this approach is catastrophic forgetting during the RL phase, where knowledge such as molecule validity, which often exceeds 99\% during pretraining, significantly deteriorates. Current RL algorithms applied in drug discovery, such as REINVENT, use prior models as anchors to retian pretraining knowledge, but these methods lack robust exploration mechanisms. To address these issues, we propose Partial SMILES Validation-PPO (PSV-PPO), a novel RL algorithm that incorporates real-time partial SMILES validation to prevent catastrophic forgetting while encouraging exploration. Unlike traditional RL approaches that validate molecule structures only after generating entire sequences, PSV-PPO performs stepwise validation at each auto-regressive step, evaluating not only the selected token candidate but also all potential branches stemming from the prior partial sequence. This enables early detection of invalid partial SMILES across all potential paths. As a result, PSV-PPO maintains high validity rates even during aggressive exploration of the vast chemical space. Our experiments on the PMO and GuacaMol benchmark datasets demonstrate that PSV-PPO significantly reduces the number of invalid generated structures while maintaining competitive exploration and optimization performance. While our work primarily focuses on maintaining validity, the framework of PSV-PPO can be extended in future research to incorporate additional forms of valuable domain knowledge, further enhancing reinforcement learning applications in drug discovery.

arXiv:2504.19649

Intelligent4DSE: Optimizing High-Level Synthesis Design Space Exploration with Graph Neural Networks and Large Language Models

High-level synthesis (HLS) design space exploration (DSE) is an optimization process in electronic design automation (EDA) that systematically explores high-level design configurations to achieve Pareto-optimal hardware implementations balancing performance, area, and power (PPA). To optimize this process, HLS prediction tasks often employ message-passing neural networks (MPNNs), leveraging complex architectures to achieve high accuracy. These predictors serve as evaluators in the DSE process, effectively bypassing the time-consuming estimations traditionally required by HLS tools. However, existing models often prioritize structural complexity and minimization of training loss, overlooking task-specific characteristics. Additionally, while evolutionary algorithms are widely used in DSE, they typically require extensive domain-specific knowledge to design effective crossover and mutation operators. To address these limitations, we propose CoGNNs-LLMEA, a framework that integrates a graph neural network with task-adaptive message passing and a large language model-enhanced evolutionary algorithm. As a predictive model, CoGNNs directly leverages intermediate representations generated from source code after compiler front-end processing, enabling prediction of quality of results (QoR) without invoking HLS tools. Due to its strong adaptability to tasks, CoGNNs can be tuned to predict post-HLS and post-implementation outcomes, effectively bridging the gap between high-level abstractions and physical implementation characteristics. CoGNNs achieves state-of-the-art prediction accuracy in post-HLS QoR prediction, reducing mean prediction errors by 2.8$\times$ for latency and 3.4$\times$ for resource utilization compared to baseline models.

arXiv:2504.14365

Accelerating LLM Inference with Flexible N:M Sparsity via A Fully Digital Compute-in-Memory Accelerator

Large language model (LLM) pruning with fixed N:M structured sparsity significantly limits the expressivity of the sparse model, yielding sub-optimal performance. In contrast, supporting multiple N:M patterns to provide sparse representational freedom introduces costly overhead in hardware. To address these challenges for LLMs, we first present a flexible layer-wise outlier-density-aware N:M sparsity (FLOW) selection method. FLOW enables the identification of optimal layer-wise N and M values (from a given range) by simultaneously accounting for the presence and distribution of outliers, allowing a higher degree of representational freedom. To deploy sparse models with such N:M flexibility, we then introduce a flexible, low-overhead digital compute-in-memory architecture (FlexCiM). FlexCiM supports diverse sparsity patterns by partitioning a digital CiM (DCiM) macro into smaller sub-macros, which are adaptively aggregated and disaggregated through distribution and merging mechanisms for different N and M values. Extensive experiments on both transformer-based and recurrence-based state space foundation models (SSMs) demonstrate that FLOW outperforms existing alternatives with an accuracy improvement of up to 36%, while FlexCiM achieves up to 1.75x lower inference latency and 1.5x lower energy consumption compared to existing sparse accelerators. Code is available at: https://github.com/FLOW-open-project/FLOW

arXiv:2504.14152

FGMP: Fine-Grained Mixed-Precision Weight and Activation Quantization for Hardware-Accelerated LLM Inference

Quantization is a powerful tool to improve large language model (LLM) inference efficiency by utilizing more energy-efficient low-precision datapaths and reducing memory footprint. However, accurately quantizing LLM weights and activations to low precision is challenging without degrading model accuracy. We propose fine-grained mixed precision (FGMP) quantization, a post-training mixed-precision quantization hardware-software co-design methodology that maintains accuracy while quantizing the majority of weights and activations to reduced precision. Our work makes the following contributions: 1) We develop a policy that uses the perturbation in each value, weighted by the Fisher information, to select which weight and activation blocks to keep in higher precision. This approach preserves accuracy by identifying which weight and activation blocks need to be retained in higher precision to minimize the perturbation in the model loss. 2) We also propose a sensitivity-weighted clipping approach for fine-grained quantization which helps retain accuracy for blocks that are quantized to low precision. 3) We then propose hardware augmentations to leverage the efficiency benefits of FGMP quantization. Our hardware implementation encompasses i) datapath support for FGMP at block granularity, and ii) a mixed-precision activation quantization unit to assign activation blocks to high or low precision on the fly with minimal runtime and energy overhead. Our design, prototyped using NVFP4 (an FP4 format with microscaling) as the low-precision datatype and FP8 as the high-precision datatype, facilitates efficient FGMP quantization, attaining <1% perplexity degradation on Wikitext-103 for the Llama-2-7B model relative to an all-FP8 baseline design while consuming 14% less energy during inference and requiring 30% less weight memory.

arXiv:2505.03739공식 코드 · Papers with Code

VITA-Audio: Fast Interleaved Cross-Modal Token Generation for Efficient Large Speech-Language Model

With the growing requirement for natural human-computer interaction, speech-based systems receive increasing attention as speech is one of the most common forms of daily communication. However, the existing speech models still experience high latency when generating the first audio token during streaming, which poses a significant bottleneck for deployment. To address this issue, we propose VITA-Audio, an end-to-end large speech model with fast audio-text token generation. Specifically, we introduce a lightweight Multiple Cross-modal Token Prediction (MCTP) module that efficiently generates multiple audio tokens within a single model forward pass, which not only accelerates the inference but also significantly reduces the latency for generating the first audio in streaming scenarios. In addition, a four-stage progressive training strategy is explored to achieve model acceleration with minimal loss of speech quality. To our knowledge, VITA-Audio is the first multi-modal large language model capable of generating audio output during the first forward pass, enabling real-time conversational capabilities with minimal latency. VITA-Audio is fully reproducible and is trained on open-source data only. Experimental results demonstrate that our model achieves an inference speedup of 3~5x at the 7B parameter scale, but also significantly outperforms open-source models of similar model size on multiple benchmarks for automatic speech recognition (ASR), text-to-speech (TTS), and spoken question answering (SQA) tasks.

arXiv:2505.00753공식 코드 · Papers with Code

A Survey on Large Language Model based Human-Agent Systems

Recent advances in large language models (LLMs) have sparked growing interest in building fully autonomous agents. However, fully autonomous LLM-based agents still face significant challenges, including limited reliability due to hallucinations, difficulty in handling complex tasks, and substantial safety and ethical risks, all of which limit their feasibility and trustworthiness in real-world applications. To overcome these limitations, LLM-based human-agent systems (LLM-HAS) incorporate human-provided information, feedback, or control into the agent system to enhance system performance, reliability and safety. This paper provides the first comprehensive and structured survey of LLM-HAS. It clarifies fundamental concepts, systematically presents core components shaping these systems, including environment & profiling, human feedback, interaction types, orchestration and communication, explores emerging applications, and discusses unique challenges and opportunities. By consolidating current knowledge and offering a structured overview, we aim to foster further research and innovation in this rapidly evolving interdisciplinary field. Paper lists and resources are available at https://github.com/HenryPengZou/Awesome-LLM-Based-Human-Agent-Systems.

arXiv:2504.18651

Exploring a Large Language Model for Transforming Taxonomic Data into OWL: Lessons Learned and Implications for Ontology Development

Managing scientific names in ontologies that represent species taxonomies is challenging due to the ever-evolving nature of these taxonomies. Manually maintaining these names becomes increasingly difficult when dealing with thousands of scientific names. To address this issue, this paper investigates the use of ChatGPT-4 to automate the development of the :Organism module in the Agricultural Product Types Ontology (APTO) for species classification. Our methodology involved leveraging ChatGPT-4 to extract data from the GBIF Backbone API and generate OWL files for further integration in APTO. Two alternative approaches were explored: (1) issuing a series of prompts for ChatGPT-4 to execute tasks via the BrowserOP plugin and (2) directing ChatGPT-4 to design a Python algorithm to perform analogous tasks. Both approaches rely on a prompting method where we provide instructions, context, input data, and an output indicator. The first approach showed scalability limitations, while the second approach used the Python algorithm to overcome these challenges, but it struggled with typographical errors in data handling. This study highlights the potential of Large language models like ChatGPT-4 to streamline the management of species names in ontologies. Despite certain limitations, these tools offer promising advancements in automating taxonomy-related tasks and improving the efficiency of ontology development.

arXiv:2504.19480

An Automated Reinforcement Learning Reward Design Framework with Large Language Model for Cooperative Platoon Coordination

Reinforcement Learning (RL) has demonstrated excellent decision-making potential in platoon coordination problems. However, due to the variability of coordination goals, the complexity of the decision problem, and the time-consumption of trial-and-error in manual design, finding a well performance reward function to guide RL training to solve complex platoon coordination problems remains challenging. In this paper, we formally define the Platoon Coordination Reward Design Problem (PCRDP), extending the RL-based cooperative platoon coordination problem to incorporate automated reward function generation. To address PCRDP, we propose a Large Language Model (LLM)-based Platoon coordination Reward Design (PCRD) framework, which systematically automates reward function discovery through LLM-driven initialization and iterative optimization. In this method, LLM first initializes reward functions based on environment code and task requirements with an Analysis and Initial Reward (AIR) module, and then iteratively optimizes them based on training feedback with an evolutionary module. The AIR module guides LLM to deepen their understanding of code and tasks through a chain of thought, effectively mitigating hallucination risks in code generation. The evolutionary module fine-tunes and reconstructs the reward function, achieving a balance between exploration diversity and convergence stability for training. To validate our approach, we establish six challenging coordination scenarios with varying complexity levels within the Yangtze River Delta transportation network simulation. Comparative experimental results demonstrate that RL agents utilizing PCRD-generated reward functions consistently outperform human-engineered reward functions, achieving an average of 10\% higher performance metrics in all scenarios.

arXiv:2504.18412공식 코드 · Papers with Code

Expressing stigma and inappropriate responses prevents LLMs from safely replacing mental health providers

Should a large language model (LLM) be used as a therapist? In this paper, we investigate the use of LLMs to *replace* mental health providers, a use case promoted in the tech startup and research space. We conduct a mapping review of therapy guides used by major medical institutions to identify crucial aspects of therapeutic relationships, such as the importance of a therapeutic alliance between therapist and client. We then assess the ability of LLMs to reproduce and adhere to these aspects of therapeutic relationships by conducting several experiments investigating the responses of current LLMs, such as `gpt-4o`. Contrary to best practices in the medical community, LLMs 1) express stigma toward those with mental health conditions and 2) respond inappropriately to certain common (and critical) conditions in naturalistic therapy settings -- e.g., LLMs encourage clients' delusional thinking, likely due to their sycophancy. This occurs even with larger and newer LLMs, indicating that current safety practices may not address these gaps. Furthermore, we note foundational and practical barriers to the adoption of LLMs as therapists, such as that a therapeutic alliance requires human characteristics (e.g., identity and stakes). For these reasons, we conclude that LLMs should not replace therapists, and we discuss alternative roles for LLMs in clinical therapy.

arXiv:2504.14738

PROMPTEVALS: A Dataset of Assertions and Guardrails for Custom Production Large Language Model Pipelines

Large language models (LLMs) are increasingly deployed in specialized production data processing pipelines across diverse domains -- such as finance, marketing, and e-commerce. However, when running them in production across many inputs, they often fail to follow instructions or meet developer expectations. To improve reliability in these applications, creating assertions or guardrails for LLM outputs to run alongside the pipelines is essential. Yet, determining the right set of assertions that capture developer requirements for a task is challenging. In this paper, we introduce PROMPTEVALS, a dataset of 2087 LLM pipeline prompts with 12623 corresponding assertion criteria, sourced from developers using our open-source LLM pipeline tools. This dataset is 5x larger than previous collections. Using a hold-out test split of PROMPTEVALS as a benchmark, we evaluated closed- and open-source models in generating relevant assertions. Notably, our fine-tuned Mistral and Llama 3 models outperform GPT-4o by 20.93% on average, offering both reduced latency and improved performance. We believe our dataset can spur further research in LLM reliability, alignment, and prompt engineering.

arXiv:2504.14025

Large Language Bayes

Many domain experts do not have the time or training to write formal Bayesian models. This paper takes an informal problem description as input, and combines a large language model and a probabilistic programming language to create a joint distribution over formal models, latent variables, and data. A posterior over latent variables follows by conditioning on observed data and integrating over formal models. This presents a challenging inference problem. We suggest an inference recipe that amounts to generating many formal models from the large language model, performing approximate inference on each, and then doing a weighted average. This is justified an analyzed as a combination of self-normalized importance sampling, MCMC, and variational inference. We show that this produces sensible predictions without the need to specify a formal model.

arXiv:2504.15253공식 코드 · Papers with Code

Evaluating Judges as Evaluators: The JETTS Benchmark of LLM-as-Judges as Test-Time Scaling Evaluators

Scaling test-time computation, or affording a generator large language model (LLM) extra compute during inference, typically employs the help of external non-generative evaluators (i.e., reward models). Concurrently, LLM-judges, models trained to generate evaluations and critiques (explanations) in natural language, are becoming increasingly popular in automatic evaluation. Despite judge empirical successes, their effectiveness as evaluators in test-time scaling settings is largely unknown. In this paper, we introduce the Judge Evaluation for Test-Time Scaling (JETTS) benchmark, which evaluates judge performance in three domains (math reasoning, code generation, and instruction following) under three task settings: response reranking, step-level beam search, and critique-based response refinement. We evaluate 10 different judge models (7B-70B parameters) for 8 different base generator models (6.7B-72B parameters). Our benchmark shows that while judges are competitive with outcome reward models in reranking, they are consistently worse than process reward models in beam search procedures. Furthermore, though unique to LLM-judges, their natural language critiques are currently ineffective in guiding the generator towards better responses.

arXiv:2504.14450

Causal Disentanglement for Robust Long-tail Medical Image Generation

Counterfactual medical image generation effectively addresses data scarcity and enhances the interpretability of medical images. However, due to the complex and diverse pathological features of medical images and the imbalanced class distribution in medical data, generating high-quality and diverse medical images from limited data is significantly challenging. Additionally, to fully leverage the information in limited data, such as anatomical structure information and generate more structurally stable medical images while avoiding distortion or inconsistency. In this paper, in order to enhance the clinical relevance of generated data and improve the interpretability of the model, we propose a novel medical image generation framework, which generates independent pathological and structural features based on causal disentanglement and utilizes text-guided modeling of pathological features to regulate the generation of counterfactual images. First, we achieve feature separation through causal disentanglement and analyze the interactions between features. Here, we introduce group supervision to ensure the independence of pathological and identity features. Second, we leverage a diffusion model guided by pathological findings to model pathological features, enabling the generation of diverse counterfactual images. Meanwhile, we enhance accuracy by leveraging a large language model to extract lesion severity and location from medical reports. Additionally, we improve the performance of the latent diffusion model on long-tailed categories through initial noise optimization.

arXiv:2504.14432

ResNetVLLM -- Multi-modal Vision LLM for the Video Understanding Task

In this paper, we introduce ResNetVLLM (ResNet Vision LLM), a novel cross-modal framework for zero-shot video understanding that integrates a ResNet-based visual encoder with a Large Language Model (LLM. ResNetVLLM addresses the challenges associated with zero-shot video models by avoiding reliance on pre-trained video understanding models and instead employing a non-pretrained ResNet to extract visual features. This design ensures the model learns visual and semantic representations within a unified architecture, enhancing its ability to generate accurate and contextually relevant textual descriptions from video inputs. Our experimental results demonstrate that ResNetVLLM achieves state-of-the-art performance in zero-shot video understanding (ZSVU) on several benchmarks, including MSRVTT-QA, MSVD-QA, TGIF-QA FrameQA, and ActivityNet-QA.

arXiv:2504.14348

Manipulating Multimodal Agents via Cross-Modal Prompt Injection

The emergence of multimodal large language models has redefined the agent paradigm by integrating language and vision modalities with external data sources, enabling agents to better interpret human instructions and execute increasingly complex tasks. However, in this work, we identify a critical yet previously overlooked security vulnerability in multimodal agents: cross-modal prompt injection attacks. To exploit this vulnerability, we propose CrossInject, a novel attack framework in which attackers embed adversarial perturbations across multiple modalities to align with target malicious content, allowing external instructions to hijack the agent's decision-making process and execute unauthorized tasks. Our approach consists of two key components. First, we introduce Visual Latent Alignment, where we optimize adversarial features to the malicious instructions in the visual embedding space based on a text-to-image generative model, ensuring that adversarial images subtly encode cues for malicious task execution. Subsequently, we present Textual Guidance Enhancement, where a large language model is leveraged to infer the black-box defensive system prompt through adversarial meta prompting and generate an malicious textual command that steers the agent's output toward better compliance with attackers' requests. Extensive experiments demonstrate that our method outperforms existing injection attacks, achieving at least a +26.4% increase in attack success rates across diverse tasks. Furthermore, we validate our attack's effectiveness in real-world multimodal autonomous agents, highlighting its potential implications for safety-critical applications.

arXiv:2504.14110

System of Agentic AI for the Discovery of Metal-Organic Frameworks

Generative models and machine learning promise accelerated material discovery in MOFs for CO2 capture and water harvesting but face significant challenges navigating vast chemical spaces while ensuring synthetizability. Here, we present MOFGen, a system of Agentic AI comprising interconnected agents: a large language model that proposes novel MOF compositions, a diffusion model that generates crystal structures, quantum mechanical agents that optimize and filter candidates, and synthetic-feasibility agents guided by expert rules and machine learning. Trained on all experimentally reported MOFs and computational databases, MOFGen generated hundreds of thousands of novel MOF structures and synthesizable organic linkers. Our methodology was validated through high-throughput experiments and the successful synthesis of five "AI-dreamt" MOFs, representing a major step toward automated synthesizable material discovery.

arXiv:2504.14047

Think Deep, Think Fast: Investigating Efficiency of Verifier-free Inference-time-scaling Methods

There is intense interest in investigating how inference time compute (ITC) (e.g. repeated sampling, refinements, etc) can improve large language model (LLM) capabilities. At the same time, recent breakthroughs in reasoning models, such as Deepseek-R1, unlock the opportunity for reinforcement learning to improve LLM reasoning skills. An in-depth understanding of how ITC interacts with reasoning across different models could provide important guidance on how to further advance the LLM frontier. This work conducts a comprehensive analysis of inference-time scaling methods for both reasoning and non-reasoning models on challenging reasoning tasks. Specifically, we focus our research on verifier-free inference time-scaling methods due to its generalizability without needing a reward model. We construct the Pareto frontier of quality and efficiency. We find that non-reasoning models, even with an extremely high inference budget, still fall substantially behind reasoning models. For reasoning models, majority voting proves to be a robust inference strategy, generally competitive or outperforming other more sophisticated ITC methods like best-of-N and sequential revisions, while the additional inference compute offers minimal improvements. We further perform in-depth analyses of the association of key response features (length and linguistic markers) with response quality, with which we can improve the existing ITC methods. We find that correct responses from reasoning models are typically shorter and have fewer hedging and thinking markers (but more discourse markers) than the incorrect responses.