We introduce AdamS, a simple yet effective alternative to Adam for large language model (LLM) pretraining and post-training. By leveraging a novel denominator, i.e., the root of weighted sum of squares of the momentum and the current gradient, AdamS eliminates the need for second-moment estimates. Hence, AdamS is efficient, matching the memory and compute footprint of SGD with momentum while delivering superior optimization performance. Moreover, AdamS is easy to adopt: it can directly inherit hyperparameters of AdamW, and is entirely model-agnostic, integrating seamlessly into existing pipelines without modifications to optimizer APIs or architectures. The motivation behind AdamS stems from the observed $(L_0, L_1)$ smoothness properties in transformer objectives, where local smoothness is governed by gradient magnitudes that can be further approximated by momentum magnitudes. We establish rigorous theoretical convergence guarantees and provide practical guidelines for hyperparameter selection. Empirically, AdamS demonstrates strong performance in various tasks, including pre-training runs on GPT-2 and Llama2 (up to 13B parameters) and reinforcement learning in post-training regimes. With its efficiency, simplicity, and theoretical grounding, AdamS stands as a compelling alternative to existing optimizers.
Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, in this paper, we propose ChemMLLM, a unified chemical multimodal large language model for molecule understanding and generation. Also, we design five multimodal tasks across text, molecular SMILES strings, and image, and curate the datasets. We benchmark ChemMLLM against a range of general leading MLLMs and Chemical LLMs on these tasks. Experimental results show that ChemMLLM achieves superior performance across all evaluated tasks. For example, in molecule image optimization task, ChemMLLM outperforms the best baseline (GPT-4o) by 118.9\% (4.27 vs 1.95 property improvement). The code is publicly available at https://github.com/bbsbz/ChemMLLM.git.
Recently, large language model (LLM)-based agents have achieved significant success in interactive environments, attracting significant academic and industrial attention. Despite these advancements, current research predominantly focuses on English scenarios. In reality, there are over 7,000 languages worldwide, all of which demand access to comparable agentic services. Nevertheless, the development of language agents remains inadequate for meeting the diverse requirements of multilingual agentic applications. To fill this gap, we introduce X-WebAgentBench, a novel multilingual agent benchmark in an interactive web environment, which evaluates the planning and interaction performance of language agents across multiple languages, thereby contributing to the advancement of global agent intelligence. Additionally, we assess the performance of various LLMs and cross-lingual alignment methods, examining their effectiveness in enhancing agents. Our findings reveal that even advanced models like GPT-4o, when combined with cross-lingual techniques, fail to achieve satisfactory results. We hope that X-WebAgentBench can serve as a valuable benchmark for multilingual agent scenario in real-world applications.
Web navigation is a unique domain that can automate many repetitive real-life tasks and is challenging as it requires long-horizon sequential decision making beyond typical multimodal large language model (MLLM) tasks. Yet, specialized reward models for web navigation that can be utilized during both training and test-time have been absent until now. Despite the importance of speed and cost-effectiveness, prior works have utilized MLLMs as reward models, which poses significant constraints for real-world deployment. To address this, in this work, we propose the first process reward model (PRM) called Web-Shepherd which could assess web navigation trajectories in a step-level. To achieve this, we first construct the WebPRM Collection, a large-scale dataset with 40K step-level preference pairs and annotated checklists spanning diverse domains and difficulty levels. Next, we also introduce the WebRewardBench, the first meta-evaluation benchmark for evaluating PRMs. In our experiments, we observe that our Web-Shepherd achieves about 30 points better accuracy compared to using GPT-4o on WebRewardBench. Furthermore, when testing on WebArena-lite by using GPT-4o-mini as the policy and Web-Shepherd as the verifier, we achieve 10.9 points better performance, in 10 less cost compared to using GPT-4o-mini as the verifier. Our model, dataset, and code are publicly available at LINK.
Lifelong learning is essential for intelligent agents operating in dynamic environments. Current large language model (LLM)-based agents, however, remain stateless and unable to accumulate or transfer knowledge over time. Existing benchmarks treat agents as static systems and fail to evaluate lifelong learning capabilities. We present LifelongAgentBench, the first unified benchmark designed to systematically assess the lifelong learning ability of LLM agents. It provides skill-grounded, interdependent tasks across three interactive environments, Database, Operating System, and Knowledge Graph, with automatic label verification, reproducibility, and modular extensibility. Extensive experiments reveal that conventional experience replay has limited effectiveness for LLM agents due to irrelevant information and context length constraints. We further introduce a group self-consistency mechanism that significantly improves lifelong learning performance. We hope LifelongAgentBench will advance the development of adaptive, memory-capable LLM agents.
As Large Language Models (LLMs) are increasingly deployed in sensitive domains such as enterprise and government, ensuring that they adhere to user-defined security policies within context is critical-especially with respect to information non-disclosure. While prior LLM studies have focused on general safety and socially sensitive data, large-scale benchmarks for contextual security preservation against attacks remain lacking. To address this, we introduce a novel large-scale benchmark dataset, CoPriva, evaluating LLM adherence to contextual non-disclosure policies in question answering. Derived from realistic contexts, our dataset includes explicit policies and queries designed as direct and challenging indirect attacks seeking prohibited information. We evaluate 10 LLMs on our benchmark and reveal a significant vulnerability: many models violate user-defined policies and leak sensitive information. This failure is particularly severe against indirect attacks, highlighting a critical gap in current LLM safety alignment for sensitive applications. Our analysis reveals that while models can often identify the correct answer to a query, they struggle to incorporate policy constraints during generation. In contrast, they exhibit a partial ability to revise outputs when explicitly prompted. Our findings underscore the urgent need for more robust methods to guarantee contextual security.
Large Language Models often contain factually incorrect or outdated knowledge, giving rise to model editing methods for precise knowledge updates. However, current mainstream locate-then-edit approaches exhibit a progressive performance decline during sequential editing, due to inadequate mechanisms for long-term knowledge preservation. To tackle this, we model the sequential editing as a constrained stochastic programming. Given the challenges posed by the cumulative preservation error constraint and the gradually revealed editing tasks, \textbf{LyapLock} is proposed. It integrates queuing theory and Lyapunov optimization to decompose the long-term constrained programming into tractable stepwise subproblems for efficient solving. This is the first model editing framework with rigorous theoretical guarantees, achieving asymptotic optimal editing performance while meeting the constraints of long-term knowledge preservation. Experimental results show that our framework scales sequential editing capacity to over 10,000 edits while stabilizing general capabilities and boosting average editing efficacy by 11.89\% over SOTA baselines. Furthermore, it can be leveraged to enhance the performance of baseline methods. Our code is released on https://github.com/caskcsg/LyapLock.
Conformal prediction (CP) provides sets of candidate classes with a guaranteed probability of containing the true class. However, it typically relies on a calibration set with clean labels. We address privacy-sensitive scenarios where the aggregator is untrusted and can only access a perturbed version of the true labels. We propose two complementary approaches under local differential privacy (LDP). In the first approach, users do not access the model but instead provide their input features and a perturbed label using a k-ary randomized response. In the second approach, which enforces stricter privacy constraints, users add noise to their conformity score by binary search response. This method requires access to the classification model but preserves both data and label privacy. Both approaches compute the conformal threshold directly from noisy data without accessing the true labels. We prove finite-sample coverage guarantees and demonstrate robust coverage even under severe randomization. This approach unifies strong local privacy with predictive uncertainty control, making it well-suited for sensitive applications such as medical imaging or large language model queries, regardless of whether users can (or are willing to) compute their own scores.
Accelerating large language model (LLM) inference is critical for real-world deployments requiring high throughput and low latency. Contextual sparsity, where each token dynamically activates only a small subset of the model parameters, shows promise but does not scale to large batch sizes due to union of active neurons quickly approaching dense computation. We introduce Polar Sparsity, highlighting a key shift in sparsity importance from MLP to Attention layers as we scale batch size and sequence length. While MLP layers become more compute-efficient under batching, their sparsity vanishes. In contrast, attention becomes increasingly more expensive at scale, while their head sparsity remains stable and batch-invariant. We develop hardware-efficient, sparsity-aware GPU kernels for selective MLP and Attention computations, delivering up to \(2.2\times\) end-to-end speedups for models like OPT, LLaMA-2 \& 3, across various batch sizes and sequence lengths without compromising accuracy. To our knowledge, this is the first work to demonstrate that contextual sparsity can scale effectively to large batch sizes, delivering substantial inference acceleration with minimal changes, making Polar Sparsity practical for large-scale, high-throughput LLM deployment systems. Our code is available at: https://github.com/susavlsh10/Polar-Sparsity.
Clickstream data from digital learning environments offer valuable insights into students' learning behaviors, but are challenging to interpret due to their high dimensionality and granularity. Prior approaches have relied mainly on handcrafted features, expert labeling, clustering, or supervised models, therefore often lacking generalizability and scalability. In this work, we introduce ClickSight, an in-context Large Language Model (LLM)-based pipeline that interprets student clickstreams to reveal their learning strategies. ClickSight takes raw clickstreams and a list of learning strategies as input and generates textual interpretations of students' behaviors during interaction. We evaluate four different prompting strategies and investigate the impact of self-refinement on interpretation quality. Our evaluation spans two open-ended learning environments and uses a rubric-based domain-expert evaluation. Results show that while LLMs can reasonably interpret learning strategies from clickstreams, interpretation quality varies by prompting strategy, and self-refinement offers limited improvement. ClickSight demonstrates the potential of LLMs to generate theory-driven insights from educational interaction data.
Playing video games requires perception, memory, and planning, exactly the faculties modern large language model (LLM) agents are expected to master. We study the major challenges in using popular video games to evaluate modern LLMs and find that directly dropping LLMs into games cannot make an effective evaluation, for three reasons -- brittle vision perception, prompt sensitivity, and potential data contamination. We introduce lmgame-Bench to turn games into reliable evaluations. lmgame-Bench features a suite of platformer, puzzle, and narrative games delivered through a unified Gym-style API and paired with lightweight perception and memory scaffolds, and is designed to stabilize prompt variance and remove contamination. Across 13 leading models, we show lmgame-Bench is challenging while still separating models well. Correlation analysis shows that every game probes a unique blend of capabilities often tested in isolation elsewhere. More interestingly, performing reinforcement learning on a single game from lmgame-Bench transfers both to unseen games and to external planning tasks. Our evaluation code is available at https://github.com/lmgame-org/GamingAgent/lmgame-bench.
Large Language Model (LLM)-based multi-agent systems (MAS) demonstrate remarkable potential for scientific discovery. Existing approaches, however, often automate scientific discovery using predefined workflows that lack rationality constraints. This often leads to aimless hypothesizing and a failure to consistently link hypotheses with evidence, thereby hindering systematic uncertainty reduction. Overcoming these limitations fundamentally requires systematic uncertainty reduction. We introduce \texttt{PiFlow}, an information-theoretical framework, treating automated scientific discovery as a structured uncertainty reduction problem guided by principles (e.g., scientific laws). In evaluations across three distinct scientific domains -- discovering nanomaterial structures, bio-molecules, and superconductor candidates with targeted properties -- our method significantly improves discovery efficiency, reflected by a 73.55\% increase in the Area Under the Curve (AUC) of property values versus exploration steps, and enhances solution quality by 94.06\% compared to a vanilla agent system. Overall, \texttt{PiFlow} serves as a Plug-and-Play method, establishing a novel paradigm shift in highly efficient automated scientific discovery, paving the way for more robust and accelerated AI-driven research. Code is publicly available at our \href{https://github.com/amair-lab/PiFlow}{GitHub}.
The evaluation of large language models (LLMs) via benchmarks is widespread, yet inconsistencies between different leaderboards and poor separability among top models raise concerns about their ability to accurately reflect authentic model capabilities. This paper provides a critical analysis of benchmark effectiveness, examining main-stream prominent LLM benchmarks using results from diverse models. We first propose a new framework for accurate and reliable estimations of item characteristics and model abilities. Specifically, we propose Pseudo-Siamese Network for Item Response Theory (PSN-IRT), an enhanced Item Response Theory framework that incorporates a rich set of item parameters within an IRT-grounded architecture. Based on PSN-IRT, we conduct extensive analysis which reveals significant and varied shortcomings in the measurement quality of current benchmarks. Furthermore, we demonstrate that leveraging PSN-IRT is able to construct smaller benchmarks while maintaining stronger alignment with human preference.
Large Language Model (LLM) Agents have demonstrated remarkable capabilities in task automation and intelligent decision-making, driving the widespread adoption of agent development frameworks such as LangChain and AutoGen. However, these frameworks predominantly serve developers with extensive technical expertise - a significant limitation considering that only 0.03 % of the global population possesses the necessary programming skills. This stark accessibility gap raises a fundamental question: Can we enable everyone, regardless of technical background, to build their own LLM agents using natural language alone? To address this challenge, we introduce AutoAgent-a Fully-Automated and highly Self-Developing framework that enables users to create and deploy LLM agents through Natural Language Alone. Operating as an autonomous Agent Operating System, AutoAgent comprises four key components: i) Agentic System Utilities, ii) LLM-powered Actionable Engine, iii) Self-Managing File System, and iv) Self-Play Agent Customization module. This lightweight yet powerful system enables efficient and dynamic creation and modification of tools, agents, and workflows without coding requirements or manual intervention. Beyond its code-free agent development capabilities, AutoAgent also serves as a versatile multi-agent system for General AI Assistants. Comprehensive evaluations on the GAIA benchmark demonstrate AutoAgent's effectiveness in generalist multi-agent tasks, surpassing existing state-of-the-art methods. Furthermore, AutoAgent's Retrieval-Augmented Generation (RAG)-related capabilities have shown consistently superior performance compared to many alternative LLM-based solutions.
Query routing, the task to route user queries to different large language model (LLM) endpoints, can be considered as a text classification problem. However, out-of-distribution queries must be handled properly, as those could be questions about unrelated domains, queries in other languages, or even contain unsafe text. Here, we thus study a \emph{guarded} query routing problem, for which we first introduce the Guarded Query Routing Benchmark (GQR-Bench), which covers three exemplary target domains (law, finance, and healthcare), and seven datasets to test robustness against out-of-distribution queries. We then use GQR-Bench to contrast the effectiveness and efficiency of LLM-based routing mechanisms (GPT-4o-mini, Llama-3.2-3B, and Llama-3.1-8B), standard LLM-based guardrail approaches (LlamaGuard and NVIDIA NeMo Guardrails), continuous bag-of-words classifiers (WideMLP, fastText), and traditional machine learning models (SVM, XGBoost). Our results show that WideMLP, enhanced with out-of-domain detection capabilities, yields the best trade-off between accuracy (88\%) and speed (<4ms). The embedding-based fastText excels at speed (<1ms) with acceptable accuracy (80\%), whereas LLMs yield the highest accuracy (91\%) but are comparatively slow (62ms for local Llama-3.1:8B and 669ms for remote GPT-4o-mini calls). Our findings challenge the automatic reliance on LLMs for (guarded) query routing and provide concrete recommendations for practical applications. GQR-Bench will be released as a Python package -- \texttt{gqr}.
Knowledge tracing (KT) aims to predict learners' future performance based on historical learning interactions. However, existing KT models predominantly focus on data from a single course, limiting their ability to capture a comprehensive understanding of learners' knowledge states. In this paper, we propose TransKT, a contrastive cross-course knowledge tracing method that leverages concept graph guided knowledge transfer to model the relationships between learning behaviors across different courses, thereby enhancing knowledge state estimation. Specifically, TransKT constructs a cross-course concept graph by leveraging zero-shot Large Language Model (LLM) prompts to establish implicit links between related concepts across different courses. This graph serves as the foundation for knowledge transfer, enabling the model to integrate and enhance the semantic features of learners' interactions across courses. Furthermore, TransKT includes an LLM-to-LM pipeline for incorporating summarized semantic features, which significantly improves the performance of Graph Convolutional Networks (GCNs) used for knowledge transfer. Additionally, TransKT employs a contrastive objective that aligns single-course and cross-course knowledge states, thereby refining the model's ability to provide a more robust and accurate representation of learners' overall knowledge states.
Large language model (LLM) based agents have shown great potential in following human instructions and automatically completing various tasks. To complete a task, the agent needs to decompose it into easily executed steps by planning. Existing studies mainly conduct the planning by inferring what steps should be executed next starting from the agent's initial state. However, this forward reasoning paradigm doesn't work well for complex tasks. We propose to study this issue in Minecraft, a virtual environment that simulates complex tasks based on real-world scenarios. We believe that the failure of forward reasoning is caused by the big perception gap between the agent's initial state and task goal. To this end, we leverage backward reasoning and make the planning starting from the terminal state, which can directly achieve the task goal in one step. Specifically, we design a BAckward Reasoning based agent (BAR). It is equipped with a recursive goal decomposition module, a state consistency maintaining module and a stage memory module to make robust, consistent, and efficient planning starting from the terminal state. Experimental results demonstrate the superiority of BAR over existing methods and the effectiveness of proposed modules.
The text generation paradigm for audio tasks has opened new possibilities for unified audio understanding. However, existing models face significant challenges in achieving a comprehensive understanding across diverse audio types, such as speech, general audio events, and music. Furthermore, their exclusive reliance on cross-entropy loss for alignment often falls short, as it treats all tokens equally and fails to account for redundant audio features, leading to weaker cross-modal alignment. To deal with the above challenges, this paper introduces U-SAM, an advanced audio language model that integrates specialized encoders for speech, audio, and music with a pre-trained large language model (LLM). U-SAM employs a Mixture of Experts (MoE) projector for task-aware feature fusion, dynamically routing and integrating the domain-specific encoder outputs. Additionally, U-SAM incorporates a Semantic-Aware Contrastive Loss Module, which explicitly identifies redundant audio features under language supervision and rectifies their semantic and spectral representations to enhance cross-modal alignment. Extensive experiments demonstrate that U-SAM consistently outperforms both specialized models and existing audio language models across multiple benchmarks. Moreover, it exhibits emergent capabilities on unseen tasks, showcasing its generalization potential. Code is available (https://github.com/Honee-W/U-SAM/).
Distantly supervised named entity recognition (DS-NER) has emerged as a cheap and convenient alternative to traditional human annotation methods, enabling the automatic generation of training data by aligning text with external resources. Despite the many efforts in noise measurement methods, few works focus on the latent noise distribution between different distant annotation methods. In this work, we explore the effectiveness and robustness of DS-NER by two aspects: (1) distant annotation techniques, which encompasses both traditional rule-based methods and the innovative large language model supervision approach, and (2) noise assessment, for which we introduce a novel framework. This framework addresses the challenges by distinctly categorizing them into the unlabeled-entity problem (UEP) and the noisy-entity problem (NEP), subsequently providing specialized solutions for each. Our proposed method achieves significant improvements on eight real-world distant supervision datasets originating from three different data sources and involving four distinct annotation techniques, confirming its superiority over current state-of-the-art methods.
Advances in AI generative models facilitate super-realistic video synthesis, amplifying misinformation risks via social media and eroding trust in digital content. Several research works have explored new deepfake detection methods on AI-generated images to alleviate these risks. However, with the fast development of video generation models, such as Sora and WanX, there is currently a lack of large-scale, high-quality AI-generated video datasets for forgery detection. In addition, existing detection approaches predominantly treat the task as binary classification, lacking explainability in model decision-making and failing to provide actionable insights or guidance for the public. To address these challenges, we propose \textbf{GenBuster-200K}, a large-scale AI-generated video dataset featuring 200K high-resolution video clips, diverse latest generative techniques, and real-world scenes. We further introduce \textbf{BusterX}, a novel AI-generated video detection and explanation framework leveraging multimodal large language model (MLLM) and reinforcement learning for authenticity determination and explainable rationale. To our knowledge, GenBuster-200K is the {\it \textbf{first}} large-scale, high-quality AI-generated video dataset that incorporates the latest generative techniques for real-world scenarios. BusterX is the {\it \textbf{first}} framework to integrate MLLM with reinforcement learning for explainable AI-generated video detection. Extensive comparisons with state-of-the-art methods and ablation studies validate the effectiveness and generalizability of BusterX. The code, models, and datasets will be released.