Abstract:We study implicit reasoning, i.e. the ability to combine knowledge or rules within a single forward pass. While transformer-based large language models store substantial factual knowledge and rules, they often fail to compose this knowledge for implicit multi-hop reasoning, suggesting a lack of compositional generalization over their parametric knowledge. To address this limitation, we study recurrent-depth transformers, which enables iterative computation over the same transformer layers. We investigate two compositional generalization challenges under the implicit reasoning scenario: systematic generalization, i.e. combining knowledge that is never used for compositions during training, and depth extrapolation, i.e. generalizing from limited reasoning depth (e.g. training on up to 5-hop) to deeper compositions (e.g. 10-hop). Through controlled studies with models trained from scratch, we show that while vanilla transformers struggle with both generalization challenges, recurrent-depth transformers can effectively make such generalization. For systematic generalization, we find that this ability emerges through a three-stage grokking process, transitioning from memorization to in-distribution generalization and finally to systematic generalization, supported by mechanistic analysis. For depth extrapolation, we show that generalization beyond training depth can be unlocked by scaling inference-time recurrence, with more iterations enabling deeper reasoning. We further study how training strategies affect extrapolation, providing guidance on training recurrent-depth transformers, and identify a key limitation, overthinking, where excessive recurrence degrades predictions and limits generalization to very deep compositions.
Abstract:Multi-objective retrosynthesis planning is a critical chemistry task requiring dynamic balancing of quality, safety, and cost objectives. Language model-based multi-agent systems (MAS) offer a promising approach for this task: leveraging interactions of specialized agents to incorporate multiple objectives into retrosynthesis planning. We present MMORF, a framework for constructing MAS for multi-objective retrosynthesis planning. MMORF features modular agentic components, which can be flexibly combined and configured into different systems, enabling principled evaluation and comparison of different system designs. Using MMORF, we construct two representative MAS: MASIL and RFAS. On a newly curated benchmark consisting of 218 multi-objective retrosynthesis planning tasks, MASIL achieves strong safety and cost metrics on soft-constraint tasks, frequently Pareto-dominating baseline routes, while RFAS achieves a 48.6% success rate on hard-constraint tasks, outperforming state-of-the-art baselines. Together, these results show the effectiveness of MMORF as a foundational framework for exploring MAS for multi-objective retrosynthesis planning. Code and data are available at https://anonymous.4open.science/r/MMORF/.
Abstract:Multi-agent systems composed of large generative models are rapidly moving from laboratory prototypes to real-world deployments, where they jointly plan, negotiate, and allocate shared resources to solve complex tasks. While such systems promise unprecedented scalability and autonomy, their collective interaction also gives rise to failure modes that cannot be reduced to individual agents. Understanding these emergent risks is therefore critical. Here, we present a pioneer study of such emergent multi-agent risk in workflows that involve competition over shared resources (e.g., computing resources or market share), sequential handoff collaboration (where downstream agents see only predecessor outputs), collective decision aggregation, and others. Across these settings, we observe that such group behaviors arise frequently across repeated trials and a wide range of interaction conditions, rather than as rare or pathological cases. In particular, phenomena such as collusion-like coordination and conformity emerge with non-trivial frequency under realistic resource constraints, communication protocols, and role assignments, mirroring well-known pathologies in human societies despite no explicit instruction. Moreover, these risks cannot be prevented by existing agent-level safeguards alone. These findings expose the dark side of intelligent multi-agent systems: a social intelligence risk where agent collectives, despite no instruction to do so, spontaneously reproduce familiar failure patterns from human societies.
Abstract:Neural text-to-SQL models, which translate natural language questions (NLQs) into SQL queries given a database schema, have achieved remarkable performance. However, database schemas frequently evolve to meet new requirements. Such schema evolution often leads to performance degradation for models trained on static schemas. Existing work either mainly focuses on simply paraphrasing some syntactic or semantic mappings among NLQ, DB and SQL, or lacks a comprehensive and controllable way to investigate the model robustness issue under the schema evolution, which is insufficient when facing the increasingly complex and rich database schema changes in reality, especially in the LLM era. To address the challenges posed by schema evolution, we present EvoSchema, a comprehensive benchmark designed to assess and enhance the robustness of text-to-SQL systems under real-world schema changes. EvoSchema introduces a novel schema evolution taxonomy, encompassing ten perturbation types across columnlevel and table-level modifications, systematically simulating the dynamic nature of database schemas. Through EvoSchema, we conduct an in-depth evaluation spanning different open source and closed-source LLMs, revealing that table-level perturbations have a significantly greater impact on model performance compared to column-level changes. Furthermore, EvoSchema inspires the development of more resilient text-to-SQL systems, in terms of both model training and database design. The models trained on EvoSchema's diverse schema designs can force the model to distinguish the schema difference for the same questions to avoid learning spurious patterns, which demonstrate remarkable robustness compared to those trained on unperturbed data on average. This benchmark offers valuable insights into model behavior and a path forward for designing systems capable of thriving in dynamic, real-world environments.
Abstract:Humans excel at remembering concrete experiences along spatiotemporal contexts and performing reasoning across those events, i.e., the capacity for episodic memory. In contrast, memory in language agents remains mainly semantic, and current agents are not yet capable of effectively recollecting and reasoning over interaction histories. We identify and formalize the core challenges of episodic recollection and reasoning from this gap, and observe that existing work often overlooks episodicity, lacks explicit event modeling, or overemphasizes simple retrieval rather than complex reasoning. We present REMem, a two-phase framework for constructing and reasoning with episodic memory: 1) Offline indexing, where REMem converts experiences into a hybrid memory graph that flexibly links time-aware gists and facts. 2) Online inference, where REMem employs an agentic retriever with carefully curated tools for iterative retrieval over the memory graph. Comprehensive evaluation across four episodic memory benchmarks shows that REMem substantially outperforms state-of-the-art memory systems such as Mem0 and HippoRAG 2, showing 3.4% and 13.4% absolute improvements on episodic recollection and reasoning tasks, respectively. Moreover, REMem also demonstrates more robust refusal behavior for unanswerable questions.
Abstract:Real-world digital environments are highly diverse and dynamic. These characteristics cause agents to frequently encounter unseen scenarios and distribution shifts, making continual learning in specific environments essential for computer-use agents (CUAs). However, a key challenge lies in obtaining high-quality and environment-grounded agent data without relying on costly human annotation. In this work, we introduce ACuRL, an Autonomous Curriculum Reinforcement Learning framework that continually adapts agents to specific environments with zero human data. The agent first explores target environments to acquire initial experiences. During subsequent iterative training, a curriculum task generator leverages these experiences together with feedback from the previous iteration to synthesize new tasks tailored for the agent's current capabilities. To provide reliable reward signals, we introduce CUAJudge, a robust automatic evaluator for CUAs that achieves 93% agreement with human judgments. Empirically, our method effectively enables both intra-environment and cross-environment continual learning, yielding 4-22% performance gains without catastrophic forgetting on existing environments. Further analyses show highly sparse updates (e.g., 20% parameters), which helps explain the effective and robust adaptation. Our data and code are available at https://github.com/OSU-NLP-Group/ACuRL.
Abstract:Although computer-use agents (CUAs) hold significant potential to automate increasingly complex OS workflows, they can demonstrate unsafe unintended behaviors that deviate from expected outcomes even under benign input contexts. However, exploration of this risk remains largely anecdotal, lacking concrete characterization and automated methods to proactively surface long-tail unintended behaviors under realistic CUA scenarios. To fill this gap, we introduce the first conceptual and methodological framework for unintended CUA behaviors, by defining their key characteristics, automatically eliciting them, and analyzing how they arise from benign inputs. We propose AutoElicit: an agentic framework that iteratively perturbs benign instructions using CUA execution feedback, and elicits severe harms while keeping perturbations realistic and benign. Using AutoElicit, we surface hundreds of harmful unintended behaviors from state-of-the-art CUAs such as Claude 4.5 Haiku and Opus. We further evaluate the transferability of human-verified successful perturbations, identifying persistent susceptibility to unintended behaviors across various other frontier CUAs. This work establishes a foundation for systematically analyzing unintended behaviors in realistic computer-use settings.
Abstract:Computer-use agents (CUAs) have made tremendous progress in the past year, yet they still frequently produce misaligned actions that deviate from the user's original intent. Such misaligned actions may arise from external attacks (e.g., indirect prompt injection) or from internal limitations (e.g., erroneous reasoning). They not only expose CUAs to safety risks, but also degrade task efficiency and reliability. This work makes the first effort to define and study misaligned action detection in CUAs, with comprehensive coverage of both externally induced and internally arising misaligned actions. We further identify three common categories in real-world CUA deployment and construct MisActBench, a benchmark of realistic trajectories with human-annotated, action-level alignment labels. Moreover, we propose DeAction, a practical and universal guardrail that detects misaligned actions before execution and iteratively corrects them through structured feedback. DeAction outperforms all existing baselines across offline and online evaluations with moderate latency overhead: (1) On MisActBench, it outperforms baselines by over 15% absolute in F1 score; (2) In online evaluation, it reduces attack success rate by over 90% under adversarial settings while preserving or even improving task success rate in benign environments.
Abstract:Chemical large language models (LLMs) predominantly rely on explicit Chain-of-Thought (CoT) in natural language to perform complex reasoning. However, chemical reasoning is inherently continuous and structural, and forcing it into discrete linguistic tokens introduces a fundamental representation mismatch that constrains both efficiency and performance. We introduce LatentChem, a latent reasoning interface that decouples chemical computation from textual generation, enabling models to perform multi-step reasoning directly in continuous latent space while emitting language only for final outputs. Remarkably, we observe a consistent emergent behavior: when optimized solely for task success, models spontaneously internalize reasoning, progressively abandoning verbose textual derivations in favor of implicit latent computation. This shift is not merely stylistic but computationally advantageous. Across diverse chemical reasoning benchmarks, LatentChem achieves a 59.88\% non-tie win rate over strong CoT-based baselines on ChemCoTBench, while delivering a 10.84$\times$ average inference speedup. Our results provide empirical evidence that chemical reasoning is more naturally and effectively realized as continuous latent dynamics rather than discretized linguistic trajectories.
Abstract:Recently, there have been significant research interests in training large language models (LLMs) with reinforcement learning (RL) on real-world tasks, such as multi-turn code generation. While online RL tends to perform better than offline RL, its higher training cost and instability hinders wide adoption. In this paper, we build on the observation that multi-turn code generation can be formulated as a one-step recoverable Markov decision process and propose contextual bandit learning with offline trajectories (Cobalt), a new method that combines the benefits of online and offline RL. Cobalt first collects code generation trajectories using a reference LLM and divides them into partial trajectories as contextual prompts. Then, during online bandit learning, the LLM is trained to complete each partial trajectory prompt through single-step code generation. Cobalt outperforms two multi-turn online RL baselines based on GRPO and VeRPO, and substantially improves R1-Distill 8B and Qwen3 8B by up to 9.0 and 6.2 absolute Pass@1 scores on LiveCodeBench. Also, we analyze LLMs' in-context reward hacking behaviors and augment Cobalt training with perturbed trajectories to mitigate this issue. Overall, our results demonstrate Cobalt as a promising solution for iterative decision-making tasks like multi-turn code generation. Our code and data are available at https://github.com/OSU-NLP-Group/cobalt.