Daily Papers

Agentic tasks, which require multi-step problem solving with autonomy, tool use, and adaptive reasoning, are becoming increasingly central to the advancement of NLP and AI. However, existing instruction data lacks tool interaction, and current agentic benchmarks rely on costly human annotation, limiting their scalability. We introduce TaskCraft, an automated workflow for generating difficulty-scalable, multi-tool, and verifiable agentic tasks with execution trajectories. TaskCraft expands atomic tasks using depth-based and width-based extensions to create structurally and hierarchically complex challenges. Empirical results show that these tasks improve prompt optimization in the generation workflow and enhance supervised fine-tuning of agentic foundation models. We present a large-scale synthetic dataset of approximately 36,000 tasks with varying difficulty to support future research on agent tuning and evaluation.

Autonomous agents powered by multimodal large language models have been developed to facilitate task execution on mobile devices. However, prior work has predominantly focused on atomic tasks -- such as shot-chain execution tasks and single-screen grounding tasks -- while overlooking the generalization to compositional tasks, which are indispensable for real-world applications. This work introduces UI-NEXUS, a comprehensive benchmark designed to evaluate mobile agents on three categories of compositional operations: Simple Concatenation, Context Transition, and Deep Dive. UI-NEXUS supports interactive evaluation in 20 fully controllable local utility app environments, as well as 30 online Chinese and English service apps. It comprises 100 interactive task templates with an average optimal step count of 14.05. Experimental results across a range of mobile agents with agentic workflow or agent-as-a-model show that UI-NEXUS presents significant challenges. Specifically, existing agents generally struggle to balance performance and efficiency, exhibiting representative failure modes such as under-execution, over-execution, and attention drift, causing visible atomic-to-compositional generalization gap. Inspired by these findings, we propose AGENT-NEXUS, a lightweight and efficient scheduling system to tackle compositional mobile tasks. AGENT-NEXUS extrapolates the abilities of existing mobile agents by dynamically decomposing long-horizon tasks to a series of self-contained atomic subtasks. AGENT-NEXUS achieves 24% to 40% task success rate improvement for existing mobile agents on compositional operation tasks within the UI-NEXUS benchmark without significantly sacrificing inference overhead. The demo video, dataset, and code are available on the project page at https://ui-nexus.github.io.

Large language models (LLMs) have shown impressive ability for open-domain NLP tasks. However, LLMs are sometimes too footloose for natural language understanding (NLU) tasks which always have restricted output and input format. Their performances on NLU tasks are highly related to prompts or demonstrations and are shown to be poor at performing several representative NLU tasks, such as event extraction and entity typing. To this end, we present SeqGPT, a bilingual (i.e., English and Chinese) open-source autoregressive model specially enhanced for open-domain natural language understanding. We express all NLU tasks with two atomic tasks, which define fixed instructions to restrict the input and output format but still ``open'' for arbitrarily varied label sets. The model is first instruction-tuned with extremely fine-grained labeled data synthesized by ChatGPT and then further fine-tuned by 233 different atomic tasks from 152 datasets across various domains. The experimental results show that SeqGPT has decent classification and extraction ability, and is capable of performing language understanding tasks on unseen domains. We also conduct empirical studies on the scaling of data and model size as well as on the transfer across tasks. Our model is accessible at https://github.com/Alibaba-NLP/SeqGPT.

A common approach for teaching large language models (LLMs) to reason is to train on chain-of-thought (CoT) traces of in-distribution reasoning problems, but such annotated data is costly to obtain for every problem of interest. We want reasoning models to generalize beyond their training distribution, and ideally to generalize compositionally: combine atomic reasoning skills to solve harder, unseen reasoning tasks. We take a step towards compositional generalization of reasoning skills when addressing a target compositional task that has no labeled CoT data. We find that simply training models on CoT data of atomic tasks leads to limited generalization, but minimally modifying CoT formats of constituent atomic tasks to be composable can lead to improvements. We can train "atomic CoT" models on the atomic tasks with Composable CoT data and combine them with multitask learning or model merging for better zero-shot performance on the target compositional task. Such a combined model can be further bootstrapped on a small amount of compositional data using rejection sampling fine-tuning (RFT). Results on string operations and natural language skill compositions show that training LLMs on Composable CoT outperforms multitask learning and continued fine-tuning baselines within a given training data budget.

LLMs have shown promise in replicating human-like behavior in crowdsourcing tasks that were previously thought to be exclusive to human abilities. However, current efforts focus mainly on simple atomic tasks. We explore whether LLMs can replicate more complex crowdsourcing pipelines. We find that modern LLMs can simulate some of crowdworkers' abilities in these "human computation algorithms," but the level of success is variable and influenced by requesters' understanding of LLM capabilities, the specific skills required for sub-tasks, and the optimal interaction modality for performing these sub-tasks. We reflect on human and LLMs' different sensitivities to instructions, stress the importance of enabling human-facing safeguards for LLMs, and discuss the potential of training humans and LLMs with complementary skill sets. Crucially, we show that replicating crowdsourcing pipelines offers a valuable platform to investigate (1) the relative strengths of LLMs on different tasks (by cross-comparing their performances on sub-tasks) and (2) LLMs' potential in complex tasks, where they can complete part of the tasks while leaving others to humans.

Building an agent that can mimic human behavior patterns to accomplish various open-world tasks is a long-term goal. To enable agents to effectively learn behavioral patterns across diverse tasks, a key challenge lies in modeling the intricate relationships among observations, actions, and language. To this end, we propose Optimus-2, a novel Minecraft agent that incorporates a Multimodal Large Language Model (MLLM) for high-level planning, alongside a Goal-Observation-Action Conditioned Policy (GOAP) for low-level control. GOAP contains (1) an Action-guided Behavior Encoder that models causal relationships between observations and actions at each timestep, then dynamically interacts with the historical observation-action sequence, consolidating it into fixed-length behavior tokens, and (2) an MLLM that aligns behavior tokens with open-ended language instructions to predict actions auto-regressively. Moreover, we introduce a high-quality Minecraft Goal-Observation-Action (MGOA)} dataset, which contains 25,000 videos across 8 atomic tasks, providing about 30M goal-observation-action pairs. The automated construction method, along with the MGOA dataset, can contribute to the community's efforts to train Minecraft agents. Extensive experimental results demonstrate that Optimus-2 exhibits superior performance across atomic tasks, long-horizon tasks, and open-ended instruction tasks in Minecraft. Please see the project page at https://cybertronagent.github.io/Optimus-2.github.io/.

Autonomous agents powered by large language models (LLMs) are increasingly deployed in real-world applications requiring complex, long-horizon workflows. However, existing benchmarks predominantly focus on atomic tasks that are self-contained and independent, failing to capture the long-term contextual dependencies and multi-interaction coordination required in realistic scenarios. To address this gap, we introduce OdysseyBench, a comprehensive benchmark for evaluating LLM agents on long-horizon workflows across diverse office applications including Word, Excel, PDF, Email, and Calendar. Our benchmark comprises two complementary splits: OdysseyBench+ with 300 tasks derived from real-world use cases, and OdysseyBench-Neo with 302 newly synthesized complex tasks. Each task requires agent to identify essential information from long-horizon interaction histories and perform multi-step reasoning across various applications. To enable scalable benchmark creation, we propose HomerAgents, a multi-agent framework that automates the generation of long-horizon workflow benchmarks through systematic environment exploration, task generation, and dialogue synthesis. Our extensive evaluation demonstrates that OdysseyBench effectively challenges state-of-the-art LLM agents, providing more accurate assessment of their capabilities in complex, real-world contexts compared to existing atomic task benchmarks. We believe that OdysseyBench will serve as a valuable resource for advancing the development and evaluation of LLM agents in real-world productivity scenarios. In addition, we release OdysseyBench and HomerAgents to foster research along this line.

Recent advances in multimodal time series learning underscore a paradigm shift from analytics centered on basic patterns toward advanced time series understanding and reasoning. However, existing multimodal time series datasets mostly remain at the level of surface alignment and question answering, without reaching the depth of genuine reasoning. The absence of well-defined tasks that genuinely require time series reasoning, along with the scarcity of high-quality data, has limited progress in building practical time series reasoning models (TSRMs). To this end, we introduce Time Series Reasoning Suite (TSR-Suite), which formalizes four atomic tasks that span three fundamental capabilities for reasoning with time series: (1) perception, acquired through scenario understanding and causality discovery; (2) extrapolation, realized via event-aware forecasting; and (3) decision-making, developed through deliberation over perception and extrapolation. TSR-Suite is the first comprehensive time series reasoning suite that supports not only thorough evaluation but also the data pipeline and training of TSRMs. It contains more than 23K samples, of which 2.3K are carefully curated through a human-guided hierarchical annotation process. Building on this foundation, we introduce TimeOmni-1, the first unified reasoning model designed to address diverse real-world problems demanding time series reasoning. The model is trained in multiple stages, integrating a mixture of task scenarios, novel reward functions, and tailored optimizations. Experiments show that TimeOmni-1 delivers strong out-of-distribution generalization across all tasks and achieves a high rate of valid responses. It significantly improves causality discovery accuracy (64.0% vs. 35.9% with GPT-4.1) and raises the valid response rate by over 6% compared to GPT-4.1 on the event-aware forecasting task.

Recently, action-based decision-making in open-world environments has gained significant attention. Visual Language Action (VLA) models, pretrained on large-scale web datasets, have shown promise in decision-making tasks. However, previous work has primarily focused on action post-training, often neglecting enhancements to the foundational model itself. In response, we introduce a novel approach, Act from Visual Language Post-Training, which refines Visual Language Models (VLMs) through visual and linguistic guidance in a self-supervised manner. This enhancement improves the models' capabilities in world knowledge, visual recognition, and spatial grounding in open-world environments. Following the above post-training paradigms, we obtain the first VLA models in Minecraft that can follow human instructions on over 1k different atomic tasks, including crafting, smelting, cooking, mining, and killing. Our experiments demonstrate that post-training on non-trajectory tasks leads to a significant 40% improvement over the best agent baseline on a diverse set of atomic tasks. Furthermore, we demonstrate that our approach surpasses traditional imitation learning-based policies in Minecraft, achieving state-of-the-art performance. We have open-sourced the code, models, and datasets to foster further research. The project page can be found in https://craftjarvis.github.io/JarvisVLA.

Large Language Models (LLMs) have exhibited significant potential in performing diverse tasks, including the ability to call functions or use external tools to enhance their performance. While current research on function calling by LLMs primarily focuses on single-turn interactions, this paper addresses the overlooked necessity for LLMs to engage in multi-turn function calling--critical for handling compositional, real-world queries that require planning with functions but not only use functions. To facilitate this, we introduce an approach, BUTTON, which generates synthetic compositional instruction tuning data via bottom-up instruction construction and top-down trajectory generation. In the bottom-up phase, we generate simple atomic tasks based on real-world scenarios and build compositional tasks using heuristic strategies based on atomic tasks. Corresponding functions are then developed for these compositional tasks. The top-down phase features a multi-agent environment where interactions among simulated humans, assistants, and tools are utilized to gather multi-turn function calling trajectories. This approach ensures task compositionality and allows for effective function and trajectory generation by examining atomic tasks within compositional tasks. We produce a dataset BUTTONInstruct comprising 8k data points and demonstrate its effectiveness through extensive experiments across various LLMs.

The ACPBench dataset provides atomic reasoning tasks required for efficient planning. The dataset is aimed at distilling the complex plan generation task into separate atomic reasoning tasks in their easiest possible form, boolean or multiple-choice questions, where the model has to choose the right answer from the provided options. While the aim of ACPBench is to test the simplest form of reasoning about action and change, when tasked with planning, a model does not typically have options to choose from and thus the reasoning required for planning dictates an open-ended, generative form for these tasks. To that end, we introduce ACPBench Hard, a generative version of ACPBench, with open-ended questions which the model needs to answer. Models that perform well on these tasks could in principle be integrated into a planner or be used directly as a policy. We discuss the complexity of these tasks as well as the complexity of validating the correctness of their answers and present validation algorithms for each task. Equipped with these validators, we test the performance of a variety of models on our tasks and find that for most of these tasks the performance of even the largest models is still subpar. Our experiments show that no model outperforms another in these tasks and with a few exceptions all tested language models score below 65%, indicating that even the current frontier language models have a long way to go before they can reliably reason about planning. In fact, even the so-called reasoning models struggle with solving these reasoning tasks. ACPBench Hard collection is available at the following link: https://ibm.github.io/ACPBench

Large language model (LLM)-powered agents are transforming digital devices from passive tools into proactive intelligent collaborators. However, most existing frameworks remain confined to a single OS or device, making cross-device workflows brittle and largely manual. We present UFO^3, a system that unifies heterogeneous endpoints, desktops, servers, mobile devices, and edge, into a single orchestration fabric. UFO^3 models each user request as a mutable TaskConstellation: a distributed DAG of atomic subtasks (TaskStars) with explicit control and data dependencies (TaskStarLines). The TaskConstellation continuously evolves as results stream in from distributed devices, enabling asynchronous execution, adaptive recovery, and dynamic optimization. A Constellation Orchestrator} executes tasks safely and asynchronously while applying dynamic DAG updates, and the Agent Interaction Protocol (AIP) provides persistent, low-latency channels for reliable task dispatch and result streaming. These designs dissolve the traditional boundaries between devices and platforms, allowing agents to collaborate seamlessly and amplify their collective intelligence. We evaluate UFO^3 on NebulaBench, a benchmark of 55 cross-device tasks across 5 machines and 10 categories. UFO^3 achieves 83.3% subtask completion, 70.9% task success, exposes parallelism with an average width of 1.72, and reduces end-to-end latency by 31% relative to a sequential baseline. Fault-injection experiments demonstrate graceful degradation and recovery under transient and permanent agent failures. These results show that UFO^3 achieves accurate, efficient, and resilient task orchestration across heterogeneous devices, uniting isolated agents into a coherent, adaptive computing fabric that extends across the landscape of ubiquitous computing.

We introduce Complex-Edit, a comprehensive benchmark designed to systematically evaluate instruction-based image editing models across instructions of varying complexity. To develop this benchmark, we harness GPT-4o to automatically collect a diverse set of editing instructions at scale. Our approach follows a well-structured ``Chain-of-Edit'' pipeline: we first generate individual atomic editing tasks independently and then integrate them to form cohesive, complex instructions. Additionally, we introduce a suite of metrics to assess various aspects of editing performance, along with a VLM-based auto-evaluation pipeline that supports large-scale assessments. Our benchmark yields several notable insights: 1) Open-source models significantly underperform relative to proprietary, closed-source models, with the performance gap widening as instruction complexity increases; 2) Increased instructional complexity primarily impairs the models' ability to retain key elements from the input images and to preserve the overall aesthetic quality; 3) Decomposing a complex instruction into a sequence of atomic steps, executed in a step-by-step manner, substantially degrades performance across multiple metrics; 4) A straightforward Best-of-N selection strategy improves results for both direct editing and the step-by-step sequential approach; and 5) We observe a ``curse of synthetic data'': when synthetic data is involved in model training, the edited images from such models tend to appear increasingly synthetic as the complexity of the editing instructions rises -- a phenomenon that intriguingly also manifests in the latest GPT-4o outputs.

Learning skills in open-world environments is essential for developing agents capable of handling a variety of tasks by combining basic skills. Online demonstration videos are typically long but unsegmented, making them difficult to segment and label with skill identifiers. Unlike existing methods that rely on sequence sampling or human labeling, we have developed a self-supervised learning-based approach to segment these long videos into a series of semantic-aware and skill-consistent segments. Drawing inspiration from human cognitive event segmentation theory, we introduce Skill Boundary Detection (SBD), an annotation-free temporal video segmentation algorithm. SBD detects skill boundaries in a video by leveraging prediction errors from a pretrained unconditional action-prediction model. This approach is based on the assumption that a significant increase in prediction error indicates a shift in the skill being executed. We evaluated our method in Minecraft, a rich open-world simulator with extensive gameplay videos available online. Our SBD-generated segments improved the average performance of conditioned policies by 63.7% and 52.1% on short-term atomic skill tasks, and their corresponding hierarchical agents by 11.3% and 20.8% on long-horizon tasks. Our method can leverage the diverse YouTube videos to train instruction-following agents. The project page can be found in https://craftjarvis.github.io/SkillDiscovery.

While Large Language Models (LLMs) achieve high performance on standard mathematical benchmarks, their underlying reasoning processes remain highly overfit to standard textual formatting. We propose a perturbation pipeline consisting of 14 techniques to evaluate robustness of LLM reasoning. We apply this pipeline to AIME 2024 dataset and evalute 8 state-of-the-art models on the resulting benchmark. While frontier models exhibit resilience, open weights reasoning models suffer catastrophic collapses (up to 55% average accuracy drops across perturbations and up to 100% on some), exposing structural fragility. To further disentangle mechanical parsing failures from downstream reasoning failures, we strictly isolate the models' working memory capacity by forcing models to solve multiple unperturbed mathematical problems sequentially within a single context window. Our results indicate that open weight models ranging from 7B to 120B parameters and Claude Opus 4.6 exhibit accuracy decay on subsequent problems. This degradation demonstrates that intermediate reasoning steps permanently pollute standard dense attention mechanisms. We argue that to achieve reliable reasoning, future reasoning architectures must integrate explicit contextual resets within a model's own Chain-of-Thought, leading to fundamental open questions regarding the optimal granularity of atomic reasoning tasks.

Knowledge graph embedding (KGE) models represent each entity and relation of a knowledge graph (KG) with low-dimensional embedding vectors. These methods have recently been applied to KG link prediction and question answering over incomplete KGs (KGQA). KGEs typically create an embedding for each entity in the graph, which results in large model sizes on real-world graphs with millions of entities. For downstream tasks these atomic entity representations often need to be integrated into a multi stage pipeline, limiting their utility. We show that an off-the-shelf encoder-decoder Transformer model can serve as a scalable and versatile KGE model obtaining state-of-the-art results for KG link prediction and incomplete KG question answering. We achieve this by posing KG link prediction as a sequence-to-sequence task and exchange the triple scoring approach taken by prior KGE methods with autoregressive decoding. Such a simple but powerful method reduces the model size up to 98% compared to conventional KGE models while keeping inference time tractable. After finetuning this model on the task of KGQA over incomplete KGs, our approach outperforms baselines on multiple large-scale datasets without extensive hyperparameter tuning.

Recent work has shown that integrating large language models (LLMs) with theorem provers (TPs) in neuro-symbolic pipelines helps with entailment verification and proof-guided refinement of explanations for natural language inference (NLI). However, scaling such refinement to naturalistic NLI remains difficult: long, syntactically rich inputs and deep multi-step arguments amplify autoformalisation errors, where a single local mismatch can invalidate the proof. Moreover, current methods often handle failures via costly global regeneration due to the difficulty of localising the responsible span or step from prover diagnostics. Aiming to address these problems, we propose a decompose-and-formalise framework that (i) decomposes premise-hypothesis pairs into an entailment tree of atomic steps, (ii) verifies the tree bottom-up to isolate failures to specific nodes, and (iii) performs local diagnostic-guided refinement instead of regenerating the whole explanation. Moreover, to improve faithfulness of autoformalisation, we introduce θ-substitution in an event-based logical form to enforce consistent argument-role bindings. Across a range of reasoning tasks using five LLM backbones, our method achieves the highest explanation verification rates, improving over the state-of-the-art by 26.2%, 21.7%, 21.6% and 48.9%, while reducing refinement iterations and runtime and preserving strong NLI accuracy.

Large language models rely heavily on prompts to specify tasks, recall knowledge and guide reasoning. However, this reliance is inefficient as prompts must be re-read at each step, scale poorly across tasks, and lack mechanisms for modular reuse. We introduce TokMem, a tokenized procedural memory that stores recurring procedures as compact, trainable embeddings. Each memory token encodes both an address to a procedure and a control signal that steers generation, enabling targeted behavior with constant-size overhead. To support continual adaptation, TokMem keeps the backbone model frozen, allowing new procedures to be added without interfering with existing ones. We evaluate TokMem on 1,000 tasks for atomic recall, and on function-calling tasks for compositional recall, where it consistently outperforms retrieval-augmented generation while avoiding repeated context overhead, and fine-tuning with far fewer parameters. These results establish TokMem as a scalable and modular alternative to prompt engineering and fine-tuning, offering an explicit procedural memory for LLMs.

Leveraging Multi-modal Large Language Models (MLLMs) to create embodied agents offers a promising avenue for tackling real-world tasks. While language-centric embodied agents have garnered substantial attention, MLLM-based embodied agents remain underexplored due to the lack of comprehensive evaluation frameworks. To bridge this gap, we introduce EmbodiedBench, an extensive benchmark designed to evaluate vision-driven embodied agents. EmbodiedBench features: (1) a diverse set of 1,128 testing tasks across four environments, ranging from high-level semantic tasks (e.g., household) to low-level tasks involving atomic actions (e.g., navigation and manipulation); and (2) six meticulously curated subsets evaluating essential agent capabilities like commonsense reasoning, complex instruction understanding, spatial awareness, visual perception, and long-term planning. Through extensive experiments, we evaluated 13 leading proprietary and open-source MLLMs within EmbodiedBench. Our findings reveal that: MLLMs excel at high-level tasks but struggle with low-level manipulation, with the best model, GPT-4o, scoring only 28.9% on average. EmbodiedBench provides a multifaceted standardized evaluation platform that not only highlights existing challenges but also offers valuable insights to advance MLLM-based embodied agents. Our code is available at https://embodiedbench.github.io.

Large language models (LLMs) such as generative pretrained transformers (GPTs) have shown potential for various commercial applications, but their applicability for materials design remains underexplored. In this article, we introduce AtomGPT, a model specifically developed for materials design based on transformer architectures, to demonstrate the capability for both atomistic property prediction and structure generation. We show that a combination of chemical and structural text descriptions can efficiently predict material properties with accuracy comparable to graph neural network models, including formation energies, electronic bandgaps from two different methods and superconducting transition temperatures. Furthermore, we demonstrate that AtomGPT can generate atomic structures for tasks such as designing new superconductors, with the predictions validated through density functional theory calculations. This work paves the way for leveraging LLMs in forward and inverse materials design, offering an efficient approach to the discovery and optimization of materials.

Existing benchmarks for conversational AI agents simulate single-control environments, where only the AI agent can use tools to interact with the world, while the user remains a passive information provider. This differs from real-world scenarios like technical support, where users need to actively participate in modifying the state of the (shared) world. In order to address this gap, we introduce tau^2-bench, with four key contributions: 1) A novel Telecom dual-control domain modeled as a Dec-POMDP, where both agent and user make use of tools to act in a shared, dynamic environment that tests both agent coordination and communication, 2) A compositional task generator that programmatically creates diverse, verifiable tasks from atomic components, ensuring domain coverage and controlled complexity, 3) A reliable user simulator tightly coupled with the environment, whose behavior is constrained by tools and observable states, improving simulation fidelity, 4) Fine-grained analysis of agent performance through multiple ablations including separating errors arising from reasoning vs communication/coordination. In particular, our experiments show significant performance drops when agents shift from no-user to dual-control, highlighting the challenges of guiding users. Overall, tau^2-bench provides a controlled testbed for agents that must both reason effectively and guide user actions.

Multimodal Large Language Models (MLLMs) excel at simple vision-language tasks but struggle when faced with complex tasks that require multiple capabilities, such as simultaneously recognizing objects, counting them, and understanding their spatial relationships. This might be partially the result of the fact that Visual Instruction Tuning (VIT), a critical training step for MLLMs, has traditionally focused on scaling data volume, but not the compositional complexity of training examples. We propose COMPACT (COMPositional Atomic-to-complex visual Capability Tuning), which generates a training dataset explicitly controlling for the compositional complexity of the training examples. The data from COMPACT allows MLLMs to train on combinations of atomic capabilities to learn complex capabilities more efficiently. Across all benchmarks, COMPACT achieves comparable performance to the LLaVA-665k VIT while using less than 10% of its data budget, and even outperforms it on several, especially those involving complex multi-capability tasks. For example, COMPACT achieves substantial 83.3% improvement on MMStar and 94.0% improvement on MM-Vet compared to the full-scale VIT on particularly complex questions that require four or more atomic capabilities. COMPACT offers a scalable, data-efficient, visual compositional tuning recipe to improve on complex visual-language tasks.

Ensuring persona fidelity in large language models (LLMs) is essential for maintaining coherent and engaging human-AI interactions. However, LLMs often exhibit Out-of-Character (OOC) behavior, where generated responses deviate from an assigned persona, leading to inconsistencies that affect model reliability. Existing evaluation methods typically assign single scores to entire responses, struggling to capture subtle persona misalignment, particularly in long-form text generation. To address this limitation, we propose an atomic-level evaluation framework that quantifies persona fidelity at a finer granularity. Our three key metrics measure the degree of persona alignment and consistency within and across generations. Our approach enables a more precise and realistic assessment of persona fidelity by identifying subtle deviations that real users would encounter. Through our experiments, we demonstrate that our framework effectively detects persona inconsistencies that prior methods overlook. By analyzing persona fidelity across diverse tasks and personality types, we reveal how task structure and persona desirability influence model adaptability, highlighting challenges in maintaining consistent persona expression.

Large language models (LLMs) exhibit remarkable problem-solving abilities, but struggle with complex tasks due to static internal knowledge. Retrieval-Augmented Generation (RAG) enhances access to external information, yet remains limited in multi-hop reasoning and strategic search due to rigid workflows. Recent advancements in agentic deep research empower LLMs to autonomously reason, search, and synthesize information. However, current approaches relying on outcome-based reinforcement learning (RL) face critical issues such as conflicting gradients and reward sparsity, limiting performance gains and training efficiency. To address these, we first propose Atomic Thought, a novel LLM thinking paradigm that decomposes reasoning into fine-grained functional units. These units are supervised by Reasoning Reward Models (RRMs), which provide Atomic Thought Rewards (ATR) for fine-grained guidance. Building on this, we propose Atom-Searcher, a novel RL framework for agentic deep research that integrates Atomic Thought and ATR. Atom-Searcher uses a curriculum-inspired reward schedule, prioritizing process-level ATR early and transitioning to outcome rewards, accelerating convergence on effective reasoning paths. Experiments on seven benchmarks show consistent improvements over the state-of-the-art. Key advantages include: (1) Atom-Searcher scales computation at test-time. (2) Atomic Thought provides supervision anchors for RRMs, bridging deep research tasks and RRMs. (3) Atom-Searcher exhibits more interpretable, human-like reasoning patterns.

Recent advancements in large language models (LLMs) have led to significant improvements in various natural language processing tasks, but it is still challenging for LLMs to perform knowledge-intensive complex question answering due to LLMs' inefficacy in reasoning planning and the hallucination problem. A typical solution is to employ retrieval-augmented generation (RAG) coupled with chain-of-thought (CoT) reasoning, which decomposes complex questions into chain-like sub-questions and applies iterative RAG at each sub-question. However, prior works exhibit sub-optimal reasoning planning and overlook dynamic knowledge retrieval from heterogeneous sources. In this paper, we propose AtomR, a novel heterogeneous knowledge reasoning framework that conducts multi-source reasoning at the atomic level. Drawing inspiration from the graph modeling of knowledge, AtomR leverages large language models (LLMs) to decompose complex questions into combinations of three atomic knowledge operators, significantly enhancing the reasoning process at both the planning and execution stages. We also introduce BlendQA, a novel evaluation benchmark tailored to assess complex heterogeneous knowledge reasoning. Experiments show that AtomR significantly outperforms state-of-the-art baselines across three single-source and two multi-source reasoning benchmarks, with notable performance gains of 9.4% on 2WikiMultihop and 9.5% on BlendQA.

Typically, tokenization is the very first step in most text processing works. As a token serves as an atomic unit that embeds the contextual information of text, how to define a token plays a decisive role in the performance of a model.Even though Byte Pair Encoding (BPE) has been considered the de facto standard tokenization method due to its simplicity and universality, it still remains unclear whether BPE works best across all languages and tasks. In this paper, we test several tokenization strategies in order to answer our primary research question, that is, "What is the best tokenization strategy for Korean NLP tasks?" Experimental results demonstrate that a hybrid approach of morphological segmentation followed by BPE works best in Korean to/from English machine translation and natural language understanding tasks such as KorNLI, KorSTS, NSMC, and PAWS-X. As an exception, for KorQuAD, the Korean extension of SQuAD, BPE segmentation turns out to be the most effective.

The mechanism by which RL contributes to reasoning capabilities-whether it incentivizes the synthesis of new skills or merely amplifies existing behaviors-remains a subject of intense debate. In this work, we investigate this question through the lens of Complementary Reasoning, a complex task that requires integrating internal parametric knowledge with external contextual information. Using a controlled synthetic dataset of human biographies, we strictly decouple this ability into two atomic skills: Parametric Reasoning (relying on internal knowledge) and Contextual Reasoning (depending on external information). To rigorously assess capability boundaries, we evaluate generalization across three distinct levels of difficulty: I.I.D., Composition, and Zero-shot settings. We find that while SFT is sufficient for in-distribution performance, it struggles with O.O.D. generalization, particularly in Zero-shot settings where relational combinations are novel. Crucially, we identify the SFT Generalization Paradox: Models supervised solely on the composite task achieve near-perfect in-distribution accuracy but collapse on out-of-distribution generalization, indicating their reliance on rote memorization of path shortcuts. In contrast, we find that RL acts as a reasoning synthesizer rather than a probability amplifier. However, we uncover a strict atomic prerequisite: RL can only synthesize these complex strategies if the base model has first mastered the independent atomic skills (Parametric and Contextual) via SFT. These findings challenge the view of RL as a mere amplifier, suggesting that given sufficient atomic foundations, RL can actively synthesize complex reasoning strategies from learned primitives without explicit supervision on such complex strategies. This indicates that decoupled atomic training followed by RL offers a scalable path to generalization for complex reasoning tasks.

Large Language Models (LLMs) have shown promise as robotic planners but often struggle with long-horizon and complex tasks, especially in specialized environments requiring external knowledge. While hierarchical planning and Retrieval-Augmented Generation (RAG) address some of these challenges, they remain insufficient on their own and a deeper integration is required for achieving more reliable systems. To this end, we propose a neuro-symbolic approach that enhances LLMs-based planners with Knowledge Graph-based RAG for hierarchical plan generation. This method decomposes complex tasks into manageable subtasks, further expanded into executable atomic action sequences. To ensure formal correctness and proper decomposition, we integrate a Symbolic Validator, which also functions as a failure detector by aligning expected and observed world states. Our evaluation against baseline methods demonstrates the consistent significant advantages of integrating hierarchical planning, symbolic verification, and RAG across tasks of varying complexity and different LLMs. Additionally, our experimental setup and novel metrics not only validate our approach for complex planning but also serve as a tool for assessing LLMs' reasoning and compositional capabilities.

While Multimodal Large Language Models (MLLMs) have demonstrated remarkable proficiency in tasks such as abnormality detection and report generation for anatomical modalities, their capability in functional imaging remains largely unexplored. In this work, we identify and quantify a fundamental functional perception gap: the inability of current vision encoders to decode functional tracer biodistribution independent of morphological priors. Identifying Positron Emission Tomography (PET) as the quintessential modality to investigate this disconnect, we introduce PET-Bench, the first large-scale functional imaging benchmark comprising 52,308 hierarchical QA pairs from 9,732 multi-site, multi-tracer PET studies. Extensive evaluation of 19 state-of-the-art MLLMs reveals a critical safety hazard termed the Chain-of-Thought (CoT) hallucination trap. We observe that standard CoT prompting, widely considered to enhance reasoning, paradoxically decouples linguistic generation from visual evidence in PET, producing clinically fluent but factually ungrounded diagnoses. To resolve this, we propose Atomic Visual Alignment (AVA), a simple fine-tuning strategy that enforces the mastery of low-level functional perception prior to high-level diagnostic reasoning. Our results demonstrate that AVA effectively bridges the perception gap, transforming CoT from a source of hallucination into a robust inference tool and improving diagnostic accuracy by up to 14.83%. Code and data are available at https://github.com/yezanting/PET-Bench.

In this paper, we address the challenging task of multimodal mathematical reasoning by incorporating the ability of "slow thinking" into multimodal large language models (MLLMs). Our core idea is that different levels of reasoning abilities can be combined dynamically to tackle questions with different complexity. To this end, we propose a paradigm of Self-structured Chain of Thought (SCoT), which is composed of minimal semantic atomic steps. Different from existing methods that rely on structured templates or free-form paradigms, our method can not only generate cognitive CoT structures for various complex tasks but also mitigates the phenomenon of overthinking. To introduce structured reasoning capabilities into visual understanding models, we further design a novel AtomThink framework with four key modules, including (i) a data engine to generate high-quality multimodal reasoning paths; (ii) a supervised fine-tuning process with serialized inference data; (iii) a policy-guided multi-turn inference method; and (iv) an atomic capability metric to evaluate the single step utilization rate. We conduct extensive experiments to show that the proposed AtomThink significantly improves the performance of baseline MLLMs, achieving more than 10\% average accuracy gains on MathVista and MathVerse. Compared to state-of-the-art structured CoT approaches, our method not only achieves higher accuracy but also improves data utilization by 5 times and boosts inference efficiency by 85.3\%. Our code is now public available in https://github.com/Quinn777/AtomThink.

Modeling the energy and forces of atomic systems is a fundamental problem in computational chemistry with the potential to help address many of the world's most pressing problems, including those related to energy scarcity and climate change. These calculations are traditionally performed using Density Functional Theory, which is computationally very expensive. Machine learning has the potential to dramatically improve the efficiency of these calculations from days or hours to seconds. We propose the Spherical Channel Network (SCN) to model atomic energies and forces. The SCN is a graph neural network where nodes represent atoms and edges their neighboring atoms. The atom embeddings are a set of spherical functions, called spherical channels, represented using spherical harmonics. We demonstrate, that by rotating the embeddings based on the 3D edge orientation, more information may be utilized while maintaining the rotational equivariance of the messages. While equivariance is a desirable property, we find that by relaxing this constraint in both message passing and aggregation, improved accuracy may be achieved. We demonstrate state-of-the-art results on the large-scale Open Catalyst dataset in both energy and force prediction for numerous tasks and metrics.

Smartphones have become indispensable in modern life, yet navigating complex tasks on mobile devices often remains frustrating. Recent advancements in large multimodal model (LMM)-based mobile agents have demonstrated the ability to perceive and act in mobile environments. However, current approaches face significant limitations: they fall short in addressing real-world human needs, struggle with reasoning-intensive and long-horizon tasks, and lack mechanisms to learn and improve from prior experiences. To overcome these challenges, we introduce Mobile-Agent-E, a hierarchical multi-agent framework capable of self-evolution through past experience. By hierarchical, we mean an explicit separation of high-level planning and low-level action execution. The framework comprises a Manager, responsible for devising overall plans by breaking down complex tasks into subgoals, and four subordinate agents--Perceptor, Operator, Action Reflector, and Notetaker--which handle fine-grained visual perception, immediate action execution, error verification, and information aggregation, respectively. Mobile-Agent-E also features a novel self-evolution module which maintains a persistent long-term memory comprising Tips and Shortcuts. Tips are general guidance and lessons learned from prior tasks on how to effectively interact with the environment. Shortcuts are reusable, executable sequences of atomic operations tailored for specific subroutines. The inclusion of Tips and Shortcuts facilitates continuous refinement in performance and efficiency. Alongside this framework, we introduce Mobile-Eval-E, a new benchmark featuring complex mobile tasks requiring long-horizon, multi-app interactions. Empirical results show that Mobile-Agent-E achieves a 22% absolute improvement over previous state-of-the-art approaches across three foundation model backbones. Project page: https://x-plug.github.io/MobileAgent.

We introduce Image-GOal Representations (IGOR), aiming to learn a unified, semantically consistent action space across human and various robots. Through this unified latent action space, IGOR enables knowledge transfer among large-scale robot and human activity data. We achieve this by compressing visual changes between an initial image and its goal state into latent actions. IGOR allows us to generate latent action labels for internet-scale video data. This unified latent action space enables the training of foundation policy and world models across a wide variety of tasks performed by both robots and humans. We demonstrate that: (1) IGOR learns a semantically consistent action space for both human and robots, characterizing various possible motions of objects representing the physical interaction knowledge; (2) IGOR can "migrate" the movements of the object in the one video to other videos, even across human and robots, by jointly using the latent action model and world model; (3) IGOR can learn to align latent actions with natural language through the foundation policy model, and integrate latent actions with a low-level policy model to achieve effective robot control. We believe IGOR opens new possibilities for human-to-robot knowledge transfer and control.

Character animation in real-world scenarios necessitates a variety of constraints, such as trajectories, key-frames, interactions, etc. Existing methodologies typically treat single or a finite set of these constraint(s) as separate control tasks. They are often specialized, and the tasks they address are rarely extendable or customizable. We categorize these as solutions to the close-set motion control problem. In response to the complexity of practical motion control, we propose and attempt to solve the open-set motion control problem. This problem is characterized by an open and fully customizable set of motion control tasks. To address this, we introduce a new paradigm, programmable motion generation. In this paradigm, any given motion control task is broken down into a combination of atomic constraints. These constraints are then programmed into an error function that quantifies the degree to which a motion sequence adheres to them. We utilize a pre-trained motion generation model and optimize its latent code to minimize the error function of the generated motion. Consequently, the generated motion not only inherits the prior of the generative model but also satisfies the required constraints. Experiments show that we can generate high-quality motions when addressing a wide range of unseen tasks. These tasks encompass motion control by motion dynamics, geometric constraints, physical laws, interactions with scenes, objects or the character own body parts, etc. All of these are achieved in a unified approach, without the need for ad-hoc paired training data collection or specialized network designs. During the programming of novel tasks, we observed the emergence of new skills beyond those of the prior model. With the assistance of large language models, we also achieved automatic programming. We hope that this work will pave the way for the motion control of general AI agents.

The rapid advancements in artificial intelligence (AI) are catalyzing transformative changes in atomic modeling, simulation, and design. AI-driven potential energy models have demonstrated the capability to conduct large-scale, long-duration simulations with the accuracy of ab initio electronic structure methods. However, the model generation process remains a bottleneck for large-scale applications. We propose a shift towards a model-centric ecosystem, wherein a large atomic model (LAM), pre-trained across multiple disciplines, can be efficiently fine-tuned and distilled for various downstream tasks, thereby establishing a new framework for molecular modeling. In this study, we introduce the DPA-2 architecture as a prototype for LAMs. Pre-trained on a diverse array of chemical and materials systems using a multi-task approach, DPA-2 demonstrates superior generalization capabilities across multiple downstream tasks compared to the traditional single-task pre-training and fine-tuning methodologies. Our approach sets the stage for the development and broad application of LAMs in molecular and materials simulation research.

Foundation models have been transformational in machine learning fields such as natural language processing and computer vision. Similar success in atomic property prediction has been limited due to the challenges of training effective models across multiple chemical domains. To address this, we introduce Joint Multi-domain Pre-training (JMP), a supervised pre-training strategy that simultaneously trains on multiple datasets from different chemical domains, treating each dataset as a unique pre-training task within a multi-task framework. Our combined training dataset consists of sim120M systems from OC20, OC22, ANI-1x, and Transition-1x. We evaluate performance and generalization by fine-tuning over a diverse set of downstream tasks and datasets including: QM9, rMD17, MatBench, QMOF, SPICE, and MD22. JMP demonstrates an average improvement of 59% over training from scratch, and matches or sets state-of-the-art on 34 out of 40 tasks. Our work highlights the potential of pre-training strategies that utilize diverse data to advance property prediction across chemical domains, especially for low-data tasks.

Language-guided human motion synthesis has been a challenging task due to the inherent complexity and diversity of human behaviors. Previous methods face limitations in generalization to novel actions, often resulting in unrealistic or incoherent motion sequences. In this paper, we propose ATOM (ATomic mOtion Modeling) to mitigate this problem, by decomposing actions into atomic actions, and employing a curriculum learning strategy to learn atomic action composition. First, we disentangle complex human motions into a set of atomic actions during learning, and then assemble novel actions using the learned atomic actions, which offers better adaptability to new actions. Moreover, we introduce a curriculum learning training strategy that leverages masked motion modeling with a gradual increase in the mask ratio, and thus facilitates atomic action assembly. This approach mitigates the overfitting problem commonly encountered in previous methods while enforcing the model to learn better motion representations. We demonstrate the effectiveness of ATOM through extensive experiments, including text-to-motion and action-to-motion synthesis tasks. We further illustrate its superiority in synthesizing plausible and coherent text-guided human motion sequences.

Understanding accurate atomic temporal event is essential for video comprehension. However, current video-language benchmarks often fall short to evaluate Large Multi-modal Models' (LMMs) temporal event understanding capabilities, as they can be effectively addressed using image-language models. In this paper, we introduce RTime-QA, a novel benchmark specifically designed to assess the atomic temporal event understanding ability of LMMs. RTime-QA comprises 822 high-quality, carefully-curated video-text questions, each meticulously annotated by human experts. Each question features a video depicting an atomic temporal event, paired with both correct answers and temporal negative descriptions, specifically designed to evaluate temporal understanding. To advance LMMs' temporal event understanding ability, we further introduce RTime-IT, a 14k instruction-tuning dataset that employs a similar annotation process as RTime-QA. Extensive experimental analysis demonstrates that RTime-QA presents a significant challenge for LMMs: the state-of-the-art model Qwen2-VL achieves only 34.6 on strict-ACC metric, substantially lagging behind human performance. Furthermore, our experiments reveal that RTime-IT effectively enhance LMMs' capacity in temporal understanding. By fine-tuning on RTime-IT, our Qwen2-VL achieves 65.9 on RTime-QA.

Embodied capabilities refer to a suite of fundamental abilities for an agent to perceive, comprehend, and interact with the physical world. While multimodal large language models (MLLMs) show promise as embodied agents, a thorough and systematic evaluation of their embodied capabilities remains underexplored, as existing benchmarks primarily focus on specific domains such as planning or spatial understanding. To bridge this gap, we introduce BEAR, a comprehensive and fine-grained benchmark that evaluates MLLMs on atomic embodied capabilities. BEAR comprises 4,469 interleaved image-video-text entries across 14 domains in 6 categories, including tasks from low-level pointing, trajectory understanding, spatial reasoning, to high-level planning. Extensive evaluation results of 20 representative MLLMs reveal their persistent limitations across all domains of embodied capabilities. To tackle the shortfall, we propose BEAR-Agent, a multimodal conversable agent that integrates pretrained vision models to strengthen MLLM perception, 3D understanding, and planning capabilities. It substantially enhances MLLM performance across diverse embodied capabilities on BEAR, yielding a 9.12% absolute gain and a relative improvement of 17.5% on GPT-5. Furthermore, our experiments indicate that improving MLLM embodied capabilities can benefit embodied tasks in simulated environments. Project website: https://bear-official66.github.io/

Sparse autoencoders (SAEs) are a technique for sparse decomposition of neural network activations into human-interpretable features. However, current SAEs suffer from feature absorption, where specialized features capture instances of general features creating representation holes, and feature composition, where independent features merge into composite representations. In this work, we introduce Orthogonal SAE (OrtSAE), a novel approach aimed to mitigate these issues by enforcing orthogonality between the learned features. By implementing a new training procedure that penalizes high pairwise cosine similarity between SAE features, OrtSAE promotes the development of disentangled features while scaling linearly with the SAE size, avoiding significant computational overhead. We train OrtSAE across different models and layers and compare it with other methods. We find that OrtSAE discovers 9% more distinct features, reduces feature absorption (by 65%) and composition (by 15%), improves performance on spurious correlation removal (+6%), and achieves on-par performance for other downstream tasks compared to traditional SAEs.

This paper challenges the recent paradigm in atomic property prediction that links progress to growing dataset sizes and computational resources. We show that pretraining on a carefully selected, task-relevant dataset can match or even surpass large-scale pretraining, while using as little as 1/24th of the computational cost. We introduce the Chemical Similarity Index (CSI), a novel metric inspired by computer vision's Fr\'echet Inception Distance, for molecular graphs which quantifies the alignment between upstream pretraining datasets and downstream tasks. By selecting the most relevant dataset with minimal CSI distance, we show that models pretrained on a smaller, focused dataset consistently outperform those pretrained on massive, mixed datasets such as JMP, even when those larger datasets include the relevant dataset. Counterintuitively, we also find that indiscriminately adding more data can degrade model performance when the additional data poorly aligns with the task at hand. Our findings highlight that quality often outperforms quantity in pretraining for atomic property prediction.

Equipping agents with memory is essential for solving real-world long-horizon problems. However, most existing agent memory mechanisms rely on static and hand-crafted workflows. This limits the performance and generalization ability of these memory designs, which highlights the need for a more flexible, learning-based memory framework. In this paper, we propose AtomMem, which reframes memory management as a dynamic decision-making problem. We deconstruct high-level memory processes into fundamental atomic CRUD (Create, Read, Update, Delete) operations, transforming the memory workflow into a learnable decision process. By combining supervised fine-tuning with reinforcement learning, AtomMem learns an autonomous, task-aligned policy to orchestrate memory behaviors tailored to specific task demands. Experimental results across 3 long-context benchmarks demonstrate that the trained AtomMem-8B consistently outperforms prior static-workflow memory methods. Further analysis of training dynamics shows that our learning-based formulation enables the agent to discover structured, task-aligned memory management strategies, highlighting a key advantage over predefined routines.

Text-to-SQL technology has evolved rapidly, with diverse academic methods achieving impressive results. However, deploying these techniques in real-world systems remains challenging due to limited integration tools. Despite these advances, we introduce Squrve, a unified, modular, and extensive Text-to-SQL framework designed to bring together research advances and real-world applications. Squrve first establishes a universal execution paradigm that standardizes invocation interfaces, then proposes a multi-actor collaboration mechanism based on seven abstracted effective atomic actor components. Experiments on widely adopted benchmarks demonstrate that the collaborative workflows consistently outperform the original individual methods, thereby opening up a new effective avenue for tackling complex real-world queries. The codes are available at https://github.com/Satissss/Squrve.

Large language models (LLMs) are trained on extensive datasets that encapsulate substantial world knowledge. However, their outputs often include confidently stated inaccuracies. Earlier works suggest that LLMs encode truthfulness as a distinct linear feature, termed the "truth direction", which can classify truthfulness reliably. We address several open questions about the truth direction: (i) whether LLMs universally exhibit consistent truth directions; (ii) whether sophisticated probing techniques are necessary to identify truth directions; and (iii) how the truth direction generalizes across diverse contexts. Our findings reveal that not all LLMs exhibit consistent truth directions, with stronger representations observed in more capable models, particularly in the context of logical negation. Additionally, we demonstrate that truthfulness probes trained on declarative atomic statements can generalize effectively to logical transformations, question-answering tasks, in-context learning, and external knowledge sources. Finally, we explore the practical application of truthfulness probes in selective question-answering, illustrating their potential to improve user trust in LLM outputs. These results advance our understanding of truth directions and provide new insights into the internal representations of LLM beliefs. Our code is public at https://github.com/colored-dye/truthfulness_probe_generalization

Recent reinforcement learning (RL) techniques have yielded impressive reasoning improvements in language models, yet it remains unclear whether post-training truly extends a model's reasoning ability beyond what it acquires during pre-training. A central challenge is the lack of control in modern training pipelines: large-scale pre-training corpora are opaque, mid-training is often underexamined, and RL objectives interact with unknown prior knowledge in complex ways. To resolve this ambiguity, we develop a fully controlled experimental framework that isolates the causal contributions of pre-training, mid-training, and RL-based post-training. Our approach employs synthetic reasoning tasks with explicit atomic operations, parseable step-by-step reasoning traces, and systematic manipulation of training distributions. We evaluate models along two axes: extrapolative generalization to more complex compositions and contextual generalization across surface contexts. Using this framework, we reconcile competing views on RL's effectiveness. We show that: 1) RL produces true capability gains (pass@128) only when pre-training leaves sufficient headroom and when RL data target the model's edge of competence, tasks at the boundary that are difficult but not yet out of reach. 2) Contextual generalization requires minimal yet sufficient pre-training exposure, after which RL can reliably transfer. 3) Mid-training significantly enhances performance under fixed compute compared with RL only, demonstrating its central but underexplored role in training pipelines. 4) Process-level rewards reduce reward hacking and improve reasoning fidelity. Together, these results clarify the interplay between pre-training, mid-training, and RL, offering a foundation for understanding and improving reasoning LM training strategies.

Many motion-centric video analysis tasks, such as atomic actions, detecting atypical motor behavior in individuals with autism, or analyzing articulatory motion in real-time MRI of human speech, require efficient and interpretable temporal modeling. Capturing temporal dynamics is a central challenge in video analysis, often requiring significant computational resources and fine-grained annotations that are not widely available. This paper presents MOOSE (Motion Flow Over Spatial Space), a novel temporally-centric video encoder explicitly integrating optical flow with spatial embeddings to model temporal information efficiently, inspired by human perception of motion. Unlike prior models, MOOSE takes advantage of rich, widely available pre-trained visual and optical flow encoders instead of training video models from scratch. This significantly reduces computational complexity while enhancing temporal interpretability. Our primary contributions includes (1) proposing a computationally efficient temporally-centric architecture for video understanding (2) demonstrating enhanced interpretability in modeling temporal dynamics; and (3) achieving state-of-the-art performance on diverse benchmarks, including clinical, medical, and standard action recognition datasets, confirming the broad applicability and effectiveness of our approach.

There has recently been considerable interest in incorporating information retrieval into large language models (LLMs). Retrieval from a dynamically expanding external corpus of text allows a model to incorporate current events and can be viewed as a form of episodic memory. Here we demonstrate that pre-processing the external corpus into semi-structured ''atomic facts'' makes retrieval more efficient. More specifically, we demonstrate that our particular form of atomic facts improves performance on various question answering tasks when the amount of retrieved text is limited. Limiting the amount of retrieval reduces the size of the context and improves inference efficiency.

Generative Flow Networks (GFlowNets) have recently emerged as a suitable framework for generating diverse and high-quality molecular structures by learning from rewards treated as unnormalized distributions. Previous works in this framework often restrict exploration by using predefined molecular fragments as building blocks, limiting the chemical space that can be accessed. In this work, we introduce Atomic GFlowNets (A-GFNs), a foundational generative model leveraging individual atoms as building blocks to explore drug-like chemical space more comprehensively. We propose an unsupervised pre-training approach using drug-like molecule datasets, which teaches A-GFNs about inexpensive yet informative molecular descriptors such as drug-likeliness, topological polar surface area, and synthetic accessibility scores. These properties serve as proxy rewards, guiding A-GFNs towards regions of chemical space that exhibit desirable pharmacological properties. We further implement a goal-conditioned finetuning process, which adapts A-GFNs to optimize for specific target properties. In this work, we pretrain A-GFN on a subset of ZINC dataset, and by employing robust evaluation metrics we show the effectiveness of our approach when compared to other relevant baseline methods for a wide range of drug design tasks. The code is accessible at https://github.com/diamondspark/AGFN.

We introduce QwenLong-L1.5, a model that achieves superior long-context reasoning capabilities through systematic post-training innovations. The key technical breakthroughs of QwenLong-L1.5 are as follows: (1) Long-Context Data Synthesis Pipeline: We develop a systematic synthesis framework that generates challenging reasoning tasks requiring multi-hop grounding over globally distributed evidence. By deconstructing documents into atomic facts and their underlying relationships, and then programmatically composing verifiable reasoning questions, our approach creates high-quality training data at scale, moving substantially beyond simple retrieval tasks to enable genuine long-range reasoning capabilities. (2) Stabilized Reinforcement Learning for Long-Context Training: To overcome the critical instability in long-context RL, we introduce task-balanced sampling with task-specific advantage estimation to mitigate reward bias, and propose Adaptive Entropy-Controlled Policy Optimization (AEPO) that dynamically regulates exploration-exploitation trade-offs. (3) Memory-Augmented Architecture for Ultra-Long Contexts: Recognizing that even extended context windows cannot accommodate arbitrarily long sequences, we develop a memory management framework with multi-stage fusion RL training that seamlessly integrates single-pass reasoning with iterative memory-based processing for tasks exceeding 4M tokens. Based on Qwen3-30B-A3B-Thinking, QwenLong-L1.5 achieves performance comparable to GPT-5 and Gemini-2.5-Pro on long-context reasoning benchmarks, surpassing its baseline by 9.90 points on average. On ultra-long tasks (1M~4M tokens), QwenLong-L1.5's memory-agent framework yields a 9.48-point gain over the agent baseline. Additionally, the acquired long-context reasoning ability translates to enhanced performance in general domains like scientific reasoning, memory tool using, and extended dialogue.

Precise control over language model generation is vital for ensuring both safety and reliability. Although prompt engineering and steering are commonly used to intervene in model behaviors, the vast number of parameters in models often results in highly intertwined internal representations. This interdependency can limit control precision and sometimes lead to unintended side effects. Recent research has explored the use of sparse autoencoders (SAE) to disentangle knowledge in high-dimensional spaces for steering. However, these applications have been limited to toy tasks owing to the nontrivial issue of locating atomic knowledge components. In this paper, we propose Steering Target Atoms (STA), a novel method that isolates and manipulates disentangled knowledge components to enhance safety. Comprehensive experiments demonstrate the effectiveness of our approach. Further analysis reveals that steering exhibits superior robustness and flexibility, particularly in adversarial scenarios. We also apply the steering strategy to the large reasoning model, confirming its effectiveness in precise reasoning control.

This paper presents the Holistic and Multi-Granular Surgical Scene Understanding of Prostatectomies (GraSP) dataset, a curated benchmark that models surgical scene understanding as a hierarchy of complementary tasks with varying levels of granularity. Our approach encompasses long-term tasks, such as surgical phase and step recognition, and short-term tasks, including surgical instrument segmentation and atomic visual actions detection. To exploit our proposed benchmark, we introduce the Transformers for Actions, Phases, Steps, and Instrument Segmentation (TAPIS) model, a general architecture that combines a global video feature extractor with localized region proposals from an instrument segmentation model to tackle the multi-granularity of our benchmark. Through extensive experimentation in ours and alternative benchmarks, we demonstrate TAPIS's versatility and state-of-the-art performance across different tasks. This work represents a foundational step forward in Endoscopic Vision, offering a novel framework for future research towards holistic surgical scene understanding.

Agentic systems increasingly rely on reusable procedural capabilities, a.k.a., agentic skills, to execute long-horizon workflows reliably. These capabilities are callable modules that package procedural knowledge with explicit applicability conditions, execution policies, termination criteria, and reusable interfaces. Unlike one-off plans or atomic tool calls, skills operate (and often do well) across tasks. This paper maps the skill layer across the full lifecycle (discovery, practice, distillation, storage, composition, evaluation, and update) and introduces two complementary taxonomies. The first is a system-level set of seven design patterns capturing how skills are packaged and executed in practice, from metadata-driven progressive disclosure and executable code skills to self-evolving libraries and marketplace distribution. The second is an orthogonal representation times scope taxonomy describing what skills are (natural language, code, policy, hybrid) and what environments they operate over (web, OS, software engineering, robotics). We analyze the security and governance implications of skill-based agents, covering supply-chain risks, prompt injection via skill payloads, and trust-tiered execution, grounded by a case study of the ClawHavoc campaign in which nearly 1{,}200 malicious skills infiltrated a major agent marketplace, exfiltrating API keys, cryptocurrency wallets, and browser credentials at scale. We further survey deterministic evaluation approaches, anchored by recent benchmark evidence that curated skills can substantially improve agent success rates while self-generated skills may degrade them. We conclude with open challenges toward robust, verifiable, and certifiable skills for real-world autonomous agents.

We present OmniJARVIS, a novel Vision-Language-Action (VLA) model for open-world instruction-following agents in open-world Minecraft. Compared to prior works that either emit textual goals to separate controllers or produce the control command directly, OmniJARVIS seeks a different path to ensure both strong reasoning and efficient decision-making capabilities via unified tokenization of multimodal interaction data. First, we introduce a self-supervised approach to learn a behavior encoder that produces discretized tokens for behavior trajectories tau = {o_0, a_0, dots} and an imitation learning (IL) policy decoder conditioned on these tokens. These additional behavior tokens will be augmented to the vocabulary of pretrained Multimodal Language Models (MLMs). With this encoder, we then pack long-term multimodal interactions involving task instructions, memories, thoughts, observations, textual responses, behavior trajectories, etc. into unified token sequences and model them with autoregressive transformers. Thanks to the semantically meaningful behavior tokens, the resulting VLA model, OmniJARVIS, can reason (by producing chain-of-thoughts), plan, answer questions, and act (by producing behavior tokens for the IL policy decoder). OmniJARVIS demonstrates excellent performances on a comprehensive collection of atomic, programmatic, and open-ended tasks in open-world Minecraft. Our analysis further unveils the crucial design principles in interaction data formation, unified tokenization, and its scaling potentials.

Current evaluations of Large Language Model (LLM) agents primarily emphasize task completion, often overlooking resource efficiency and adaptability. This neglects a crucial capability: agents' ability to devise and adjust cost-optimal plans in response to changing environments. To bridge this gap, we introduce CostBench, a scalable, cost-centric benchmark designed to evaluate agents' economic reasoning and replanning abilities. Situated in the travel-planning domain, CostBench comprises tasks solvable via multiple sequences of atomic and composite tools with diverse, customizable costs. It also supports four types of dynamic blocking events, such as tool failures and cost changes, to simulate real-world unpredictability and necessitate agents to adapt in real time. Evaluating leading open-sourced and proprietary models on CostBench reveals a substantial gap in cost-aware planning: agents frequently fail to identify cost-optimal solutions in static settings, with even GPT-5 achieving less than 75% exact match rate on the hardest tasks, and performance further dropping by around 40% under dynamic conditions. By diagnosing these weaknesses, CostBench lays the groundwork for developing future agents that are both economically rational and robust.

Recent works in Natural Language Inference (NLI) and related tasks, such as automated fact-checking, employ atomic fact decomposition to enhance interpretability and robustness. For this, existing methods rely on resource-intensive generative large language models (LLMs) to perform decomposition. We propose JEDI, an encoder-only architecture that jointly performs extractive atomic fact decomposition and interpretable inference without requiring generative models during inference. To facilitate training, we produce a large corpus of synthetic rationales covering multiple NLI benchmarks. Experimental results demonstrate that JEDI achieves competitive accuracy in distribution and significantly improves robustness out of distribution and in adversarial settings over models based solely on extractive rationale supervision. Our findings show that interpretability and robust generalization in NLI can be realized using encoder-only architectures and synthetic rationales. Code and data available at https://jedi.nicpopovic.com

Tool-augmented large language models (LLMs), hereafter LLM agents, leverage external tools to solve diverse tasks and interface with the real world. However, current training practices largely rely on supervised fine-tuning (SFT) over static trajectories or reinforcement learning (RL) on narrow tasks, and generalize poorly beyond development settings, leading to brittleness with new tools and unseen workflows. Because code execution reflects many structures of real-world workflows, coding problems provide a natural basis for building agent training environments. Motivated by this, we introduce CodeGym, a scalable framework that synthesizes diverse, verifiable, and controllable multi-turn tool-use environments for agent RL, enabling LLM agents to explore and master various workflows actively. CodeGym rewrites static coding problems into interactive environments by extracting atomic functions or logic into callable tools, yielding verifiable tasks that span various tool-execution workflows. Models of varying sizes and chain-of-thought configurations, trained in CodeGym, exhibit consistent out-of-distribution generalizability; for example, Qwen2.5-32B-Instruct achieves an absolute accuracy gain of 8.7 points on the OOD benchmark tau-Bench. These results highlight CodeGym as a step toward scalable general-purpose RL environments that align with real-world agent workflows.

Molecular dynamics (MD) simulations are essential for understanding atomic-scale behaviors in materials science, yet writing LAMMPS scripts remains highly specialized and time-consuming tasks. Although LLMs show promise in code generation and domain-specific question answering, their performance in MD scenarios is limited by scarce domain data, the high deployment cost of state-of-the-art LLMs, and low code executability. Building upon our prior MDAgent, we present MDAgent2, the first end-to-end framework capable of performing both knowledge Q&A and code generation within the MD domain. We construct a domain-specific data-construction pipeline that yields three high-quality datasets spanning MD knowledge, question answering, and code generation. Based on these datasets, we adopt a three stage post-training strategy--continued pre-training (CPT), supervised fine-tuning (SFT), and reinforcement learning (RL)--to train two domain-adapted models, MD-Instruct and MD-Code. Furthermore, we introduce MD-GRPO, a closed-loop RL method that leverages simulation outcomes as reward signals and recycles low-reward trajectories for continual refinement. We further build MDAgent2-RUNTIME, a deployable multi-agent system that integrates code generation, execution, evaluation, and self-correction. Together with MD-EvalBench proposed in this work, the first benchmark for LAMMPS code generation and question answering, our models and system achieve performance surpassing several strong baselines.This work systematically demonstrates the adaptability and generalization capability of large language models in industrial simulation tasks, laying a methodological foundation for automatic code generation in AI for Science and industrial-scale simulations. URL: https://github.com/FredericVAN/PKU_MDAgent2

Current safety evaluations for LLM-driven agents primarily focus on atomic harms, failing to address sophisticated threats where malicious intent is concealed or diluted within complex tasks. We address this gap with a two-dimensional analysis of agent safety brittleness under the orthogonal pressures of intent concealment and task complexity. To enable this, we introduce OASIS (Orthogonal Agent Safety Inquiry Suite), a hierarchical benchmark with fine-grained annotations and a high-fidelity simulation sandbox. Our findings reveal two critical phenomena: safety alignment degrades sharply and predictably as intent becomes obscured, and a "Complexity Paradox" emerges, where agents seem safer on harder tasks only due to capability limitations. By releasing OASIS and its simulation environment, we provide a principled foundation for probing and strengthening agent safety in these overlooked dimensions.

Convolution has been the core ingredient of modern neural networks, triggering the surge of deep learning in vision. In this work, we rethink the inherent principles of standard convolution for vision tasks, specifically spatial-agnostic and channel-specific. Instead, we present a novel atomic operation for deep neural networks by inverting the aforementioned design principles of convolution, coined as involution. We additionally demystify the recent popular self-attention operator and subsume it into our involution family as an over-complicated instantiation. The proposed involution operator could be leveraged as fundamental bricks to build the new generation of neural networks for visual recognition, powering different deep learning models on several prevalent benchmarks, including ImageNet classification, COCO detection and segmentation, together with Cityscapes segmentation. Our involution-based models improve the performance of convolutional baselines using ResNet-50 by up to 1.6% top-1 accuracy, 2.5% and 2.4% bounding box AP, and 4.7% mean IoU absolutely while compressing the computational cost to 66%, 65%, 72%, and 57% on the above benchmarks, respectively. Code and pre-trained models for all the tasks are available at https://github.com/d-li14/involution.

Real-world tool-using agents operate over long-horizon workflows with recurring structure and diverse demands, where effective behavior requires not only invoking atomic tools but also abstracting, and reusing higher-level tool compositions. However, existing benchmarks mainly measure instance-level success under static tool sets, offering limited insight into agents' ability to acquire such reusable skills. We address this gap by introducing SkillCraft, a benchmark explicitly stress-test agent ability to form and reuse higher-level tool compositions, where we call Skills. SkillCraft features realistic, highly compositional tool-use scenarios with difficulty scaled along both quantitative and structural dimensions, designed to elicit skill abstraction and cross-task reuse. We further propose a lightweight evaluation protocol that enables agents to auto-compose atomic tools into executable Skills, cache and reuse them inside and across tasks, thereby improving efficiency while accumulating a persistent library of reusable skills. Evaluating state-of-the-art agents on SkillCraft, we observe substantial efficiency gains, with token usage reduced by up to 80% by skill saving and reuse. Moreover, success rate strongly correlates with tool composition ability at test time, underscoring compositional skill acquisition as a core capability.

Recent advances in diffusion models have shown remarkable potential in the conditional generation of novel molecules. These models can be guided in two ways: (i) explicitly, through additional features representing the condition, or (ii) implicitly, using a property predictor. However, training property predictors or conditional diffusion models requires an abundance of labeled data and is inherently challenging in real-world applications. We propose a novel approach that attenuates the limitations of acquiring large labeled datasets by leveraging domain knowledge from quantum chemistry as a non-differentiable oracle to guide an unconditional diffusion model. Instead of relying on neural networks, the oracle provides accurate guidance in the form of estimated gradients, allowing the diffusion process to sample from a conditional distribution specified by quantum chemistry. We show that this results in more precise conditional generation of novel and stable molecular structures. Our experiments demonstrate that our method: (1) significantly reduces atomic forces, enhancing the validity of generated molecules when used for stability optimization; (2) is compatible with both explicit and implicit guidance in diffusion models, enabling joint optimization of molecular properties and stability; and (3) generalizes effectively to molecular optimization tasks beyond stability optimization.

We introduce Robix, a unified model that integrates robot reasoning, task planning, and natural language interaction within a single vision-language architecture. Acting as the high-level cognitive layer in a hierarchical robot system, Robix dynamically generates atomic commands for the low-level controller and verbal responses for human interaction, enabling robots to follow complex instructions, plan long-horizon tasks, and interact naturally with human within an end-to-end framework. Robix further introduces novel capabilities such as proactive dialogue, real-time interruption handling, and context-aware commonsense reasoning during task execution. At its core, Robix leverages chain-of-thought reasoning and adopts a three-stage training strategy: (1) continued pretraining to enhance foundational embodied reasoning abilities including 3D spatial understanding, visual grounding, and task-centric reasoning; (2) supervised finetuning to model human-robot interaction and task planning as a unified reasoning-action sequence; and (3) reinforcement learning to improve reasoning-action consistency and long-horizon task coherence. Extensive experiments demonstrate that Robix outperforms both open-source and commercial baselines (e.g., GPT-4o and Gemini 2.5 Pro) in interactive task execution, demonstrating strong generalization across diverse instruction types (e.g., open-ended, multi-stage, constrained, invalid, and interrupted) and various user-involved tasks such as table bussing, grocery shopping, and dietary filtering.

The Instruction Following (IF) ability measures how well Multi-modal Large Language Models (MLLMs) understand exactly what users are telling them and whether they are doing it right. Existing multimodal instruction following training data is scarce, the benchmarks are simple with atomic instructions, and the evaluation strategies are imprecise for tasks demanding exact output constraints. To address this, we present MM-IFEngine, an effective pipeline to generate high-quality image-instruction pairs. Our MM-IFEngine pipeline yields large-scale, diverse, and high-quality training data MM-IFInstruct-23k, which is suitable for Supervised Fine-Tuning (SFT) and extended as MM-IFDPO-23k for Direct Preference Optimization (DPO). We further introduce MM-IFEval, a challenging and diverse multi-modal instruction-following benchmark that includes (1) both compose-level constraints for output responses and perception-level constraints tied to the input images, and (2) a comprehensive evaluation pipeline incorporating both rule-based assessment and judge model. We conduct SFT and DPO experiments and demonstrate that fine-tuning MLLMs on MM-IFInstruct-23k and MM-IFDPO-23k achieves notable gains on various IF benchmarks, such as MM-IFEval (+10.2%), MIA (+7.6%), and IFEval (+12.3%). The full data and evaluation code will be released on https://github.com/SYuan03/MM-IFEngine.

As model context lengths continue to grow, concerns about whether models effectively use the full context length have persisted. While several carefully designed long-context evaluations have recently been released, these evaluations tend to rely on retrieval from one or more sections of the context, which allows nearly all of the context tokens to be disregarded as noise. This represents only one type of task that might be performed with long context. We introduce Oolong, a benchmark of long-context reasoning tasks that require analyzing individual chunks of text on an atomic level, and then aggregating these analyses to answer distributional questions. Oolong is separated into two task sets: Oolong-synth, a set of naturalistic synthetic tasks, where we can easily ablate components of the reasoning problem; and Oolong-real, a downstream setting which requires reasoning over real-world conversational data. Oolong requires models to reason over large quantities of examples, to perform both classification and counting in-context, and to reason over temporal and user relations. Even frontier models struggle on Oolong, with GPT-5, Claude-Sonnet-4, and Gemini-2.5-Pro all achieving less than 50% accuracy on both splits at 128K. We release the data and evaluation harness for Oolong to enable further development of models that can reason over large quantities of text.

In this paper, we address the challenging task of multimodal mathematical reasoning by incorporating the ability of ``slow thinking" into multimodal large language models (MLLMs). Contrary to existing methods that rely on direct or fast thinking, our key idea is to construct long chains of thought (CoT) consisting of atomic actions in a step-by-step manner, guiding MLLMs to perform complex reasoning. To this end, we design a novel AtomThink framework composed of three key modules: (i) a CoT annotation engine that automatically generates high-quality CoT annotations to address the lack of high-quality visual mathematical data; (ii) an atomic step fine-tuning strategy that jointly optimizes an MLLM and a policy reward model (PRM) for step-wise reasoning; and (iii) four different search strategies that can be applied with the PRM to complete reasoning. Additionally, we propose AtomMATH, a large-scale multimodal dataset of long CoTs, and an atomic capability evaluation metric for mathematical tasks. Extensive experimental results show that the proposed AtomThink significantly improves the performance of baseline MLLMs, achieving approximately 50\% relative accuracy gains on MathVista and 120\% on MathVerse. To support the advancement of multimodal slow-thinking models, we will make our code and dataset publicly available on https://github.com/Quinn777/AtomThink.

Multimodal Large Language Models (MLLMs) have achieved remarkable progress in various multimodal tasks. To pursue higher intelligence in space, MLLMs require integrating multiple atomic spatial capabilities to handle complex and dynamic tasks. However, existing benchmarks struggle to comprehensively evaluate the spatial intelligence of common MLLMs from the atomic level to the compositional level. To fill this gap, we present SpaCE-10, a comprehensive benchmark for compositional spatial evaluations. In SpaCE-10, we define 10 atomic spatial capabilities, which are combined to form 8 compositional capabilities. Based on these definitions, we propose a novel hierarchical annotation pipeline to generate high-quality and diverse question-answer (QA) pairs. With over 150+ hours of human expert effort, we obtain over 5k QA pairs for 811 real indoor scenes in SpaCE-10, which covers various evaluation settings like point cloud input and multi-choice QA. We conduct an extensive evaluation of common MLLMs on SpaCE-10 and find that even the most advanced MLLM still lags behind humans by large margins. Through our careful study, we also draw several significant findings that benefit the MLLM community. For example, we reveal that the shortcoming of counting capability greatly limits the compositional spatial capabilities of existing MLLMs. The evaluation code and benchmark datasets are available at https://github.com/Cuzyoung/SpaCE-10.

Large-scale foundation models (LFMs) have recently made impressive progress in text-to-motion generation by learning strong generative priors from massive 3D human motion datasets and paired text descriptions. However, how to effectively and efficiently leverage such single-purpose motion LFMs, i.e., text-to-motion synthesis, in more diverse cross-modal and in-context motion generation downstream tasks remains largely unclear. Prior work typically adapts pretrained generative priors to individual downstream tasks in a task-specific manner. In contrast, our goal is to unlock such priors to support a broad spectrum of downstream motion generation tasks within a single unified framework. To bridge this gap, we present UMO, a simple yet general unified formulation that casts diverse downstream tasks into compositions of atomic per-frame operations, enabling in-context adaptation to unlock the generative priors of pretrained DiT-based motion LFMs. Specifically, UMO introduces three learnable frame-level meta-operation embeddings to specify per-frame intent and employs lightweight temporal fusion to inject in-context cues into the pretrained backbone, with negligible runtime overhead compared to the base model. With this design, UMO finetunes the pretrained model, originally limited to text-to-motion generation, to support diverse previously unsupported tasks, including temporal inpainting, text-guided motion editing, text-serialized geometric constraints, and multi-identity reaction generation. Experiments demonstrate that UMO consistently outperforms task-specific and training-free baselines across a wide range of benchmarks, despite using a single unified model. Code and model will be publicly available. Project Page: https://oliver-cong02.github.io/UMO.github.io/

We introduce sub-sentence encoder, a contrastively-learned contextual embedding model for fine-grained semantic representation of text. In contrast to the standard practice with sentence embeddings, where the meaning of an entire sequence of text is encoded into a fixed-length vector, the sub-sentence encoder learns to produce distinct contextual embeddings corresponding to different atomic propositions, i.e. atomic units of meaning expressed within a text sequence. The sub-sentence embeddings are contrastively learned to recognize (inferred) semantic equivalence between propositions across different text sequences. Our experiments show the effectiveness of sub-sentence encoders in applications, such as retrieving supporting facts for fine-grained text attribution or recognizing the conditional semantic similarity between texts. In practice, we demonstrate that sub-sentence encoders keep the same level of inference cost and space complexity compared to sentence encoders.

In the development of science, accurate and reproducible documentation of the experimental process is crucial. Automatic recognition of the actions in experiments from videos would help experimenters by complementing the recording of experiments. Towards this goal, we propose FineBio, a new fine-grained video dataset of people performing biological experiments. The dataset consists of multi-view videos of 32 participants performing mock biological experiments with a total duration of 14.5 hours. One experiment forms a hierarchical structure, where a protocol consists of several steps, each further decomposed into a set of atomic operations. The uniqueness of biological experiments is that while they require strict adherence to steps described in each protocol, there is freedom in the order of atomic operations. We provide hierarchical annotation on protocols, steps, atomic operations, object locations, and their manipulation states, providing new challenges for structured activity understanding and hand-object interaction recognition. To find out challenges on activity understanding in biological experiments, we introduce baseline models and results on four different tasks, including (i) step segmentation, (ii) atomic operation detection (iii) object detection, and (iv) manipulated/affected object detection. Dataset and code are available from https://github.com/aistairc/FineBio.

Investigating whether pre-trained language models (LMs) can function as knowledge bases (KBs) has raised wide research interests recently. However, existing works focus on simple, triple-based, relational KBs, but omit more sophisticated, logic-based, conceptualised KBs such as OWL ontologies. To investigate an LM's knowledge of ontologies, we propose OntoLAMA, a set of inference-based probing tasks and datasets from ontology subsumption axioms involving both atomic and complex concepts. We conduct extensive experiments on ontologies of different domains and scales, and our results demonstrate that LMs encode relatively less background knowledge of Subsumption Inference (SI) than traditional Natural Language Inference (NLI) but can improve on SI significantly when a small number of samples are given. We will open-source our code and datasets.

While large language models (LLMs) with reasoning capabilities are progressing rapidly on high-school math competitions and coding, can they reason effectively through complex, open-ended challenges found in frontier physics research? And crucially, what kinds of reasoning tasks do physicists want LLMs to assist with? To address these questions, we present the CritPt (Complex Research using Integrated Thinking - Physics Test, pronounced "critical point"), the first benchmark designed to test LLMs on unpublished, research-level reasoning tasks that broadly covers modern physics research areas, including condensed matter, quantum physics, atomic, molecular & optical physics, astrophysics, high energy physics, mathematical physics, statistical physics, nuclear physics, nonlinear dynamics, fluid dynamics and biophysics. CritPt consists of 71 composite research challenges designed to simulate full-scale research projects at the entry level, which are also decomposed to 190 simpler checkpoint tasks for more fine-grained insights. All problems are newly created by 50+ active physics researchers based on their own research. Every problem is hand-curated to admit a guess-resistant and machine-verifiable answer and is evaluated by an automated grading pipeline heavily customized for advanced physics-specific output formats. We find that while current state-of-the-art LLMs show early promise on isolated checkpoints, they remain far from being able to reliably solve full research-scale challenges: the best average accuracy among base models is only 4.0% , achieved by GPT-5 (high), moderately rising to around 10% when equipped with coding tools. Through the realistic yet standardized evaluation offered by CritPt, we highlight a large disconnect between current model capabilities and realistic physics research demands, offering a foundation to guide the development of scientifically grounded AI tools.

We introduce Orb-v3, the next generation of the Orb family of universal interatomic potentials. Models in this family expand the performance-speed-memory Pareto frontier, offering near SoTA performance across a range of evaluations with a >10x reduction in latency and > 8x reduction in memory. Our experiments systematically traverse this frontier, charting the trade-off induced by roto-equivariance, conservatism and graph sparsity. Contrary to recent literature, we find that non-equivariant, non-conservative architectures can accurately model physical properties, including those which require higher-order derivatives of the potential energy surface. This model release is guided by the principle that the most valuable foundation models for atomic simulation will excel on all fronts: accuracy, latency and system size scalability. The reward for doing so is a new era of computational chemistry driven by high-throughput and mesoscale all-atom simulations.

To pursue the goal of creating an open-ended agent in Minecraft, an open-ended game environment with unlimited possibilities, this paper introduces a task-centric framework named MCU for Minecraft agent evaluation. The MCU framework leverages the concept of atom tasks as fundamental building blocks, enabling the generation of diverse or even arbitrary tasks. Within the MCU framework, each task is measured with six distinct difficulty scores (time consumption, operational effort, planning complexity, intricacy, creativity, novelty). These scores offer a multi-dimensional assessment of a task from different angles, and thus can reveal an agent's capability on specific facets. The difficulty scores also serve as the feature of each task, which creates a meaningful task space and unveils the relationship between tasks. For efficient evaluation of Minecraft agents employing the MCU framework, we maintain a unified benchmark, namely SkillForge, which comprises representative tasks with diverse categories and difficulty distribution. We also provide convenient filters for users to select tasks to assess specific capabilities of agents. We show that MCU has the high expressivity to cover all tasks used in recent literature on Minecraft agent, and underscores the need for advancements in areas such as creativity, precise control, and out-of-distribution generalization under the goal of open-ended Minecraft agent development.

Large language models (LLMs) are increasingly employed for complex multi-step planning tasks, where the tool retrieval (TR) step is crucial for achieving successful outcomes. Two prevalent approaches for TR are single-step retrieval, which utilizes the complete query, and sequential retrieval using task decomposition (TD), where a full query is segmented into discrete atomic subtasks. While single-step retrieval lacks the flexibility to handle "inter-tool dependency," the TD approach necessitates maintaining "subtask-tool atomicity alignment," as the toolbox can evolve dynamically. To address these limitations, we introduce the Progressive Tool retrieval to Improve Planning (ProTIP) framework. ProTIP is a lightweight, contrastive learning-based framework that implicitly performs TD without the explicit requirement of subtask labels, while simultaneously maintaining subtask-tool atomicity. On the ToolBench dataset, ProTIP outperforms the ChatGPT task decomposition-based approach by a remarkable margin, achieving a 24% improvement in Recall@K=10 for TR and a 41% enhancement in tool accuracy for plan generation.

AI agents have become increasingly capable at isolated software engineering (SWE) tasks such as resolving issues on Github. Yet long-horizon tasks involving multiple interdependent subtasks still pose challenges both with respect to accuracy, and with respect to timely completion. A natural approach to solving these long-horizon tasks in a timely manner is asynchronous multi-agent collaboration, where multiple agents work on different parts of the task at the same time. But effective application of multi-agent systems has proven surprisingly difficult: concurrent edits by multiple agents interfere with each other, dependencies are difficult to synchronize, and combining partial progress into a coherent whole is challenging. On the other hand, human developers have long relied on mature collaboration infrastructure to manage these challenges in large software projects. Inspired by these collaboration primitives, we introduce Centralized Asynchronous Isolated Delegation (CAID), a structured multi-agent coordination paradigm grounded in three core SWE primitives: centralized task delegation, asynchronous execution, and isolated workspaces. CAID constructs dependency-aware task plans through a central manager, executes subtasks concurrently in isolated workspaces, and consolidates progress via structured integration with executable test-based verification. In empirical evaluation, we find that CAID improves accuracy over single-agent baselines by 26.7% absolute on paper reproduction tasks (PaperBench) and 14.3% on Python library development tasks (Commit0). Through systematic analysis, we find that branch-and-merge is a central coordination mechanism for multi-agent collaboration, and that SWE primitives such as git worktree, git commit, and git merge enable it to be realized in a reliable and executable manner.

From professional research to everyday planning, many tasks are bottlenecked by wide-scale information seeking, which is more repetitive than cognitively complex. With the rapid development of Large Language Models (LLMs), automated search agents powered by LLMs offer a promising solution to liberate humans from this tedious work. However, the capability of these agents to perform such "wide-context" collection reliably and completely remains largely unevaluated due to a lack of suitable benchmarks. To bridge this gap, we introduce WideSearch, a new benchmark engineered to evaluate agent reliability on these large-scale collection tasks. The benchmark features 200 manually curated questions (100 in English, 100 in Chinese) from over 15 diverse domains, grounded in real user queries. Each task requires agents to collect large-scale atomic information, which could be verified one by one objectively, and arrange it into a well-organized output. A rigorous five-stage quality control pipeline ensures the difficulty, completeness, and verifiability of the dataset. We benchmark over 10 state-of-the-art agentic search systems, including single-agent, multi-agent frameworks, and end-to-end commercial systems. Most systems achieve overall success rates near 0\%, with the best performer reaching just 5\%. However, given sufficient time, cross-validation by multiple human testers can achieve a near 100\% success rate. These results demonstrate that present search agents have critical deficiencies in large-scale information seeking, underscoring urgent areas for future research and development in agentic search. Our dataset, evaluation pipeline, and benchmark results have been publicly released at https://widesearch-seed.github.io/

This article presents a review about the main CERN n\_TOF contributions to the field of neutron-capture experiments of interest for s-process nucleosynthesis studies over the last 25 years, with special focus on the measurement of radioactive isotopes. A few recent capture experiments on stable isotopes of astrophysical interest are also discussed. Results on s-process branching nuclei are appropriate to illustrate how advances in detection systems and upgrades in the facility have enabled increasingly challenging experiments and, as a consequence, have led to a better understanding and modeling of the s-process mechanism of nucleosynthesis. New endeavors combining radioactive-ion beams from ISOLDE for the production of radioisotopically pure samples for activation experiments at the new NEAR facility at n\_TOF are briefly discussed. On the basis of these new exciting results, also current limitations of state-of-the-art TOF and activation techniques will be depicted, thereby showing the pressing need for further upgrades and enhancements on both facilities and detection systems. A brief account of the potential technique based on inverse kinematics for direct neutron-capture measurements is also presented.

With generative AI advances, the exciting potential for autonomous agents to manage daily tasks via natural language commands has emerged. However, cur rent agents are primarily created and tested in simplified synthetic environments, substantially limiting real-world scenario representation. In this paper, we build an environment for agent command and control that is highly realistic and reproducible. Specifically, we focus on agents that perform tasks on websites, and we create an environment with fully functional websites from four common domains: e-commerce, social forum discussions, collaborative software development, and content management. Our environment is enriched with tools (e.g., a map) and external knowledge bases (e.g., user manuals) to encourage human-like task-solving. Building upon our environment, we release a set of benchmark tasks focusing on evaluating the functional correctness of task completions. The tasks in our benchmark are diverse, long-horizon, and are designed to emulate tasks that humans routinely perform on the internet. We design and implement several autonomous agents, integrating recent techniques such as reasoning before acting. The results demonstrate that solving complex tasks is challenging: our best GPT-4-based agent only achieves an end-to-end task success rate of 10.59%. These results highlight the need for further development of robust agents, that current state-of-the-art LMs are far from perfect performance in these real-life tasks, and that WebArena can be used to measure such progress. Our code, data, environment reproduction resources, and video demonstrations are publicly available at https://webarena.dev/.

We introduce featom, an open source code that implements a high-order finite element solver for the radial Schr\"odinger, Dirac, and Kohn-Sham equations. The formulation accommodates various mesh types, such as uniform or exponential, and the convergence can be systematically controlled by increasing the number and/or polynomial order of the finite element basis functions. The Dirac equation is solved using a squared Hamiltonian approach to eliminate spurious states. To address the slow convergence of the kappa=pm1 states due to divergent derivatives at the origin, we incorporate known asymptotic forms into the solutions. We achieve a high level of accuracy (10^{-8} Hartree) for total energies and eigenvalues of heavy atoms such as uranium in both Schr\"odinger and Dirac Kohn-Sham solutions. We provide detailed convergence studies and computational parameters required to attain commonly required accuracies. Finally, we compare our results with known analytic results as well as the results of other methods. In particular, we calculate benchmark results for atomic numbers (Z) from 1 to 92, verifying current benchmarks. We demonstrate significant speedup compared to the state-of-the-art shooting solver dftatom. An efficient, modular Fortran 2008 implementation, is provided under an open source, permissive license, including examples and tests, wherein particular emphasis is placed on the independence (no global variables), reusability, and generality of the individual routines.

AI agents may be able to automate your inbox, but can they automate other routine aspects of your life? Everyday online tasks offer a realistic yet unsolved testbed for evaluating the next generation of AI agents. To this end, we introduce ClawBench, an evaluation framework of 153 simple tasks that people need to accomplish regularly in their lives and work, spanning 144 live platforms across 15 categories, from completing purchases and booking appointments to submitting job applications. These tasks require demanding capabilities beyond existing benchmarks, such as obtaining relevant information from user-provided documents, navigating multi-step workflows across diverse platforms, and write-heavy operations like filling in many detailed forms correctly. Unlike existing benchmarks that evaluate agents in offline sandboxes with static pages, ClawBench operates on production websites, preserving the full complexity, dynamic nature, and challenges of real-world web interaction. A lightweight interception layer captures and blocks only the final submission request, ensuring safe evaluation without real-world side effects. Our evaluations of 7 frontier models show that both proprietary and open-source models can complete only a small portion of these tasks. For example, Claude Sonnet 4.6 achieves only 33.3%. Progress on ClawBench brings us closer to AI agents that can function as reliable general-purpose assistants.

Designing a generalist scientific agent capable of performing tasks in laboratory settings to assist researchers has become a key goal in recent Artificial Intelligence (AI) research. Unlike everyday tasks, scientific tasks are inherently more delicate and complex, requiring agents to possess a higher level of reasoning ability, structured and temporal understanding of their environment, and a strong emphasis on safety. Existing approaches often fail to address these multifaceted requirements. To tackle these challenges, we present DAVIS. Unlike traditional retrieval-augmented generation (RAG) approaches, DAVIS incorporates structured and temporal memory, which enables model-based planning. Additionally, DAVIS implements an agentic, multi-turn retrieval system, similar to a human's inner monologue, allowing for a greater degree of reasoning over past experiences. DAVIS demonstrates substantially improved performance on the ScienceWorld benchmark comparing to previous approaches on 8 out of 9 elementary science subjects. In addition, DAVIS's World Model demonstrates competitive performance on the famous HotpotQA and MusiqueQA dataset for multi-hop question answering. To the best of our knowledge, DAVIS is the first RAG agent to employ an interactive retrieval method in a RAG pipeline.

We introduce Dynatask: an open source system for setting up custom NLP tasks that aims to greatly lower the technical knowledge and effort required for hosting and evaluating state-of-the-art NLP models, as well as for conducting model in the loop data collection with crowdworkers. Dynatask is integrated with Dynabench, a research platform for rethinking benchmarking in AI that facilitates human and model in the loop data collection and evaluation. To create a task, users only need to write a short task configuration file from which the relevant web interfaces and model hosting infrastructure are automatically generated. The system is available at https://dynabench.org/ and the full library can be found at https://github.com/facebookresearch/dynabench.

We present a compact design of dual-beam Zeeman slower optimized for efficient production of cold atom applications. Traditional single-beam configurations face challenges from substantial residual atomic flux impacting downstream optical windows, resulting in increased system size, atomic deposition contamination, and a reduced operational lifetime. Our approach employs two oblique laser beams and a capillary-array collimation system to address these challenges while maintaining efficient deceleration. For rubidium (^{87}Rb), simulations demonstrate a significant increase in the fraction of atoms captured by a two-dimensional magneto-optical trap (2D-MOT) and nearly eliminate atom-induced contamination probability at optical windows, all within a compact Zeeman slower length of 44 cm. Experimental validation with Rb and Yb demonstrates highly efficient atomic loading within the same compact design. This advancement represents a substantial improvement for high-flux cold atom applications, providing reliable performance for high-precision metrology, quantum computation and simulation.

The recent success of Large Language Models (LLMs) signifies an impressive stride towards artificial general intelligence. They have shown a promising prospect in automatically completing tasks upon user instructions, functioning as brain-like coordinators. The associated risks will be revealed as we delegate an increasing number of tasks to machines for automated completion. A big question emerges: how can we make machines behave responsibly when helping humans automate tasks as personal copilots? In this paper, we explore this question in depth from the perspectives of feasibility, completeness and security. In specific, we present Responsible Task Automation (ResponsibleTA) as a fundamental framework to facilitate responsible collaboration between LLM-based coordinators and executors for task automation with three empowered capabilities: 1) predicting the feasibility of the commands for executors; 2) verifying the completeness of executors; 3) enhancing the security (e.g., the protection of users' privacy). We further propose and compare two paradigms for implementing the first two capabilities. One is to leverage the generic knowledge of LLMs themselves via prompt engineering while the other is to adopt domain-specific learnable models. Moreover, we introduce a local memory mechanism for achieving the third capability. We evaluate our proposed ResponsibleTA on UI task automation and hope it could bring more attentions to ensuring LLMs more responsible in diverse scenarios. The research project homepage is at https://task-automation-research.github.io/responsible_task_automation.

LLM agents hold significant promise for advancing scientific research. To accelerate this progress, we introduce AIRS-Bench (the AI Research Science Benchmark), a suite of 20 tasks sourced from state-of-the-art machine learning papers. These tasks span diverse domains, including language modeling, mathematics, bioinformatics, and time series forecasting. AIRS-Bench tasks assess agentic capabilities over the full research lifecycle -- including idea generation, experiment analysis and iterative refinement -- without providing baseline code. The AIRS-Bench task format is versatile, enabling easy integration of new tasks and rigorous comparison across different agentic frameworks. We establish baselines using frontier models paired with both sequential and parallel scaffolds. Our results show that agents exceed human SOTA in four tasks but fail to match it in sixteen others. Even when agents surpass human benchmarks, they do not reach the theoretical performance ceiling for the underlying tasks. These findings indicate that AIRS-Bench is far from saturated and offers substantial room for improvement. We open-source the AIRS-Bench task definitions and evaluation code to catalyze further development in autonomous scientific research.

Recently, text-to-motion models have opened new possibilities for creating realistic human motion with greater efficiency and flexibility. However, aligning motion generation with event-level textual descriptions presents unique challenges due to the complex relationship between textual prompts and desired motion outcomes. To address this, we introduce AToM, a framework that enhances the alignment between generated motion and text prompts by leveraging reward from GPT-4Vision. AToM comprises three main stages: Firstly, we construct a dataset MotionPrefer that pairs three types of event-level textual prompts with generated motions, which cover the integrity, temporal relationship and frequency of motion. Secondly, we design a paradigm that utilizes GPT-4Vision for detailed motion annotation, including visual data formatting, task-specific instructions and scoring rules for each sub-task. Finally, we fine-tune an existing text-to-motion model using reinforcement learning guided by this paradigm. Experimental results demonstrate that AToM significantly improves the event-level alignment quality of text-to-motion generation.

The 1st Workshop on Data Contamination (CONDA 2024) focuses on all relevant aspects of data contamination in natural language processing, where data contamination is understood as situations where evaluation data is included in pre-training corpora used to train large scale models, compromising evaluation results. The workshop fostered a shared task to collect evidence on data contamination in current available datasets and models. The goal of the shared task and associated database is to assist the community in understanding the extent of the problem and to assist researchers in avoiding reporting evaluation results on known contaminated resources. The shared task provides a structured, centralized public database for the collection of contamination evidence, open to contributions from the community via GitHub pool requests. This first compilation paper is based on 566 reported entries over 91 contaminated sources from a total of 23 contributors. The details of the individual contamination events are available in the platform. The platform continues to be online, open to contributions from the community.

For decades, researchers have developed task-specific models to address scientific challenges across diverse disciplines. Recently, large language models (LLMs) have shown enormous capabilities in handling general tasks; however, these models encounter difficulties in addressing real-world scientific problems, particularly in domains involving large-scale numerical data analysis, such as experimental high energy physics. This limitation is primarily due to BPE tokenization's inefficacy with numerical data. In this paper, we propose a task-agnostic architecture, BBT-Neutron, which employs a binary tokenization method to facilitate pretraining on a mixture of textual and large-scale numerical experimental data. We demonstrate the application of BBT-Neutron to Jet Origin Identification (JoI), a critical categorization challenge in high-energy physics that distinguishes jets originating from various quarks or gluons. Our results indicate that BBT-Neutron achieves comparable performance to state-of-the-art task-specific JoI models. Furthermore, we examine the scaling behavior of BBT-Neutron's performance with increasing data volume, suggesting the potential for BBT-Neutron to serve as a foundational model for particle physics data analysis, with possible extensions to a broad spectrum of scientific computing applications for Big Science experiments, industrial manufacturing and spacial computing. The project code is available at https://github.com/supersymmetry-technologies/bbt-neutron.

Recent advances in language model (LM) agents and function calling have enabled autonomous, feedback-driven systems to solve problems across various digital domains. To better understand the unique limitations of LM agents, we introduce RefactorBench, a benchmark consisting of 100 large handcrafted multi-file refactoring tasks in popular open-source repositories. Solving tasks within RefactorBench requires thorough exploration of dependencies across multiple files and strong adherence to relevant instructions. Every task is defined by 3 natural language instructions of varying specificity and is mutually exclusive, allowing for the creation of longer combined tasks on the same repository. Baselines on RefactorBench reveal that current LM agents struggle with simple compositional tasks, solving only 22% of tasks with base instructions, in contrast to a human developer with short time constraints solving 87%. Through trajectory analysis, we identify various unique failure modes of LM agents, and further explore the failure mode of tracking past actions. By adapting a baseline agent to condition on representations of state, we achieve a 43.9% improvement in solving RefactorBench tasks. We further extend our state-aware approach to encompass entire digital environments and outline potential directions for future research. RefactorBench aims to support the study of LM agents by providing a set of real-world, multi-hop tasks within the realm of code.

Large language models are quickly becoming the foundation for intelligent agents that are capable of using tools. However, training such agents is challenging because it requires human creation and annotation of a diverse set of tasks, tools, and evaluation criteria. In this paper, we propose the Self-Challenging framework for training an agent on high-quality tasks that are generated by itself. The agent first plays the role of challenger and generates a task after interacting with the given tools. The tasks take the form of a novel general class of problems termed Code-as-Task, which are defined by an instruction, a verification function and solution and failure cases which serve as tests, allowing to filter only for high-quality tasks. The agent then takes an executor role and trains on those tasks with reinforcement learning using the evaluation feedback as a reward. Evaluation on two existing multi-turn tool-use agent benchmarks, M3ToolEval and TauBench, shows the Self-Challenging framework achieves over a two-fold improvement in Llama-3.1-8B-Instruct, despite using only self-generated training data.

Large Language Models (LLMs) achieve superior performance through training-time scaling, and test-time scaling further enhances their capabilities by conducting effective reasoning during inference. However, as the scale of reasoning increases, existing test-time scaling methods suffer from accumulated historical information, which not only wastes computational resources but also interferes with effective reasoning. To address this issue, we observe that complex reasoning progress is often achieved by solving a sequence of independent subquestions, each being self-contained and verifiable. These subquestions are essentially atomic questions, relying primarily on their current state rather than accumulated history, similar to the memoryless transitions in a Markov process. Based on this observation, we propose Atom of Thoughts (AoT), where each state transition in the reasoning process consists of decomposing the current question into a dependency-based directed acyclic graph and contracting its subquestions, forming a new atomic question state. This iterative decomposition-contraction process continues until reaching directly solvable atomic questions, naturally realizing Markov transitions between question states. Furthermore, these atomic questions can be seamlessly integrated into existing test-time scaling methods, enabling AoT to serve as a plug-in enhancement for improving reasoning capabilities. Experiments across six benchmarks demonstrate the effectiveness of AoT both as a standalone framework and a plug-in enhancement. Notably, on HotpotQA, when applied to gpt-4o-mini, AoT achieves an 80.6% F1 score, surpassing o3-mini by 3.4% and DeepSeek-R1 by 10.6%. The code will be available at https://github.com/qixucen/atom.

With the deep integration of artificial intelligence and interactive technology, Graphical User Interface (GUI) Agent, as the carrier connecting goal-oriented natural language and real-world devices, has received widespread attention from the community. Contemporary benchmarks aim to evaluate the comprehensive capabilities of GUI agents in GUI operation tasks, generally determining task completion solely by inspecting the final screen state. However, GUI operation tasks consist of multiple chained steps while not all critical information is presented in the final few pages. Although a few research has begun to incorporate intermediate steps into evaluation, accurately and automatically capturing this process information still remains an open challenge. To address this weakness, we introduce ProBench, a comprehensive mobile benchmark with over 200 challenging GUI tasks covering widely-used scenarios. Remaining the traditional State-related Task evaluation, we extend our dataset to include Process-related Task and design a specialized evaluation method. A newly introduced Process Provider automatically supplies accurate process information, enabling presice assessment of agent's performance. Our evaluation of advanced GUI agents reveals significant limitations for real-world GUI scenarios. These shortcomings are prevalent across diverse models, including both large-scale generalist models and smaller, GUI-specific models. A detailed error analysis further exposes several universal problems, outlining concrete directions for future improvements.

General-purpose technologies reshape economies less by improving individual tools than by enabling new ways to organize production and coordination. We believe AI agents are approaching a similar inflection point: as foundation models make broad task execution and tool use increasingly accessible, the binding constraint shifts from raw capability to how work is delegated, verified, and rewarded at scale. We introduce EpochX, a credits-native marketplace infrastructure for human-agent production networks. EpochX treats humans and agents as peer participants who can post tasks or claim them. Claimed tasks can be decomposed into subtasks and executed through an explicit delivery workflow with verification and acceptance. Crucially, EpochX is designed so that each completed transaction can produce reusable ecosystem assets, including skills, workflows, execution traces, and distilled experience. These assets are stored with explicit dependency structure, enabling retrieval, composition, and cumulative improvement over time. EpochX also introduces a native credit mechanism to make participation economically viable under real compute costs. Credits lock task bounties, budget delegation, settle rewards upon acceptance, and compensate creators when verified assets are reused. By formalizing the end-to-end transaction model together with its asset and incentive layers, EpochX reframes agentic AI as an organizational design problem: building infrastructures where verifiable work leaves persistent, reusable artifacts, and where value flows support durable human-agent collaboration.

The recent advancement of autonomous agents powered by Large Language Models (LLMs) has demonstrated significant potential for automating tasks on mobile devices through graphical user interfaces (GUIs). Despite initial progress, these agents still face challenges when handling complex real-world tasks. These challenges arise from a lack of knowledge about real-life mobile applications in LLM-based agents, which may lead to ineffective task planning and even cause hallucinations. To address these challenges, we propose a novel LLM-based agent framework called MapAgent that leverages memory constructed from historical trajectories to augment current task planning. Specifically, we first propose a trajectory-based memory mechanism that transforms task execution trajectories into a reusable and structured page-memory database. Each page within a trajectory is extracted as a compact yet comprehensive snapshot, capturing both its UI layout and functional context. Secondly, we introduce a coarse-to-fine task planning approach that retrieves relevant pages from the memory database based on similarity and injects them into the LLM planner to compensate for potential deficiencies in understanding real-world app scenarios, thereby achieving more informed and context-aware task planning. Finally, planned tasks are transformed into executable actions through a task executor supported by a dual-LLM architecture, ensuring effective tracking of task progress. Experimental results in real-world scenarios demonstrate that MapAgent achieves superior performance to existing methods. The code will be open-sourced to support further research.

Autonomous agents that execute human tasks by controlling computers can enhance human productivity and application accessibility. Yet, progress in this field will be driven by realistic and reproducible benchmarks. We present AndroidWorld, a fully functioning Android environment that provides reward signals for 116 programmatic task workflows across 20 real world Android applications. Unlike existing interactive environments, which provide a static test set, AndroidWorld dynamically constructs tasks that are parameterized and expressed in natural language in unlimited ways, thus enabling testing on a much larger and realistic suite of tasks. Reward signals are derived from the computer's system state, making them durable across task variations and extensible across different apps. To demonstrate AndroidWorld's benefits and mode of operation, we introduce a new computer control agent, M3A. M3A can complete 30.6% of the AndroidWorld's tasks, leaving ample room for future work. Furthermore, we adapt a popular desktop web agent to work on Android, which we find to be less effective on mobile, suggesting future research is needed to achieve universal, cross-domain agents. Finally, we conduct a robustness analysis by testing M3A against a range of task variations on a representative subset of tasks, demonstrating that variations in task parameters can significantly alter the complexity of a task and therefore an agent's performance, highlighting the importance of testing agents under diverse conditions. AndroidWorld and the experiments in this paper are available at https://github.com/google-research/android_world.

TaskGen is an open-sourced agentic framework which uses an Agent to solve an arbitrary task by breaking them down into subtasks. Each subtask is mapped to an Equipped Function or another Agent to execute. In order to reduce verbosity (and hence token usage), TaskGen uses StrictJSON that ensures JSON output from the Large Language Model (LLM), along with additional features such as type checking and iterative error correction. Key to the philosophy of TaskGen is the management of information/memory on a need-to-know basis. We empirically evaluate TaskGen on various environments such as 40x40 dynamic maze navigation with changing obstacle locations (100% solve rate), TextWorld escape room solving with dense rewards and detailed goals (96% solve rate), web browsing (69% of actions successful), solving the MATH dataset (71% solve rate over 100 Level-5 problems), Retrieval Augmented Generation on NaturalQuestions dataset (F1 score of 47.03%)

Graphical User Interface (GUI) automation holds significant promise for enhancing human productivity by assisting with computer tasks. Existing task formulations primarily focus on simple tasks that can be specified by a single, language-only instruction, such as "Insert a new slide." In this work, we introduce VideoGUI, a novel multi-modal benchmark designed to evaluate GUI assistants on visual-centric GUI tasks. Sourced from high-quality web instructional videos, our benchmark focuses on tasks involving professional and novel software (e.g., Adobe Photoshop or Stable Diffusion WebUI) and complex activities (e.g., video editing). VideoGUI evaluates GUI assistants through a hierarchical process, allowing for identification of the specific levels at which they may fail: (i) high-level planning: reconstruct procedural subtasks from visual conditions without language descriptions; (ii) middle-level planning: generate sequences of precise action narrations based on visual state (i.e., screenshot) and goals; (iii) atomic action execution: perform specific actions such as accurately clicking designated elements. For each level, we design evaluation metrics across individual dimensions to provide clear signals, such as individual performance in clicking, dragging, typing, and scrolling for atomic action execution. Our evaluation on VideoGUI reveals that even the SoTA large multimodal model GPT4o performs poorly on visual-centric GUI tasks, especially for high-level planning.

In today's rapidly expanding data landscape, knowledge extraction from unstructured text is vital for real-time analytics, temporal inference, and dynamic memory frameworks. However, traditional static knowledge graph (KG) construction often overlooks the dynamic and time-sensitive nature of real-world data, limiting adaptability to continuous changes. Moreover, recent zero- or few-shot approaches that avoid domain-specific fine-tuning or reliance on prebuilt ontologies often suffer from instability across multiple runs, as well as incomplete coverage of key facts. To address these challenges, we introduce ATOM (AdapTive and OptiMized), a few-shot and scalable approach that builds and continuously updates Temporal Knowledge Graphs (TKGs) from unstructured texts. ATOM splits input documents into minimal, self-contained "atomic" facts, improving extraction exhaustivity and stability. Then, it constructs atomic TKGs from these facts while employing a dual-time modeling that distinguishes when information is observed from when it is valid. The resulting atomic TKGs are subsequently merged in parallel. Empirical evaluations demonstrate that ATOM achieves ~18% higher exhaustivity, ~17% better stability, and over 90% latency reduction compared to baseline methods, demonstrating a strong scalability potential for dynamic TKG construction.

One long-term goal of machine learning research is to produce methods that are applicable to reasoning and natural language, in particular building an intelligent dialogue agent. To measure progress towards that goal, we argue for the usefulness of a set of proxy tasks that evaluate reading comprehension via question answering. Our tasks measure understanding in several ways: whether a system is able to answer questions via chaining facts, simple induction, deduction and many more. The tasks are designed to be prerequisites for any system that aims to be capable of conversing with a human. We believe many existing learning systems can currently not solve them, and hence our aim is to classify these tasks into skill sets, so that researchers can identify (and then rectify) the failings of their systems. We also extend and improve the recently introduced Memory Networks model, and show it is able to solve some, but not all, of the tasks.

Memory is a fundamental component of AI systems, underpinning large language models (LLMs) based agents. While prior surveys have focused on memory applications with LLMs, they often overlook the atomic operations that underlie memory dynamics. In this survey, we first categorize memory representations into parametric, contextual structured, and contextual unstructured and then introduce six fundamental memory operations: Consolidation, Updating, Indexing, Forgetting, Retrieval, and Compression. We systematically map these operations to the most relevant research topics across long-term, long-context, parametric modification, and multi-source memory. By reframing memory systems through the lens of atomic operations and representation types, this survey provides a structured and dynamic perspective on research, benchmark datasets, and tools related to memory in AI, clarifying the functional interplay in LLMs based agents while outlining promising directions for future researchThe paper list, datasets, methods and tools are available at \href{https://github.com/Elvin-Yiming-Du/Survey_Memory_in_AI{https://github.com/Elvin-Yiming-Du/Survey\_Memory\_in\_AI}.}.

Chemical reasoning usually involves complex, multi-step processes that demand precise calculations, where even minor errors can lead to cascading failures. Furthermore, large language models (LLMs) encounter difficulties handling domain-specific formulas, executing reasoning steps accurately, and integrating code effectively when tackling chemical reasoning tasks. To address these challenges, we present ChemAgent, a novel framework designed to improve the performance of LLMs through a dynamic, self-updating library. This library is developed by decomposing chemical tasks into sub-tasks and compiling these sub-tasks into a structured collection that can be referenced for future queries. Then, when presented with a new problem, ChemAgent retrieves and refines pertinent information from the library, which we call memory, facilitating effective task decomposition and the generation of solutions. Our method designs three types of memory and a library-enhanced reasoning component, enabling LLMs to improve over time through experience. Experimental results on four chemical reasoning datasets from SciBench demonstrate that ChemAgent achieves performance gains of up to 46% (GPT-4), significantly outperforming existing methods. Our findings suggest substantial potential for future applications, including tasks such as drug discovery and materials science. Our code can be found at https://github.com/gersteinlab/chemagent

Leveraging large language models (LLMs), autonomous agents have significantly improved, gaining the ability to handle a variety of tasks. In open-ended settings, optimizing collaboration for efficiency and effectiveness demands flexible adjustments. Despite this, current research mainly emphasizes fixed, task-oriented workflows and overlooks agent-centric organizational structures. Drawing inspiration from human organizational behavior, we introduce a self-organizing agent system (S-Agents) with a "tree of agents" structure for dynamic workflow, an "hourglass agent architecture" for balancing information priorities, and a "non-obstructive collaboration" method to allow asynchronous task execution among agents. This structure can autonomously coordinate a group of agents, efficiently addressing the challenges of an open and dynamic environment without human intervention. Our experiments demonstrate that S-Agents proficiently execute collaborative building tasks and resource collection in the Minecraft environment, validating their effectiveness.

Task allocation is a key combinatorial optimization problem, crucial for modern applications such as multi-robot cooperation and resource scheduling. Decision makers must allocate entities to tasks reasonably across different scenarios. However, traditional methods assume static attributes and numbers of tasks and entities, often relying on dynamic programming and heuristic algorithms for solutions. In reality, task allocation resembles Markov decision processes, with dynamically changing task and entity attributes. Thus, algorithms must dynamically allocate tasks based on their states. To address this issue, we propose a two-stage task allocation algorithm based on similarity, utilizing reinforcement learning to learn allocation strategies. The proposed pre-assign strategy allows entities to preselect appropriate tasks, effectively avoiding local optima and thereby better finding the optimal allocation. We also introduce an attention mechanism and a hyperparameter network structure to adapt to the changing number and attributes of entities and tasks, enabling our network structure to generalize to new tasks. Experimental results across multiple environments demonstrate that our algorithm effectively addresses the challenges of dynamic task allocation in practical applications. Compared to heuristic algorithms like genetic algorithms, our reinforcement learning approach better solves dynamic allocation problems and achieves zero-shot generalization to new tasks with good performance. The code is available at https://github.com/yk7333/TaskAllocation.

Atomic layer deposition (ALD) is widely studied for numerous applications and is commercially employed in the semiconductor industry, where planar substrates are the norm. However, the inherent ALD feature of coating virtually any surface geometry with atomistic thickness control is equally attractive for coating particulate materials (supports). In this review, we provide a comprehensive overview of the developments in this decades-old field of ALD on particulate materials, drawing on a bottom-up and quantitative analysis of 799 articles from this field. The obtained dataset is the basis for abstractions regarding reactor types (specifically for particles), coating materials, reactants, supports and processing conditions. Furthermore, the dataset enables direct access to specific processing conditions (for a given material, surface functionality, application etc.) and increases accessibility of the respective literature. We also review fundamental concepts of ALD on particles, and discuss the most common applications, i.e., catalysis (thermo-, electro-, photo-), batteries, luminescent phosphors and healthcare. Finally, we identify historical trends, and provide an outlook on prospective developments.

AI agents have the potential to aid users on a variety of consequential tasks, including conducting scientific research. To spur the development of useful agents, we need benchmarks that are challenging, but more crucially, directly correspond to real-world tasks of interest. This paper introduces such a benchmark, designed to measure the accuracy of AI agents in tackling a crucial yet surprisingly challenging aspect of scientific research: computational reproducibility. This task, fundamental to the scientific process, involves reproducing the results of a study using the provided code and data. We introduce CORE-Bench (Computational Reproducibility Agent Benchmark), a benchmark consisting of 270 tasks based on 90 scientific papers across three disciplines (computer science, social science, and medicine). Tasks in CORE-Bench consist of three difficulty levels and include both language-only and vision-language tasks. We provide an evaluation system to measure the accuracy of agents in a fast and parallelizable way, saving days of evaluation time for each run compared to a sequential implementation. We evaluated two baseline agents: the general-purpose AutoGPT and a task-specific agent called CORE-Agent. We tested both variants using two underlying language models: GPT-4o and GPT-4o-mini. The best agent achieved an accuracy of 21% on the hardest task, showing the vast scope for improvement in automating routine scientific tasks. Having agents that can reproduce existing work is a necessary step towards building agents that can conduct novel research and could verify and improve the performance of other research agents. We hope that CORE-Bench can improve the state of reproducibility and spur the development of future research agents.

Quantum communication can enhance internet technology by enabling novel applications that are provably impossible classically. The successful execution of such applications relies on the generation of quantum entanglement between different users of the network which meets stringent performance requirements. Alongside traditional metrics such as throughput and jitter, one must ensure the generated entanglement is of sufficiently high quality. Meeting such performance requirements demands a careful orchestration of many devices in the network, giving rise to a fundamentally new scheduling problem. Furthermore, technological limitations of near-term quantum devices impose significant constraints on scheduling methods hoping to meet performance requirements. In this work, we propose the first end-to-end design of a centralized quantum network with multiple users that orchestrates the delivery of entanglement which meets quality-of-service (QoS) requirements of applications. We achieve this by using a centrally constructed schedule that manages usage of devices and ensures the coordinated execution of different quantum operations throughout the network. We use periodic task scheduling and resource-constrained project scheduling techniques, including a novel heuristic, to construct the schedules. Our simulations of four small networks using hardware-validated network parameters, and of a real-world fiber topology using futuristic parameters, illustrate trade-offs between traditional and quantum performance metrics.

Modern web interfaces are unnecessarily complex to use as they overwhelm users with excessive text and visuals unrelated to their current goals. This problem particularly impacts screen reader users (SRUs), who navigate content sequentially and may spend minutes traversing irrelevant elements before reaching desired information compared to vision users (VUs) who visually skim in seconds. We present Task Mode, a system that dynamically filters web content based on user-specified goals using large language models to identify and prioritize relevant elements while minimizing distractions. Our approach preserves page structure while offering multiple viewing modes tailored to different access needs. Our user study with 12 participants (6 VUs, 6 SRUs) demonstrates that our approach reduced task completion time for SRUs while maintaining performance for VUs, decreasing the completion time gap between groups from 2x to 1.2x. 11 of 12 participants wanted to use Task Mode in the future, reporting that Task Mode supported completing tasks with less effort and fewer distractions. This work demonstrates how designing new interactions simultaneously for visual and non-visual access can reduce rather than reinforce accessibility disparities in future technology created by human-computer interaction researchers and practitioners.

AI agents powered by large language models exhibit strong reasoning and problem-solving capabilities, enabling them to assist scientific research tasks such as formula derivation and code generation. However, whether these agents can reliably perform end-to-end reproduction from real scientific papers remains an open question. We introduce PRBench, a benchmark of 30 expert-curated tasks spanning 11 subfields of physics. Each task requires an agent to comprehend the methodology of a published paper, implement the corresponding algorithms from scratch, and produce quantitative results matching the original publication. Agents are provided only with the task instruction and paper content, and operate in a sandboxed execution environment. All tasks are contributed by domain experts from over 20 research groups at the School of Physics, Peking University, each grounded in a real published paper and validated through end-to-end reproduction with verified ground-truth results and detailed scoring rubrics. Using an agentified assessment pipeline, we evaluate a set of coding agents on PRBench and analyze their capabilities across key dimensions of scientific reasoning and execution. The best-performing agent, OpenAI Codex powered by GPT-5.3-Codex, achieves a mean overall score of 34%. All agents exhibit a zero end-to-end callback success rate, with particularly poor performance in data accuracy and code correctness. We further identify systematic failure modes, including errors in formula implementation, inability to debug numerical simulations, and fabrication of output data. Overall, PRBench provides a rigorous benchmark for evaluating progress toward autonomous scientific research.

Many works have recently proposed the use of Large Language Model (LLM) based agents for performing `repository level' tasks, loosely defined as a set of tasks whose scopes are greater than a single file. This has led to speculation that the orchestration of these repository-level tasks could lead to software engineering agents capable of performing almost independently of human intervention. However, of the suite of tasks that would need to be performed by this autonomous software engineering agent, we argue that one important task is missing, which is to fulfil project level dependency by installing other repositories. To investigate the feasibility of this repository level installation task, we introduce a benchmark of of repository installation tasks curated from 40 open source Python projects, which includes a ground truth installation process for each target repository. Further, we propose Installamatic, an agent which aims to perform and verify the installation of a given repository by searching for relevant instructions from documentation in the repository. Empirical experiments reveal that that 55% of the studied repositories can be automatically installed by our agent at least one out of ten times. Through further analysis, we identify the common causes for our agent's inability to install a repository, discuss the challenges faced in the design and implementation of such an agent and consider the implications that such an agent could have for developers.

Large language models are transitioning from generalpurpose knowledge engines to realworld problem solvers, yet optimizing them for deep search tasks remains challenging. The central bottleneck lies in the extreme sparsity of highquality search trajectories and reward signals, arising from the difficulty of scalable longhorizon task construction and the high cost of interactionheavy rollouts involving external tool calls. To address these challenges, we propose REDSearcher, a unified framework that codesigns complex task synthesis, midtraining, and posttraining for scalable searchagent optimization. Specifically, REDSearcher introduces the following improvements: (1) We frame task synthesis as a dualconstrained optimization, where task difficulty is precisely governed by graph topology and evidence dispersion, allowing scalable generation of complex, highquality tasks. (2) We introduce toolaugmented queries to encourage proactive tool use rather than passive recall.(3) During midtraining, we strengthen core atomic capabilities knowledge, planning, and function calling substantially reducing the cost of collecting highquality trajectories for downstream training. (4) We build a local simulated environment that enables rapid, lowcost algorithmic iteration for reinforcement learning experiments. Across both textonly and multimodal searchagent benchmarks, our approach achieves stateoftheart performance. To facilitate future research on longhorizon search agents, we will release 10K highquality complex text search trajectories, 5K multimodal trajectories and 1K text RL query set, and together with code and model checkpoints.

Recent advances in AI-assisted programming have empowered agents to execute complex workflows via command-line interfaces, however, existing benchmarks are limited by short task horizons, data contamination from GitHub scraping, and a lack of fine-grained evaluation metrics, fail to rigorously evaluate the long-horizon planning and execution capabilities essential for realistic software engineering. To address these gaps, we introduce LongCLI-Bench, a comprehensive benchmark designed to evaluate agentic capabilities across long-horizon, realistic tasks. We curated 20 high-quality, long-horizon tasks from over 1,000 computer science assignments and real-world workflows, covering four engineering categories: from scratch, feature addition, bug fixing, and refactoring. We propose a dual-set testing protocol for LongCLI-Bench, which measures requirement fulfillment (fail-to-pass) and regression avoidance (pass-to-pass), and incorporates step-level scoring to pinpoint execution failures. Extensive experiments reveal that even state-of-the-art agents achieve pass rates below 20% in LongCLI-Bench. Step-level analysis further indicates that the majority of tasks stall at less than 30% completion, highlighting that critical failures often occur in the early stages. Although self-correction offers marginal gains, human-agent collaboration through plan injection and interactive guidance yields significantly higher improvements. These results highlight that future research must emphasize the development of synergistic human-agent workflows alongside advances in agents' planning and execution capabilities to overcome key challenges in long-horizon task performance.

As LLMs shift toward autonomous agents, Deep Research has emerged as a pivotal metric. However, existing academic benchmarks like BrowseComp often fail to meet real-world demands for open-ended research, which requires robust skills in intent recognition, long-horizon decision-making, and cross-source verification. To address this, we introduce Step-DeepResearch, a cost-effective, end-to-end agent. We propose a Data Synthesis Strategy Based on Atomic Capabilities to reinforce planning and report writing, combined with a progressive training path from agentic mid-training to SFT and RL. Enhanced by a Checklist-style Judger, this approach significantly improves robustness. Furthermore, to bridge the evaluation gap in the Chinese domain, we establish ADR-Bench for realistic deep research scenarios. Experimental results show that Step-DeepResearch (32B) scores 61.4% on Scale AI Research Rubrics. On ADR-Bench, it significantly outperforms comparable models and rivals SOTA closed-source models like OpenAI and Gemini DeepResearch. These findings prove that refined training enables medium-sized models to achieve expert-level capabilities at industry-leading cost-efficiency.

MCP standardizes how LLMs interact with external systems, forming the foundation for general agents. However, existing MCP benchmarks remain narrow in scope: they focus on read-heavy tasks or tasks with limited interaction depth, and fail to capture the complexity and realism of real-world workflows. To address this gap, we propose MCPMark, a benchmark designed to evaluate MCP use in a more realistic and comprehensive manner. It consists of 127 high-quality tasks collaboratively created by domain experts and AI agents. Each task begins with a curated initial state and includes a programmatic script for automatic verification. These tasks demand richer and more diverse interactions with the environment, involving a broad range of create, read, update, and delete (CRUD) operations. We conduct a comprehensive evaluation of cutting-edge LLMs using a minimal agent framework that operates in a tool-calling loop. Empirical results show that the best-performing model, gpt-5-medium, reaches only 52.56\% pass@1 and 33.86\% pass^4, while other widely regarded strong models, including claude-sonnet-4 and o3, fall below 30\% pass@1 and 15\% pass^4. On average, LLMs require 16.2 execution turns and 17.4 tool calls per task, significantly surpassing those in previous MCP benchmarks and highlighting the stress-testing nature of MCPMark.

The MineRL competition is designed for the development of reinforcement learning and imitation learning algorithms that can efficiently leverage human demonstrations to drastically reduce the number of environment interactions needed to solve the complex ObtainDiamond task with sparse rewards. To address the challenge, in this paper, we present SEIHAI, a Sample-efficient Hierarchical AI, that fully takes advantage of the human demonstrations and the task structure. Specifically, we split the task into several sequentially dependent subtasks, and train a suitable agent for each subtask using reinforcement learning and imitation learning. We further design a scheduler to select different agents for different subtasks automatically. SEIHAI takes the first place in the preliminary and final of the NeurIPS-2020 MineRL competition.

Standing as one of the most significant barriers to reaching quantum advantage, state-preparation fidelities on noisy intermediate-scale quantum processors suffer from quantum-gate errors, which accumulate over time. A potential remedy is pulse-based state preparation. We numerically investigate the minimal evolution times (METs) attainable by optimizing (microwave and exchange) pulses on silicon hardware. We investigate two state preparation tasks. First, we consider the preparation of molecular ground states and find the METs for H_2, HeH^+, and LiH to be 2.4 ns, 4.4 ns, and 27.2 ns, respectively. Second, we consider transitions between arbitrary states and find the METs for transitions between arbitrary four-qubit states to be below 50 ns. For comparison, connecting arbitrary two-qubit states via one- and two-qubit gates on the same silicon processor requires approximately 200 ns. This comparison indicates that pulse-based state preparation is likely to utilize the coherence times of silicon hardware more efficiently than gate-based state preparation. Finally, we quantify the effect of silicon device parameters on the MET. We show that increasing the maximal exchange amplitude from 10 MHz to 1 GHz accelerates the METs, e.g., for H_2 from 84.3 ns to 2.4 ns. This demonstrates the importance of fast exchange. We also show that increasing the maximal amplitude of the microwave drive from 884 kHz to 56.6 MHz shortens state transitions, e.g., for two-qubit states from 1000 ns to 25 ns. Our results bound both the state-preparation times for general quantum algorithms and the execution times of variational quantum algorithms with silicon spin qubits.

LLM test-time compute (or LLM inference) via search has emerged as a promising research area with rapid developments. However, current frameworks often adopt distinct perspectives on three key aspects (task definition, LLM profiling, and search procedures), making direct comparisons challenging. Moreover, the search algorithms employed often diverge from standard implementations, and their specific characteristics are not thoroughly specified. In this survey, we provide a comprehensive technical review that unifies task definitions and provides modular definitions of LLM profiling and search procedures. The definitions enable precise comparisons of various LLM inference frameworks while highlighting their departures from conventional search algorithms. We also discuss the applicability, performance, and efficiency of these methods. For further details and ongoing updates, please refer to our GitHub repository: https://github.com/xinzhel/LLM-Agent-Survey/blob/main/search.md

For robotic manipulation, existing robotics datasets and simulation benchmarks predominantly cater to robot-arm platforms. However, for humanoid robots equipped with dual arms and dexterous hands, simulation tasks and high-quality demonstrations are notably lacking. Bimanual dexterous manipulation is inherently more complex, as it requires coordinated arm movements and hand operations, making autonomous data collection challenging. This paper presents HumanoidGen, an automated task creation and demonstration collection framework that leverages atomic dexterous operations and LLM reasoning to generate relational constraints. Specifically, we provide spatial annotations for both assets and dexterous hands based on the atomic operations, and perform an LLM planner to generate a chain of actionable spatial constraints for arm movements based on object affordances and scenes. To further improve planning ability, we employ a variant of Monte Carlo tree search to enhance LLM reasoning for long-horizon tasks and insufficient annotation. In experiments, we create a novel benchmark with augmented scenarios to evaluate the quality of the collected data. The results show that the performance of the 2D and 3D diffusion policies can scale with the generated dataset. Project page is https://openhumanoidgen.github.io.

With the development of LLMs as agents, there is a growing interest in connecting multiple agents into multi-agent systems to solve tasks concurrently, focusing on their role in task assignment and coordination. This paper explores how LLMs can effectively allocate computational tasks among multiple agents, considering factors such as cost, efficiency, and performance. In this work, we address key questions, including the effectiveness of LLMs as orchestrators and planners, comparing their effectiveness in task assignment and coordination. Our experiments demonstrate that LLMs can achieve high validity and accuracy in resource allocation tasks. We find that the planner method outperforms the orchestrator method in handling concurrent actions, resulting in improved efficiency and better utilization of agents. Additionally, we show that providing explicit information about worker capabilities enhances the allocation strategies of planners, particularly when dealing with suboptimal workers.

Generative tasks about molecules, including but not limited to molecule generation, are crucial for drug discovery and material design, and have consistently attracted significant attention. In recent years, diffusion models have emerged as an impressive class of deep generative models, sparking extensive research and leading to numerous studies on their application to molecular generative tasks. Despite the proliferation of related work, there remains a notable lack of up-to-date and systematic surveys in this area. Particularly, due to the diversity of diffusion model formulations, molecular data modalities, and generative task types, the research landscape is challenging to navigate, hindering understanding and limiting the area's growth. To address this, this paper conducts a comprehensive survey of diffusion model-based molecular generative methods. We systematically review the research from the perspectives of methodological formulations, data modalities, and task types, offering a novel taxonomy. This survey aims to facilitate understanding and further flourishing development in this area. The relevant papers are summarized at: https://github.com/AzureLeon1/awesome-molecular-diffusion-models.

We report on the trapping of single rubidium atoms in large arrays of optical tweezers comprising up to 2088 sites in a cryogenic environment at 6 K. Our approach relies on the use of microscope objectives that are in-vacuum but at room temperature, in combination with windowless thermal shields into which the objectives are protruding to ensure a cryogenic environment for the trapped atoms. To achieve enough optical power for efficient trapping, we combine two lasers at slightly different wavelengths. We discuss the performance and limitations of our design. Finally, we demonstrate atom-by-atom rearrangement of an 828-atom target array using moving optical tweezers controlled by a field-programmable gate array.