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Zhenhailong Wang

Publications and source records attributed to Zhenhailong Wang.

At least 19 recordsLinked to original sources

Fraglingo: Molecular Design via Attachment-Aware Autoregressive Fragment Generation

We introduce Fraglingo, an autoregressive molecular generator that constructs molecules step by step from chemically meaningful fragments connected through predefined attachment sites. At each generation step, Fraglingo jointly predicts which fragment to add and how it should attach by producing an attachment-aware fragment embedding and retrieving the nearest fragment through latent-space search. A wildcard-anchored readout represents both the growing molecule and candidate fragments relative to their attachment sites, enabling a single latent prediction to determine both fragment identity and attachment configuration. Because prediction operates in a continuous embedding space rather than over fixed fragment identifiers, larger fragment libraries can be introduced at inference time without retraining. This retrieval-based formulation provides a unified generation primitive for molecule generation, scaffold generation, scaffold decoration, and molecule optimization. Fraglingo also supports property-conditional generation, allowing desired molecular properties to guide the generation process. On controlled property-conditional benchmarks, Fraglingo achieves stronger joint property control than comparably trained baselines while maintaining competitive validity, uniqueness, and novelty. It also generalizes to fragment libraries up to four times larger than those used during training without retraining. Code is available at: https://anonymous.4open.science/r/FragLingo-3551.

cs.AI↗

Apodex Discovery: Reality Benchmarks and Environments for Evaluating and Building Discoverative Artificial Intelligence

Apollo did not reach the Moon merely because its engineers could solve difficult equations. It succeeded by turning a distant ambition into a mission architecture of explicit objectives, simulation, verification, and repeated correction. AI now faces a similar transition: frontier models can solve difficult tasks once the problem, tools, and success criteria are specified, yet consequential real-world challenges rarely arrive in an executable or verifiable form. We introduce Apodex Discovery, a framework for building and evaluating discoverative AI through the heavy-duty solver, a system comprising a foundation model, harness, tools, and control policies that pursues extended, stateful, verifiable investigations. It has three core components. First, a problem-scouting process surveyed 561 industries across 16 sectors, assembled 423 high-value real-world problems, and selected 20 for the initial release. Second, a common environment-task-episode abstraction provides data, tools, constraints, feedback, trajectory recording, and verification of intermediate artifacts and final submissions. Third, HDS6 evaluates Tools, Repair, Alternatives, Coherence, Evidence, and Scope independently of final-task success. In AAV capsid design, Apodex surpassed the published state of the art by 7% across viability, tropism, structure prediction, and generative design. In drug repurposing and reformulation, a task-specific biomedical environment improved the mean normalized prediction score of GPT-5.5 and GPT-5.6-sol by 2.5 and 7.6 points over the same closed-book backbone. Controlled ablations show that the fixed TRACES episode interface enables attribution of performance differences to specific solver components. Apodex Discovery moves AI evaluation beyond predefined benchmarks toward verifiable investigations aimed at genuine discovery.

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CURV: Enhancing Chart Understanding Through Curriculum Visual Grounded Reasoning

Chart question answering (CQA) requires multimodal large language models (MLLMs) to integrate visual comprehension with logical reasoning, yet current models struggle with accurate visual grounding and coherent reasoning chains. While extrinsic chain-of-thought prompting and visual cues significantly improve performance, current MLLMs lack intrinsic visual grounded reasoning capabilities, leading to inaccurate perception and reasoning disconnected from visual evidence. To address these limitations, we propose CURV, a curriculum learning framework that develops intrinsic visual reasoning capabilities by reformulating CQA as multi-step visual grounded reasoning, where each step coordinates logical reasoning with dynamic visual grounding through spatial attention concentration. To assist model learning, we further introduce CCQA, a three-level curriculum dataset with scalable synthetic generation across diverse chart types and reasoning patterns. Our curriculum systematically progresses from basic single-operation reasoning to complex multi-chart compositional tasks. Experiments demonstrate that CURV achieves up to $\uparrow20.50\%$ improvements over baselines and is generalizable to real-world benchmarks (up to $\uparrow12.30\%$) and out-of-domain multimodal reasoning tasks (up to $\uparrow10.20\%$), validating the effectiveness of internalizing visual reasoning with dynamic grounding for enhanced chart understanding capabilities. Code is available at: https://xhguo7.github.io/CURV/.

cs.CV↗

Long-Horizon Embodied Decision-Making via Multimodal Memory Compression

Agents are increasingly expected to act not only as task executors, but also as decision-makers on behalf of human users. This shift requires agents to accumulate evidence over long horizons, interpret implicit user preferences, and compare multiple candidates under partial observations. In this work, we propose DunphyBench, a new benchmark for evaluating agents on long-horizon human-centered embodied decision-making, where the agent must navigate through multiple embodied housing environments and make decisions that align with multi-dimensional human preferences. Unlike standard embodied reasoning tasks that often focus on procedural planning or immediate goal completion, our setting requires agents to integrate multimodal, multi-source input into coherent knowledge that supports complex reasoning across long horizon. The evaluation results reveal that there is a substantial gap between current agents and human performance. Furthermore, our diagnosis of state-of-the-art VLM-driven agents reveals that memory management is one of the bottlenecks, where raw multimodal history introduces noise that hinders decision quality. Motivated by this finding, we design MeMento, a preference-conditioned multimodal memory compressor that selectively compresses decision-relevant information from long-horizon history based on user preferences with a fixed set of memory tokens. Experiments show that MeMento helps VLM-driven agents improve accuracy by 7.18%, while reducing memory usage by 85.38% compared to the strongest baseline.

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From Context to Skills: Can Language Models Learn from Context Skillfully?

Many real-world tasks require language models (LMs) to reason over complex contexts that exceed their parametric knowledge. This calls for context learning, where LMs directly learn relevant knowledge from the given context. An intuitive solution is inference-time skill augmentation: extracting the rules and procedures from context into natural-language skills. However, constructing such skills for context learning scenarios faces two challenges: the prohibitive cost of manual skill annotation for long, technically dense contexts, and the lack of external feedback for automated skill construction. In this paper, we propose Ctx2Skill, a self-evolving framework that autonomously discovers, refines, and selects context-specific skills without human supervision or external feedback. At its core, a multi-agent self-play loop has a Challenger that generates probing tasks and rubrics, a Reasoner that attempts to solve them guided by an evolving skill set, and a neutral Judge that provides binary feedback. Crucially, both the Challenger and the Reasoner evolve through accumulated skills: dedicated Proposer and Generator agents analyze failure cases and synthesize them into targeted skill updates for both sides, enabling automated skill discovery and refinement. To prevent adversarial collapse caused by increasingly extreme task generation and over-specialized skill accumulation, we further introduce a Cross-time Replay mechanism that identifies the skill set achieving the best balance across representative cases for the Reasoner side, ensuring robust and generalizable skill evolution. The resulting skills can be plugged into any language model to obtain better context learning capability. Evaluated on four context learning tasks from CL-bench, Ctx2Skill consistently improves solving rates across backbone models.

cs.AI↗

AdaPlanBench: Evaluating Adaptive Planning in Large Language Model Agents under World and User Constraints

Planning for real-world problems by language models often involves both world and user constraints, which may not be fully specified upfront and are progressively disclosed through interaction. However, existing benchmarks still underexplore adaptive planning under such progressively revealed dual constraints. To address this gap, we introduce AdaPlanBench, a dynamic interactive benchmark for evaluating whether Large Language Model (LLM) agents can adaptively plan and re-plan under progressively revealed world and user constraints. AdaPlanBench is built on 307 household tasks, with a scalable constraint construction pipeline that augments each task with dual constraints. At runtime, agents interact with the environment in a multi-turn protocol where hidden constraints are revealed only when the agent proposes a plan that violates them, requiring iterative plan revision under accumulating feedback. This makes planning challenging, as agents must infer and track constraints from feedback while re-planning effectively. Experiments on ten leading LLMs show that adaptive planning under dual constraints remains challenging, with the best model reaching only 67.75% accuracy. We further observe that performance degrades as more constraints accumulate, with user constraints posing a particularly large challenge and failures often stemming from weaker physical grounding and reduced effectiveness. These results establish AdaPlanBench as a testbed for dual-constrained interactive planning and highlight the challenge of reliable adaptation to dynamically revealed constraints in LLM agents.

cs.CL↗

Trimming the Long-Tail of Visual World Modeling Evaluation

Physical interactions follow a long-tailed distribution: a set of common and regular interactions dominates human experience and visual data, while a broad spectrum of rare and irregular interactions remains underrepresented. Although recent visual world models, including image and video generation models, achieve impressive realism on existing benchmarks, they primarily focus on simulating common physical interactions. This raises a central question: Do current visual world models internalize and generalize physical principles? In this work, we introduce Tailor-Bench, a benchmark that challenges world models to simulate irregular physical interactions. To enable systematic evaluation, we design three scenario modes that progressively challenge model reasoning: Regular scenarios reflect common tool-task pairs, Unconventional scenarios replace conventional tools with attribute-compatible substitutes to test affordance generalization, and Impossible scenarios introduce attribute-violating tools to probe constraint awareness. Additionally, we design two complementary settings under a unified evaluation protocol: predictive generation requires inferring outcomes without guidance, while descriptive generation specifies the target outcome for faithful realization. Our experimental results reveal a clear long-tail gap in physical world modeling: performance degrades from Regular to Unconventional and Impossible scenarios, indicating limited generalization beyond common interactions. Failure analysis further shows that models rely on superficial visual patterns: image models fail to realize correct state changes, while video models further suffer from temporal inconsistencies.

cs.CV↗

PlanBench-XL: Evaluating Long-Horizon Planning of LLM Tool-Use Agents in Large-Scale Tool Ecosystems

LLM agents increasingly operate in large tool ecosystems, where real-world tasks require discovering relevant tools, inferring implicit sub-goals, and adapting to dynamic environments over long horizons. However, existing benchmarks rarely evaluate planning under retrieval-limited tool visibility. To address this gap, we introduce PlanBench-XL, an interactive benchmark of 327 retail tasks over 1,665 tools that tests whether agents can iteratively retrieve usable tools, invoke them to uncover intermediate evidence for subsequent calls toward the final goal. PlanBench-XL further features an optional blocking mechanism that simulates real-world unpredictability through missing, failing, or distracting tool functions, forcing agents to detect disrupted paths and adapt at runtime. Experiments on ten leading LLMs show that massive-tool planning remains challenging: while GPT-5.4 achieves 51.90% accuracy in block-free settings, it collapses to 11.36% under the most severe blocking condition. Further analysis shows that agents are especially vulnerable when failures lack explicit error signals or when recovery requires longer alternative tool-use paths. These results establish PlanBench-XL as a testbed for diagnosing agentic planning failures and highlight the need for robust adaptive planning in long-horizon tasks with large, imperfect tool environments.

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ACCORD: Action-Conditioned Contextual Grounding for Language Agents

User instructions are often underspecified because humans rely on implicit assumptions about the surrounding environment. For large language model (LLM) agents operating in information-rich digital and physical environments, these assumptions cannot be inferred from the instruction alone; they must be recovered from the current state of tools, data, interfaces, and observations. Effective execution therefore requires agents to identify missing context, ground it in observed evidence, and carry it forward into subsequent actions. We show that current agents often fail to do so. They act from assumed rather than observed specifics, overlook information they could have gathered, and fail to incorporate evidence that has already been returned. Building on this insight, we propose ACCORD (Action-Conditioned Contextual Grounding), a simple and effective agent framework for adaptive grounding. Before each action, ACCORD actively probes the environment for missing information and integrates relevant context from the agent's trajectory that would otherwise be overlooked. Requiring no additional training or task-success signals, ACCORD improves task-goal completion on AppWorld by up to +20.6 points with GPT-5-mini, from 42.0% to 62.6%, compared to strong baselines. These gains persist with a substantially stronger base model (+10.8 with Claude-4.5-sonnet), an open-weight model (+10.1 with Qwen3.5-27B-FP8), and on the embodied AlfWorld benchmark (+7.4 success rate with GPT-5-mini).

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Brick-Composer: Using MLLMs for Assembly with Diverse Bricks

We dream of AI agents that can read arbitrary designs and construct real-world objects from reusable building blocks. As a first step toward this vision, we study whether multimodal large language models (MLLMs) possess the visual grounding and spatial reasoning capabilities required for brick assembly. We formulate brick assembly as a sequential decision-making problem, where each step involves two subtasks: brick selection, identifying the target brick from candidate components, and brick pose estimation, predicting where and how the selected brick should be placed. To support this study, we introduce BC-Bench (Brick Construction Benchmark), the first benchmark for evaluating MLLMs on assembly with diverse bricks. Experiments show that current state-of-the-art MLLMs remain far from reliable builders, struggling with fine-grained brick selection and failing at precise pose estimation. To bridge this gap, we propose Brick-Composer, a learning framework that equips MLLMs with assembly skills through three complementary signals: Human Design Sparks, which provide affordance-rich construction demonstrations; World Feedback, which grounds predicted actions in visual and physical consequences; and Synthetic Experience, which scales learning beyond existing object designs. Brick-Composer improves brick selection accuracy by over three times, substantially reduces pose estimation errors, and raises strict step-level assembly success from less than 1% to around 15%. After training, a Qwen-3-8B can correctly compose up to 42% of the steps for a complete object, suggesting that MLLMs can acquire assembly capabilities through targeted, physically grounded learning.

cs.AI↗

Advancing Creative Physical Intelligence in Large Multimodal Models

Large multimodal models (LMMs) have rapidly advanced in perception and reasoning; however, it remains unclear whether these capabilities generalize to discovering visually grounded solutions in open-ended environments, beyond pattern recognition. In such settings, intelligence requires more than answering well-posed questions: it involves identifying how elements in a scene can be repurposed in non-obvious yet physically feasible ways. This form of creative problem-solving is central to human intelligence, but remains largely untested in current benchmarks. To evaluate this ability, we introduce MM-CreativityBench, a benchmark for affordance-grounded creative tool use in visually rich, physically constrained environments. Each instance presents a scenario image with structured views of candidate entities and their parts, enabling fine-grained, interactive evaluation of how models iteratively inspect the scene, identify relevant affordances, and compose visually and physically grounded solutions. Our experiments show that current LMMs often fall short, not due to lack of generative capability, but because they do not sustain grounded exploration. Models often overlook relevant entities, under-examine critical parts, or hallucinate attributes not grounded in the image. Motivated by this failure mode, we propose affordance-grounded alignment, which casts creative tool use as a preference learning problem. Using Direct Preference Optimization, we encourage models to prefer attribute-affordance reasoning grounded in visual evidence over hallucinated alternatives. In addition, we incorporate supervision derived from an affordance knowledge base to guide broader entity exploration and multi-turn planning. Our results show consistent gains in selecting the correct entities and parts, while substantially reducing hallucination and grounding-related errors.

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Crafter: A Multi-Agent Harness for Editable Scientific Figure Generation from Diverse Inputs

Scientific figures are among the most effective means of communicating complex research ideas, yet producing publication-quality illustrations remains one of the most labor-intensive parts of paper preparation. Existing automated systems each target a single figure type under text-only input, leaving the diversity of types and conditions researchers actually use unaddressed; their raster outputs further cannot be locally revised. Because scientific figures are structured compositions of discrete semantic components, the localized errors generators produce on such layouts demand not a stronger backbone but a harness. We instantiate this harness in two complementary systems: Crafter, a multi-agent harness for figure generation that generalizes across figure types and input conditions without architectural changes, and CraftEditor, which applies the same pattern to convert raster outputs into editable SVGs. Moreover, we introduce CraftBench, a benchmark spanning three figure types and four input conditions with human quality annotation. Experiments show that Crafter substantially outperforms both standalone generators and the agentic baseline on PaperBanana-Bench and CraftBench, with ablations confirming each component's independent contribution; CraftEditor faithfully converts outputs into editable SVGs that surpass all baselines. Our code and benchmark are available at https://github.com/HaozheZhao/Crafter.

cs.CV↗

CreativityBench: Evaluating Agent Creative Reasoning via Affordance-Based Tool Repurposing

Recent advances in large language models have led to strong performance on reasoning and environment-interaction tasks, yet their ability for creative problem-solving remains underexplored. We study this capability through the lens of creative tool use, where a model repurposes available objects by reasoning about their affordances and attributes rather than relying on canonical usage. As a first step, we introduce CreativityBench, a benchmark for evaluating affordance-based creativity in LLMs. To this end, we build a large-scale affordance knowledge base (KB) with 4K entities and 150K+ affordance annotations, explicitly linking objects, parts, attributes, and actionable uses. Building on this KB, we generate 14K grounded tasks that require identifying non-obvious yet physically plausible solutions under constraints. Evaluations across 10 state-of-the-art LLMs, including closed and open-source models, show that models can often select a plausible object, but fail to identify the correct parts, their affordances, and the underlying physical mechanism needed to solve the task, leading to a significant drop in performance. Furthermore, improvements from model scaling quickly saturate, strong general reasoning does not reliably translate to creative affordance discovery, and common inference-time strategies such as Chain-of-Thought yield limited gains. These results suggest that creative tool use remains a major challenge for current models, and that CreativityBench provides a useful testbed for studying this missing dimension of intelligence, with potential implications for planning and reasoning modules in future agents.

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Multimodal Policy Internalization for Conversational Agents

Modern conversational agents like ChatGPT and Alexa+ rely on predefined policies specifying metadata, response styles, and tool-usage rules. As these LLM-based systems expand to support diverse business and user queries, such policies, often implemented as in-context prompts, are becoming increasingly complex and lengthy, making faithful adherence difficult and imposing large fixed computational costs. With the rise of multimodal agents, policies that govern visual and multimodal behaviors are critical but remain understudied. Prior prompt-compression work mainly shortens task templates and demonstrations, while existing policy-alignment studies focus only on text-based safety rules. We introduce Multimodal Policy Internalization (MPI), a new task that internalizes reasoning-intensive multimodal policies into model parameters, enabling stronger policy-following without including the policy during inference. MPI poses unique data and algorithmic challenges. We build two datasets spanning synthetic and real-world decision-making and tool-using tasks and propose TriMPI, a three-stage training framework. TriMPI first injects policy knowledge via continual pretraining, then performs supervised finetuning, and finally applies PolicyRollout, a GRPO-style reinforcement learning extension that augments rollouts with policy-aware responses for grounded exploration. TriMPI achieves notable gains in end-to-end accuracy, generalization, and robustness to forgetting. As the first work on multimodal policy internalization, we provide datasets, training recipes, and comprehensive evaluations to foster future research. Project page: https://mikewangwzhl.github.io/TriMPI.

cs.CL↗

Perception-Aware Policy Optimization for Multimodal Reasoning

Reinforcement Learning with Verifiable Rewards (RLVR) has proven to be a highly effective strategy for endowing Large Language Models (LLMs) with robust multi-step reasoning abilities. However, its design and optimizations remain tailored to purely textual domains, resulting in suboptimal performance when applied to multimodal reasoning tasks. In particular, we observe that a major source of error in current multimodal reasoning lies in the perception of visual inputs. To address this bottleneck, we propose PAPO, a novel policy gradient algorithm that encourages the model to learn to perceive while learning to reason. Specifically, we introduce the Implicit Perception Loss in the form of a KL divergence term, which can be seamlessly plugged into mainstream RLVR algorithms such as GRPO and DAPO. Notably, PAPO does not rely on additional data curation, reward models, or stronger teacher models. To further enhance the training stability of PAPO, we introduce the Double Entropy Loss, which effectively regularizes the new KL objective without compromising performance. Despite its simplicity, PAPO yields significant overall improvements of 4.4%-17.5% on diverse multimodal benchmarks. The improvements are more pronounced, approaching 8.0%-19.1%, on tasks with high vision dependency. We also observe a substantial reduction of 30.5% in perception errors, indicating improved perceptual capabilities with PAPO. Overall, our work introduces a deeper integration of perception-aware supervision into core learning objectives and lays the groundwork for a new RL framework that encourages visually grounded reasoning. Code and data will be made publicly available for research purposes. Project page: https://mikewangwzhl.github.io/PAPO.

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OSExpert: Computer-Use Agents Learning Professional Skills via Exploration

General-purpose computer-use agents have shown impressive performance across diverse digital environments. However, our new benchmark, OSExpert-Eval, indicates they remain far less helpful than human experts. Although inference-time scaling enables adaptation, these agents complete complex tasks inefficiently with degraded performance, transfer poorly to unseen UIs, and struggle with fine-grained action sequences. To solve the problem, we introduce a GUI-based depth-first search (GUI-DFS) exploration algorithm to comprehensively explore and verify an environment's unit functions. The agent then exploits compositionality between unit skills to self-construct a curriculum for composite tasks. To support fine-grained actions, we curate a database of action primitives for agents to discover during exploration; these are saved as a skill set once the exploration is complete. We use the learned skills to improve the agent's performance and efficiency by (1) enriching agents with ready-to-use procedural knowledge, allowing them to plan only once for long trajectories and generate accurate actions, and (2) enabling them to end inference-time scaling earlier by realizing their boundary of capabilities. Extensive experiments show that our environment-learned agent takes a meaningful step toward expert-level computer use, achieving a around 20 percent performance gain on OSExpert-Eval and closing the efficiency gap to humans by around 80 percent

cs.AI↗

Predicting Camera Pose from Perspective Descriptions for Spatial Reasoning

Multi-image spatial reasoning remains challenging for current multimodal large language models (MLLMs). While single-view perception is inherently 2D, reasoning over multiple views requires building a coherent scene understanding across viewpoints. In particular, we study perspective taking, where a model must build a coherent 3D understanding from multi-view observations and use it to reason from a new, language-specified viewpoint. We introduce CAMCUE, a pose-aware multi-image framework that uses camera pose as an explicit geometric anchor for cross-view fusion and novel-view reasoning. CAMCUE injects per-view pose into visual tokens, grounds natural-language viewpoint descriptions to a target camera pose, and synthesizes a pose-conditioned imagined target view to support answering. To support this setting, we curate CAMCUE-DATA with 27,668 training and 508 test instances pairing multi-view images and poses with diverse target-viewpoint descriptions and perspective-shift questions. We also include human-annotated viewpoint descriptions in the test split to evaluate generalization to human language. CAMCUE improves overall accuracy by 9.06% and predicts target poses from natural-language viewpoint descriptions with over 90% rotation accuracy within 20° and translation accuracy within a 0.5 error threshold. This direct grounding avoids expensive test-time search-and-match, reducing inference time from 256.6s to 1.45s per example and enabling fast, interactive use in real-world scenarios.

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A Survey of Self-Evolving Agents: What, When, How, and Where to Evolve on the Path to Artificial Super Intelligence

Large Language Models (LLMs) have demonstrated remarkable capabilities across diverse tasks but remain fundamentally static, unable to adapt their internal parameters to novel tasks, evolving knowledge domains, or dynamic interaction contexts. As LLMs are increasingly deployed in open-ended, interactive environments, this static nature has become a critical bottleneck, necessitating agents that can adaptively reason, act, and evolve in real time. This paradigm shift -- from scaling static models to developing self-evolving agents -- has sparked growing interest in architectures and methods enabling continual learning and adaptation from data, interactions, and experiences. This survey provides the first systematic and comprehensive review of self-evolving agents, organizing the field around three foundational dimensions: what, when, and how to evolve. We examine evolutionary mechanisms across agent components (e.g., models, memory, tools, architecture), categorize adaptation methods by stages (e.g., intra-test-time, inter-test-time), and analyze the algorithmic and architectural designs that guide evolutionary adaptation (e.g., scalar rewards, textual feedback, single-agent and multi-agent systems). Additionally, we analyze evaluation metrics and benchmarks tailored for self-evolving agents, highlight applications in domains such as coding, education, and healthcare, and identify critical challenges and research directions in safety, scalability, and co-evolutionary dynamics. By providing a structured framework for understanding and designing self-evolving agents, this survey establishes a roadmap for advancing more adaptive, robust, and versatile agentic systems in both research and real-world deployments, and ultimately sheds light on the realization of Artificial Super Intelligence (ASI) where agents evolve autonomously and perform beyond human-level intelligence across tasks.

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