Molecule generation using generative AI is vital for drug discovery, yet class-specific datasets often contain fewer than 100 training examples. While fragment-based models handle limited data better than atom-based approaches, existing heuristic fragmentation limits diversity and misses key fragments. Additionally, model tuning typically requires slow, indirect collaboration between medicinal chemists and AI engineers. We introduce FRAGMENTA, an end-to-end framework for drug lead optimization comprising: 1) a novel generative model that reframes fragmentation as a "vocabulary selection" problem, using dynamic Q-learning to jointly optimize fragmentation and generation; and 2) an agentic AI system that refines objectives via conversational feedback from domain experts. This system removes the AI engineer from the loop and progressively learns domain knowledge to eventually automate tuning. In real-world cancer drug discovery experiments, FRAGMENTA's Human-Agent configuration identified nearly twice as many high-scoring molecules as baselines. Furthermore, the fully autonomous Agent-Agent system outperformed traditional Human-Human tuning, demonstrating the efficacy of agentic tuning in capturing expert intent.

Monocular Simultaneous Localization and Mapping (SLAM) aims to estimate a robot's pose while simultaneously reconstructing an unknown 3D scene using a single camera. While existing monocular SLAM systems generate detailed 3D geometry through dense scene representations, they are computationally expensive due to the need for iterative optimization. To address this challenge, MASt3R-SLAM utilizes learned 3D reconstruction priors, enabling more efficient and accurate estimation of both 3D structures and camera poses. However, MASt3R-SLAM is limited to single-agent operation. In this paper, we extend MASt3R-SLAM to introduce the first multi-agent monocular dense SLAM system. Each agent performs local SLAM using a 3D reconstruction prior, and their individual maps are fused into a globally consistent map through a loop-closure-based map fusion mechanism. Our approach improves computational efficiency compared to state-of-the-art methods, while maintaining similar mapping accuracy when evaluated on real-world datasets.

Quantum computing promises transformative advances, but remains constrained by recurring misconceptions and methodological pitfalls. This paper demonstrates a fundamental incompatibility between traditional agent-based modeling (ABM) implementations and quantum optimization frameworks like Quadratic Unconstrained Binary Optimization (QUBO). Using Schelling's segregation model as a case study, we show that the standard practice of directly translating ABM state observations into QUBO formulations not only fails to deliver quantum advantage, but actively undermines computational efficiency. The fundamental issue is architectural. Traditional ABM implementations entail observing the state of the system at each iteration, systematically destroying the quantum superposition required for computational advantage. Through analysis of Schelling's segregation dynamics on lollipop networks, we demonstrate how abandoning the QUBO reduction paradigm and instead reconceptualizing the research question, from "simulate agent dynamics iteratively until convergence" to "compute minimum of agent moves required for global satisfaction", enables a faster classical solution. This structural reconceptualization yields an algorithm that exploits network symmetries obscured in traditional ABM simulations and QUBO formulations. It establishes a new lower bound which quantum approaches must outperform to achieve advantage. Our work emphasizes that progress in quantum agent-based modeling does not require forcing classical ABM implementations into quantum frameworks. Instead, it should focus on clarifying when quantum advantage is structurally possible, developing best-in-class classical baselines through problem analysis, and fundamentally reformulating research questions rather than preserving classical iterative state change observation paradigms.

Despite their remarkable capabilities, Large Language Models (LLMs) struggle to effectively leverage historical interaction information in dynamic and complex environments. Memory systems enable LLMs to move beyond stateless interactions by introducing persistent information storage, retrieval, and utilization mechanisms. However, existing memory systems often introduce substantial time and computational overhead. To this end, we introduce a new memory system called LightMem, which strikes a balance between the performance and efficiency of memory systems. Inspired by the Atkinson-Shiffrin model of human memory, LightMem organizes memory into three complementary stages. First, cognition-inspired sensory memory rapidly filters irrelevant information through lightweight compression and groups information according to their topics. Next, topic-aware short-term memory consolidates these topic-based groups, organizing and summarizing content for more structured access. Finally, long-term memory with sleep-time update employs an offline procedure that decouples consolidation from online inference. On LongMemEval and LoCoMo, using GPT and Qwen backbones, LightMem consistently surpasses strong baselines, improving QA accuracy by up to 7.7% / 29.3%, reducing total token usage by up to 38x / 20.9x and API calls by up to 30x / 55.5x, while purely online test-time costs are even lower, achieving up to 106x / 117x token reduction and 159x / 310x fewer API calls. The code is available at https://github.com/zjunlp/LightMem.

Multi-agent path finding (MAPF) involves planning efficient paths for multiple agents to move simultaneously while avoiding collisions. In typical warehouse environments, agents are often sparsely distributed along aisles; however, increasing the agent density can improve space efficiency. When the agent density is high, it becomes necessary to optimize the paths not only for goal-assigned agents but also for those obstructing them. This study proposes a novel MAPF framework for high-density environments (MAPF-HD). Several studies have explored MAPF in similar settings using integer linear programming (ILP). However, ILP-based methods require substantial computation time to optimize all agent paths simultaneously. Even in small grid-based environments with fewer than $100$ cells, these computations can take tens to hundreds of seconds. Such high computational costs render these methods impractical for large-scale applications such as automated warehouses and valet parking. To address these limitations, we introduce the phased null-agent swapping (PHANS) method. PHANS employs a heuristic approach to incrementally swap positions between agents and empty vertices. This method solves the MAPF-HD problem within a few seconds, even in large environments containing more than $700$ cells. The proposed method has the potential to improve efficiency in various real-world applications such as warehouse logistics, traffic management, and crowd control. The implementation is available at https://github.com/ToyotaCRDL/MAPF-in-High-Density-Envs.

Large language model (LLM) agents show promise in automating machine learning (ML) engineering. However, existing agents typically operate in isolation on a given research problem, without engaging with the broader research community, where human researchers often gain insights and contribute by sharing knowledge. To bridge this gap, we introduce MLE-Live, a live evaluation framework designed to assess an agent's ability to communicate with and leverage collective knowledge from a simulated Kaggle research community. Building on this framework, we propose CoMind, an multi-agent system designed to actively integrate external knowledge. CoMind employs an iterative parallel exploration mechanism, developing multiple solutions simultaneously to balance exploratory breadth with implementation depth. On 75 past Kaggle competitions within our MLE-Live framework, CoMind achieves a 36% medal rate, establishing a new state of the art. Critically, when deployed in eight live, ongoing competitions, CoMind outperforms 92.6% of human competitors on average, placing in the top 5% on three official leaderboards and the top 1% on one.

Autonomous agents for Graphical User Interfaces (GUIs) are revolutionizing human-computer interaction, yet their reliance on text-based instructions imposes limitations on accessibility and convenience, particularly in hands-free scenarios. To address this issue, we propose replacing text with speech as the instruction input modality for GUI agents, and introduce UITron-Speech, which is the first end-to-end GUI agent capable of directly processing speech instructions and on-device screenshots to predict user actions. To tackle the problem of data scarcity, we synthesize high-quality speech instruction datasets using a random-speaker text-to-speech model. Additionally, we design a mixed-modality training strategy to mitigate the inherent modality imbalance in pre-trained foundation models. Furthermore, we conduct a statistical analysis of the distribution of GUI grounding prediction errors and propose a training-free two-step grounding refinement method to alleviate minor localization deviations. Extensive experiments on multiple benchmarks demonstrate that UITron-Speech achieves robust performance and superior adaptability, underscoring the feasibility and potential of speech-driven GUI agents for more accessible and intelligent human-computer interaction. Our code and datasets are available at https://github.com/UITron-hub/UITron-Speech.

The rapid growth of the low-altitude economy has driven the widespread adoption of unmanned aerial vehicles (UAVs). This growing deployment presents new challenges for UAV trajectory planning in complex urban environments. However, existing studies often overlook key factors, such as urban airspace constraints and economic efficiency, which are essential in low-altitude economy contexts. Deep reinforcement learning (DRL) is regarded as a promising solution to these issues, while its practical adoption remains limited by low learning efficiency. To overcome this limitation, we propose a novel UAV trajectory planning framework that combines DRL with large language model (LLM) reasoning to enable safe, compliant, and economically viable path planning. Experimental results demonstrate that our method significantly outperforms existing baselines across multiple metrics, including data collection rate, collision avoidance, successful landing, regulatory compliance, and energy efficiency. These results validate the effectiveness of our approach in addressing UAV trajectory planning key challenges under constraints of the low-altitude economy networking.

Agent-Based Models (ABMs) are powerful tools for studying emergent properties in complex systems. In ABMs, agent behaviors are governed by local interactions and stochastic rules. However, these rules are, in general, non-differentiable, limiting the use of gradient-based methods for optimization, and thus integration with real-world data. We propose a novel framework to learn a differentiable surrogate of any ABM by observing its generated data. Our method combines diffusion models to capture behavioral stochasticity and graph neural networks to model agent interactions. Distinct from prior surrogate approaches, our method introduces a fundamental shift: rather than approximating system-level outputs, it models individual agent behavior directly, preserving the decentralized, bottom-up dynamics that define ABMs. We validate our approach on two ABMs (Schelling's segregation model and a Predator-Prey ecosystem) showing that it replicates individual-level patterns and accurately forecasts emergent dynamics beyond training. Our results demonstrate the potential of combining diffusion models and graph learning for data-driven ABM simulation.

Multimodal Large Language Models (LLMs) hold promise for biomedical reasoning, but current benchmarks fail to capture the complexity of real-world clinical workflows. Existing evaluations primarily assess unimodal, decontextualized question-answering, overlooking multi-agent decision-making environments such as Molecular Tumor Boards (MTBs). MTBs bring together diverse experts in oncology, where diagnostic and prognostic tasks require integrating heterogeneous data and evolving insights over time. Current benchmarks lack this longitudinal and multimodal complexity. We introduce MTBBench, an agentic benchmark simulating MTB-style decision-making through clinically challenging, multimodal, and longitudinal oncology questions. Ground truth annotations are validated by clinicians via a co-developed app, ensuring clinical relevance. We benchmark multiple open and closed-source LLMs and show that, even at scale, they lack reliability -- frequently hallucinating, struggling with reasoning from time-resolved data, and failing to reconcile conflicting evidence or different modalities. To address these limitations, MTBBench goes beyond benchmarking by providing an agentic framework with foundation model-based tools that enhance multi-modal and longitudinal reasoning, leading to task-level performance gains of up to 9.0% and 11.2%, respectively. Overall, MTBBench offers a challenging and realistic testbed for advancing multimodal LLM reasoning, reliability, and tool-use with a focus on MTB environments in precision oncology.