Molecular docking is a crucial aspect of drug discovery, as it predicts the binding interactions between small-molecule ligands and protein pockets. However, current multi-task learning models for docking often show inferior performance in ligand docking compared to protein pocket docking. This disparity arises largely due to the distinct structural complexities of ligands and proteins. To address this issue, we propose a novel game-theoretic framework that models the protein-ligand interaction as a two-player game called the Docking Game, with the ligand docking module acting as the ligand player and the protein pocket docking module as the protein player. To solve this game, we develop a novel Loop Self-Play (LoopPlay) algorithm, which alternately trains these players through a two-level loop. In the outer loop, the players exchange predicted poses, allowing each to incorporate the other's structural predictions, which fosters mutual adaptation over multiple iterations. In the inner loop, each player dynamically refines its predictions by incorporating its own predicted ligand or pocket poses back into its model. We theoretically show the convergence of LoopPlay, ensuring stable optimization. Extensive experiments conducted on public benchmark datasets demonstrate that LoopPlay achieves approximately a 10\% improvement in predicting accurate binding modes compared to previous state-of-the-art methods. This highlights its potential to enhance the accuracy of molecular docking in drug discovery.

Autonomous agents that operate computers via Graphical User Interfaces (GUIs) often struggle with efficiency and reliability on complex, long-horizon tasks. While augmenting these agents with planners can improve task decomposition, they remain constrained by the inherent limitations of performing all actions through GUI manipulation, leading to brittleness and inefficiency. In this work, we introduce a more robust and flexible paradigm: enabling agents to use coding as a enhanced action. We present CoAct-1, a novel multi-agent system that synergistically combines GUI-based control with direct programmatic execution. CoAct-1 features an Orchestrator that dynamically delegates subtasks to either a conventional GUI Operator or a specialized Programmer agent, which can write and execute Python or Bash scripts. This hybrid approach allows the agent to bypass inefficient GUI action sequences for tasks like file management and data processing, while still leveraging visual interaction when necessary. We evaluate our system on the challenging OSWorld benchmark, where CoAct-1 achieves a new state-of-the-art success rate of 60.76%, significantly outperforming prior methods. Furthermore, our approach dramatically improves efficiency, reducing the average number of steps required to complete a task to just 10.15, compared to 15 for leading GUI agents. Our results demonstrate that integrating coding as a core action provides a more powerful, efficient, and scalable path toward generalized computer automation.

The increasing complexity of software systems has led to a surge in cybersecurity vulnerabilities, necessitating efficient and scalable solutions for vulnerability assessment. However, the deployment of large pre-trained models in real-world scenarios is hindered by their substantial computational and storage demands. To address this challenge, we propose a novel resource-efficient framework that integrates knowledge distillation and particle swarm optimization to enable automated vulnerability assessment. Our framework employs a two-stage approach: First, particle swarm optimization is utilized to optimize the architecture of a compact student model, balancing computational efficiency and model capacity. Second, knowledge distillation is applied to transfer critical vulnerability assessment knowledge from a large teacher model to the optimized student model. This process significantly reduces the model size while maintaining high performance. Experimental results on an enhanced MegaVul dataset, comprising 12,071 CVSS (Common Vulnerability Scoring System) v3 annotated vulnerabilities, demonstrate the effectiveness of our approach. Our approach achieves a 99.4% reduction in model size while retaining 89.3% of the original model's accuracy. Furthermore, it outperforms state-of-the-art baselines by 1.7% in accuracy with 60% fewer parameters. The framework also reduces training time by 72.1% and architecture search time by 34.88% compared to traditional genetic algorithms.

--Autonomous trucking offers significant benefits, such as improved safety and reduced costs, but faces unique perception challenges due to trucks' large size and dynamic trailer movements. These challenges include extensive blind spots and occlusions that hinder the truck's perception and the capabilities of other road users. T o address these limitations, cooperative perception emerges as a promising solution. However, existing datasets predominantly feature light vehicle interactions or lack multi-agent configurations for heavy-duty vehicle scenarios. T o bridge this gap, we introduce TruckV2X, the first large-scale truck-centered cooperative perception dataset featuring multi-modal sensing (LiDAR and cameras) and multi-agent cooperation (tractors, trailers, CA Vs, and RSUs). We further investigate how trucks influence collaborative perception needs, establishing performance benchmarks while suggesting research priorities for heavy vehicle perception. The dataset provides a foundation for developing cooperative perception systems with enhanced occlusion handling capabilities, and accelerates the deployment of multi-agent autonomous trucking systems. UTONOMOUS trucking is expected to benefit the logistics industry in improved road safety, reduced operational costs, and solutions to driver shortages [1].

Continual memory augmentation lets computer-using agents (CUAs) learn from prior interactions, but unvetted memories can encode domain-inappropriate or unsafe heuristics--spurious rules that drift from user intent and safety constraints. We introduce VerificAgent, a scalable oversight framework that treats persistent memory as an explicit alignment surface. VerificAgent combines (1) an expert-curated seed of domain knowledge, (2) iterative, trajectory-based memory growth during training, and (3) a post-hoc human fact-checking pass to sanitize accumulated memories before deployment. Evaluated on OSWorld productivity tasks and additional adversarial stress tests, VerificAgent improves task reliability, reduces hallucination-induced failures, and preserves interpretable, auditable guidance--without additional model fine-tuning. By letting humans correct high-impact errors once, the verified memory acts as a frozen safety contract that future agent actions must satisfy. Our results suggest that domain-scoped, human-verified memory offers a scalable oversight mechanism for CUAs, complementing broader alignment strategies by limiting silent policy drift and anchoring agent behavior to the norms and safety constraints of the target domain.

We present MAATS, a Multi Agent Automated Translation System that leverages the Multidimensional Quality Metrics (MQM) framework as a fine-grained signal for error detection and refinement. MAATS employs multiple specialized AI agents, each focused on a distinct MQM category (e.g., Accuracy, Fluency, Style, Terminology), followed by a synthesis agent that integrates the annotations to iteratively refine translations. This design contrasts with conventional single-agent methods that rely on self-correction. Evaluated across diverse language pairs and Large Language Models (LLMs), MAATS outperforms zero-shot and single-agent baselines with statistically significant gains in both automatic metrics and human assessments. It excels particularly in semantic accuracy, locale adaptation, and linguistically distant language pairs. Qualitative analysis highlights its strengths in multi-layered error diagnosis, omission detection across perspectives, and context-aware refinement. By aligning modular agent roles with interpretable MQM dimensions, MAATS narrows the gap between black-box LLMs and human translation workflows, shifting focus from surface fluency to deeper semantic and contextual fidelity.

Unfortunately, when we move away from the safe haven of two-agent strictly competitive games, a lot of these regularities disappear.

This paper presents a position-based flocking model for interacting agents, balancing cohesion-separation and alignment to achieve stable collective motion. The model modifies a position-velocity-based approach by approximating velocity differences using initial and current positions, introducing a threshold weight to ensure sustained alignment. Simulations with 50 agents in 2D demonstrate that the position-based model produces stronger alignment and more rigid and compact formations compared to the position-velocity-based model. The alignment metric and separation distances highlight the efficacy of the proposed model in achieving robust flocking behavior. The model's use of positions ensures robust alignment, with applications in robotics and collective dynamics.

Mobile robots navigating in crowds trained using reinforcement learning are known to suffer performance degradation when faced with out-of-distribution scenarios. We propose that by properly accounting for the uncertainties of pedestrians, a robot can learn safe navigation policies that are robust to distribution shifts. Our method augments agent observations with prediction uncertainty estimates generated by adaptive conformal inference, and it uses these estimates to guide the agent's behavior through constrained reinforcement learning. The system helps regulate the agent's actions and enables it to adapt to distribution shifts. In the in-distribution setting, our approach achieves a 96.93% success rate, which is over 8.80% higher than the previous state-of-the-art baselines with over 3.72 times fewer collisions and 2.43 times fewer intrusions into ground-truth human future trajectories. In three out-of-distribution scenarios, our method shows much stronger robustness when facing distribution shifts in velocity variations, policy changes, and transitions from individual to group dynamics. We deploy our method on a real robot, and experiments show that the robot makes safe and robust decisions when interacting with both sparse and dense crowds. Our code and videos are available on https://gen-safe-nav.github.io/.

Capturing human learning behavior based on deep learning methods has become a major research focus in both psychology and intelligent systems. Recent approaches rely on controlled experiments or rule-based models to explore cognitive processes. However, they struggle to capture learning dynamics, track progress over time, or provide explainability. To address these challenges, we introduce LearnerAgent, a novel multi-agent framework based on Large Language Models (LLMs) to simulate a realistic teaching environment. To explore human-like learning dynamics, we construct learners with psychologically grounded profiles-such as Deep, Surface, and Lazy-as well as a persona-free General Learner to inspect the base LLM's default behavior. Through weekly knowledge acquisition, monthly strategic choices, periodic tests, and peer interaction, we can track the dynamic learning progress of individual learners over a full-year journey. Our findings are fourfold: 1) Longitudinal analysis reveals that only Deep Learner achieves sustained cognitive growth. Our specially designed "trap questions" effectively diagnose Surface Learner's shallow knowledge. 2) The behavioral and cognitive patterns of distinct learners align closely with their psychological profiles. 3) Learners' self-concept scores evolve realistically, with the General Learner developing surprisingly high self-efficacy despite its cognitive limitations. 4) Critically, the default profile of base LLM is a "diligent but brittle Surface Learner"-an agent that mimics the behaviors of a good student but lacks true, generalizable understanding. Extensive simulation experiments demonstrate that LearnerAgent aligns well with real scenarios, yielding more insightful findings about LLMs' behavior.