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Xiaoman Pan

Publications and source records attributed to Xiaoman Pan.

At least 19 recordsLinked to original sources

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.

cs.AI

SynPlanResearch-R1: Encouraging Tool Exploration for Deep Research with Synthetic Plans

Research Agents enable models to gather information from the web using tools to answer user queries, requiring them to dynamically interleave internal reasoning with tool use. While such capabilities can in principle be learned via reinforcement learning with verifiable rewards (RLVR), we observe that agents often exhibit poor exploration behaviors, including premature termination and biased tool usage. As a result, RLVR alone yields limited improvements. We propose SynPlanResearch-R1, a framework that synthesizes tool-use trajectories that encourage deeper exploration to shape exploration during cold-start supervised fine-tuning, providing a strong initialization for subsequent RL. Across seven multi-hop and open-web benchmarks, \framework improves performance by up to 6.0% on Qwen3-8B and 5.8% on Qwen3-4B backbones respectively compared to SOTA baselines. Further analyses of tool-use patterns and training dynamics compared to baselines shed light on the factors underlying these gains. Our code is publicly available at https://github.com/HansiZeng/syn-plan-research.

cs.AI

Toward Honest Language Models for Deductive Reasoning

Deductive reasoning is the process of deriving conclusions strictly from the given premises, without relying on external knowledge. We define honesty in this setting as a model's ability to respond only when the conclusion is logically entailed by the premises, and to abstain otherwise. However, current language models often fail to reason honestly, producing unwarranted answers when the input is insufficient. To study this challenge, we formulate honest deductive reasoning as multi-step tasks where models must either derive the correct conclusion or abstain. We curate two datasets from graph structures, one for linear algebra and one for logical inference, and introduce unanswerable cases by randomly perturbing an edge in half of the instances. We find that prompting and existing training methods, including GRPO with or without supervised fine-tuning initialization, struggle on these tasks. In particular, GRPO optimize only for final task outcomes, leaving models vulnerable to collapse when negative rewards dominate early training. To address this, we propose ACNCHOR, a reinforcement learning method that injects ground truth trajectories into rollouts, preventing early training collapse. Our results demonstrate that this method stabilizes learning and significantly improves the overall reasoning performance, underscoring the importance of training dynamics for enabling honest deductive reasoning in language models.

cs.CL

Soundness-Aware Level: A Microscopic Signature that Predicts LLM Reasoning Potential

Reinforcement learning with verifiable rewards (RLVR) can elicit strong reasoning in large language models (LLMs), while their performance after RLVR varies dramatically across different base models. This raises a fundamental question: what microscopic property of pre-trained models leads to this variation? To investigate, we formalize reasoning as chains of Horn clauses ("if-then" rules) built from features extracted from the LLM's latent space via cross-layer sparse autoencoders (SAEs). We estimate the transition probabilities between its features, and further categorize each rule by its semantic soundness level (e.g., strict, plausible, noisy) with an LLM. Our key discovery is that high-potential models are inherently soundness-aware: their internal probability distributions systematically shift across rules' soundness levels, becoming highly distinct for "strict" versus "noisy" rules. In contrast, weaker models are soundness-agnostic, collapsing to one distribution regardless of soundness levels. To quantify this, we introduce the Soundness-Aware Level (SAL), a microscopic metric using the Jensen-Shannon Divergence to measure the separation between these distributions. We show that SAL's predictions of post-RLVR reasoning performance follow a precise empirical law (R^2=0.87) across diverse model families (Qwen, Mistral, Llama, DeepSeek) and scales (0.5B-14B). This reveals that a model's reasoning potential is tied to its intrinsic, pre-trained ability to distinguish sound knowledge from unsound ones. These findings underscore the critical role of model pre-training in shaping reasoning and offer a practical metric grounded in the model's internal mechanisms for selecting/designing stronger base models.

cs.LG

MaPPO: Maximum a Posteriori Preference Optimization with Prior Knowledge

As the era of large language models (LLMs) unfolds, Preference Optimization (PO) methods have become a central approach to aligning LLMs with human preferences and improving performance. We propose Maximum a Posteriori Preference Optimization (MaPPO), a methodology for learning from preferences that explicitly incorporates prior reward knowledge into the optimization objective. Building on the paradigm employed by Direct Preference Optimization (DPO) and its variants of treating preference learning as a Maximum Likelihood Estimation (MLE) problem, MaPPO integrates prior reward estimates into a principled Maximum a Posteriori (MaP) objective. This not only generalizes DPO and its variants, but also enhances alignment by mitigating the oversimplified binary classification of responses. Additionally, MaPPO introduces no additional hyperparameters, and supports preference optimization in both offline and online settings. In addition, MaPPO can be used as a plugin for DPO variants, including widely used SimPO, IPO and CPO, and produce consistent improvements. Extensive empirical evaluations of different model sizes and model series on three standard benchmarks (MT-Bench, AlpacaEval 2.0, and Arena-Hard) demonstrate consistent improvements in alignment performance without sacrificing computational efficiency.

cs.LG

PersonaAgent: Bridging Memory and Action for Personalized LLM Agents

Large Language Model (LLM) empowered agents have recently emerged as advanced paradigms that exhibit impressive capabilities in a wide range of domains and tasks. Despite their potential, current LLM agents often adopt a one-size-fits-all approach, lacking the flexibility to respond to users' varying needs and preferences. This limitation motivates us to develop PersonaAgent, the first personalized LLM agent framework designed to address versatile personalization tasks. Specifically, PersonaAgent integrates two complementary components - a personalized memory module that includes episodic and semantic memory mechanisms; a personalized action module that enables the agent to perform tool actions tailored to the user. At the core, the persona (defined as unique system prompt for each user) functions as an intermediary: it leverages insights from personalized memory to control agent actions, while the outcomes of these actions in turn refine the memory. Based on the framework, we propose a test-time user-preference alignment strategy that simulate the latest n interactions to optimize the persona prompt, ensuring real-time user preference alignment through textual loss feedback between simulated and ground-truth responses. Experimental evaluations demonstrate that PersonaAgent significantly outperforms other baseline methods by not only personalizing the action space effectively but also scaling during test-time real-world applications. These results underscore the feasibility and potential of our approach in delivering tailored, dynamic user experiences.

cs.AI

Bridging SFT and DPO for Diffusion Model Alignment with Self-Sampling Preference Optimization

Existing post-training techniques are broadly categorized into supervised fine-tuning (SFT) and reinforcement learning (RL) methods; the former is stable during training but suffers from limited generalization, while the latter, despite its stronger generalization capability, relies on additional preference data or reward models and carries the risk of reward exploitation. In order to preserve the advantages of both SFT and RL -- namely, eliminating the need for paired data and reward models while retaining the training stability of SFT and the generalization ability of RL -- a new alignment method, Self-Sampling Preference Optimization (SSPO), is proposed in this paper. SSPO introduces a Random Checkpoint Replay (RCR) strategy that utilizes historical checkpoints to construct paired data, thereby effectively mitigating overfitting. Simultaneously, a Self-Sampling Regularization (SSR) strategy is employed to dynamically evaluate the quality of generated samples; when the generated samples are more likely to be winning samples, the approach automatically switches from DPO (Direct Preference Optimization) to SFT, ensuring that the training process accurately reflects the quality of the samples. Experimental results demonstrate that SSPO not only outperforms existing methods on text-to-image benchmarks, but its effectiveness has also been validated in text-to-video tasks. We validate SSPO across both text-to-image and text-to-video benchmarks. SSPO surpasses all previous approaches on the text-to-image benchmarks and demonstrates outstanding performance on the text-to-video benchmarks.

cs.CV

DivScene: Towards Open-Vocabulary Object Navigation with Large Vision Language Models in Diverse Scenes

Large Vision-Language Models (LVLMs) have achieved significant progress in tasks like visual question answering and document understanding. However, their potential to comprehend embodied environments and navigate within them remains underexplored. In this work, we first study the challenge of open-vocabulary object navigation by introducing DivScene, a large-scale dataset with 4,614 houses across 81 scene types and 5,707 kinds of target objects. Our dataset provides a much greater diversity of target objects and scene types than existing datasets, enabling a comprehensive task evaluation. We evaluated various methods with LVLMs and LLMs on our dataset and found that current models still fall short of open-vocab object navigation ability. Then, we fine-tuned LVLMs to predict the next action with CoT explanations. We observe that LVLM's navigation ability can be improved substantially with only BFS-generated shortest paths without any human supervision, surpassing GPT-4o by over 20% in success rates.

cs.CV

Cognitive Kernel: An Open-source Agent System towards Generalist Autopilots

We introduce Cognitive Kernel, an open-source agent system towards the goal of generalist autopilots. Unlike copilot systems, which primarily rely on users to provide essential state information (e.g., task descriptions) and assist users by answering questions or auto-completing contents, autopilot systems must complete tasks from start to finish independently, which requires the system to acquire the state information from the environments actively. To achieve this, an autopilot system should be capable of understanding user intents, actively gathering necessary information from various real-world sources, and making wise decisions. Cognitive Kernel adopts a model-centric design. In our implementation, the central policy model (a fine-tuned LLM) initiates interactions with the environment using a combination of atomic actions, such as opening files, clicking buttons, saving intermediate results to memory, or calling the LLM itself. This differs from the widely used environment-centric design, where a task-specific environment with predefined actions is fixed, and the policy model is limited to selecting the correct action from a given set of options. Our design facilitates seamless information flow across various sources and provides greater flexibility. We evaluate our system in three use cases: real-time information management, private information management, and long-term memory management. The results demonstrate that Cognitive Kernel achieves better or comparable performance to other closed-source systems in these scenarios. Cognitive Kernel is fully dockerized, ensuring everyone can deploy it privately and securely. We open-source the system and the backbone model to encourage further research on LLM-driven autopilot systems.

cs.AI

Abstraction-of-Thought Makes Language Models Better Reasoners

Abstract reasoning, the ability to reason from the abstract essence of a problem, serves as a key to generalization in human reasoning. However, eliciting language models to perform reasoning with abstraction remains unexplored. This paper seeks to bridge this gap by introducing a novel structured reasoning format called Abstraction-of-Thought (AoT). The uniqueness of AoT lies in its explicit requirement for varying levels of abstraction within the reasoning process. This approach could elicit language models to first contemplate on the abstract level before incorporating concrete details, which is overlooked by the prevailing step-by-step Chain-of-Thought (CoT) method. To align models with the AoT format, we present AoT Collection, a generic finetuning dataset consisting of 348k high-quality samples with AoT reasoning processes, collected via an automated and scalable pipeline. We finetune a wide range of language models with AoT Collection and conduct extensive evaluations on 23 unseen tasks from the challenging benchmark Big-Bench Hard. Experimental results indicate that models aligned to AoT reasoning format substantially outperform those aligned to CoT in many reasoning tasks.

cs.CL

From Language Modeling to Instruction Following: Understanding the Behavior Shift in LLMs after Instruction Tuning

Large Language Models (LLMs) have achieved remarkable success, where instruction tuning is the critical step in aligning LLMs with user intentions. In this work, we investigate how the instruction tuning adjusts pre-trained models with a focus on intrinsic changes. Specifically, we first develop several local and global explanation methods, including a gradient-based method for input-output attribution, and techniques for interpreting patterns and concepts in self-attention and feed-forward layers. The impact of instruction tuning is then studied by comparing the explanations derived from the pre-trained and instruction-tuned models. This approach provides an internal perspective of the model shifts on a human-comprehensible level. Our findings reveal three significant impacts of instruction tuning: 1) It empowers LLMs to recognize the instruction parts of user prompts, and promotes the response generation constantly conditioned on the instructions. 2) It encourages the self-attention heads to capture more word-word relationships about instruction verbs. 3) It encourages the feed-forward networks to rotate their pre-trained knowledge toward user-oriented tasks. These insights contribute to a more comprehensive understanding of instruction tuning and lay the groundwork for future work that aims at explaining and optimizing LLMs for various applications. Our code and data are publicly available at https://github.com/JacksonWuxs/Interpret_Instruction_Tuning_LLMs.

cs.CL

Fact-and-Reflection (FaR) Improves Confidence Calibration of Large Language Models

For a LLM to be trustworthy, its confidence level should be well-calibrated with its actual performance. While it is now common sense that LLM performances are greatly impacted by prompts, the confidence calibration in prompting LLMs has yet to be thoroughly explored. In this paper, we explore how different prompting strategies influence LLM confidence calibration and how it could be improved. We conduct extensive experiments on six prompting methods in the question-answering context and we observe that, while these methods help improve the expected LLM calibration, they also trigger LLMs to be over-confident when responding to some instances. Inspired by human cognition, we propose Fact-and-Reflection (FaR) prompting, which improves the LLM calibration in two steps. First, FaR elicits the known "facts" that are relevant to the input prompt from the LLM. And then it asks the model to "reflect" over them to generate the final answer. Experiments show that FaR prompting achieves significantly better calibration; it lowers the Expected Calibration Error by 23.5% on our multi-purpose QA tasks. Notably, FaR prompting even elicits the capability of verbally expressing concerns in less confident scenarios, which helps trigger retrieval augmentation for solving these harder instances.

cs.CL

LASER: LLM Agent with State-Space Exploration for Web Navigation

Large language models (LLMs) have been successfully adapted for interactive decision-making tasks like web navigation. While achieving decent performance, previous methods implicitly assume a forward-only execution mode for the model, where they only provide oracle trajectories as in-context examples to guide the model on how to reason in the environment. Consequently, the model could not handle more challenging scenarios not covered in the in-context examples, e.g., mistakes, leading to sub-optimal performance. To address this issue, we propose to model the interactive task as state space exploration, where the LLM agent transitions among a pre-defined set of states by performing actions to complete the task. This formulation enables flexible backtracking, allowing the model to recover from errors easily. We evaluate our proposed LLM Agent with State-Space ExploRation (LASER) on both the WebShop task and amazon.com. Experimental results show that LASER significantly outperforms previous methods and closes the gap with human performance on the web navigation task.

cs.CL

Rewards-in-Context: Multi-objective Alignment of Foundation Models with Dynamic Preference Adjustment

We consider the problem of multi-objective alignment of foundation models with human preferences, which is a critical step towards helpful and harmless AI systems. However, it is generally costly and unstable to fine-tune large foundation models using reinforcement learning (RL), and the multi-dimensionality, heterogeneity, and conflicting nature of human preferences further complicate the alignment process. In this paper, we introduce Rewards-in-Context (RiC), which conditions the response of a foundation model on multiple rewards in its prompt context and applies supervised fine-tuning for alignment. The salient features of RiC are simplicity and adaptivity, as it only requires supervised fine-tuning of a single foundation model and supports dynamic adjustment for user preferences during inference time. Inspired by the analytical solution of an abstracted convex optimization problem, our dynamic inference-time adjustment method approaches the Pareto-optimal solution for multiple objectives. Empirical evidence demonstrates the efficacy of our method in aligning both Large Language Models (LLMs) and diffusion models to accommodate diverse rewards with only around 10% GPU hours compared with multi-objective RL baseline.

cs.LG

Zebra: Extending Context Window with Layerwise Grouped Local-Global Attention

This paper introduces a novel approach to enhance the capabilities of Large Language Models (LLMs) in processing and understanding extensive text sequences, a critical aspect in applications requiring deep comprehension and synthesis of large volumes of information. Recognizing the inherent challenges in extending the context window for LLMs, primarily built on Transformer architecture, we propose a new model architecture, referred to as Zebra. This architecture efficiently manages the quadratic time and memory complexity issues associated with full attention in the Transformer by employing grouped local-global attention layers. Our model, akin to a zebra's alternating stripes, balances local and global attention layers, significantly reducing computational requirements and memory consumption. Comprehensive experiments, including pretraining from scratch, continuation of long context adaptation training, and long instruction tuning, are conducted to evaluate the Zebra's performance. The results show that Zebra achieves comparable or superior performance on both short and long sequence benchmarks, while also enhancing training and inference efficiency.

cs.CL

Chain-of-Note: Enhancing Robustness in Retrieval-Augmented Language Models

Retrieval-augmented language models (RALMs) represent a substantial advancement in the capabilities of large language models, notably in reducing factual hallucination by leveraging external knowledge sources. However, the reliability of the retrieved information is not always guaranteed. The retrieval of irrelevant data can lead to misguided responses, and potentially causing the model to overlook its inherent knowledge, even when it possesses adequate information to address the query. Moreover, standard RALMs often struggle to assess whether they possess adequate knowledge, both intrinsic and retrieved, to provide an accurate answer. In situations where knowledge is lacking, these systems should ideally respond with "unknown" when the answer is unattainable. In response to these challenges, we introduces Chain-of-Noting (CoN), a novel approach aimed at improving the robustness of RALMs in facing noisy, irrelevant documents and in handling unknown scenarios. The core idea of CoN is to generate sequential reading notes for retrieved documents, enabling a thorough evaluation of their relevance to the given question and integrating this information to formulate the final answer. We employed ChatGPT to create training data for CoN, which was subsequently trained on an LLaMa-2 7B model. Our experiments across four open-domain QA benchmarks show that RALMs equipped with CoN significantly outperform standard RALMs. Notably, CoN achieves an average improvement of +7.9 in EM score given entirely noisy retrieved documents and +10.5 in rejection rates for real-time questions that fall outside the pre-training knowledge scope.

cs.CL

Skills-in-Context Prompting: Unlocking Compositionality in Large Language Models

We investigate how to elicit compositional generalization capabilities in large language models (LLMs). Compositional generalization empowers LLMs to solve complex problems by combining foundational skills, a critical reasoning ability akin to human intelligence. However, even the most advanced LLMs currently struggle with this form of reasoning. We examine this problem within the framework of in-context learning and find that demonstrating both foundational skills and compositional examples grounded in these skills within the same prompt context is crucial. We refer to this prompt structure as skills-in-context (SKiC). With as few as two exemplars, this in-context learning structure enables LLMs to tackle more challenging problems requiring innovative skill combinations, achieving near-perfect systematic generalization across a broad range of tasks. Intriguingly, SKiC also unlocks the latent potential of LLMs, allowing them to more actively utilize pre-existing internal skills acquired during earlier pretraining stages to solve complex reasoning problems. The SKiC structure is robust across different skill constructions and exemplar choices and demonstrates strong transferability to new tasks. Finally, inspired by our in-context learning study, we show that fine-tuning LLMs with SKiC-style data can elicit zero-shot weak-to-strong generalization, enabling the models to solve much harder problems directly with standard prompting.

cs.CL

Thrust: Adaptively Propels Large Language Models with External Knowledge

Although large-scale pre-trained language models (PTLMs) are shown to encode rich knowledge in their model parameters, the inherent knowledge in PTLMs can be opaque or static, making external knowledge necessary. However, the existing information retrieval techniques could be costly and may even introduce noisy and sometimes misleading knowledge. To address these challenges, we propose the instance-level adaptive propulsion of external knowledge (IAPEK), where we only conduct the retrieval when necessary. To achieve this goal, we propose measuring whether a PTLM contains enough knowledge to solve an instance with a novel metric, Thrust, which leverages the representation distribution of a small number of seen instances. Extensive experiments demonstrate that thrust is a good measurement of PTLM models' instance-level knowledgeability. Moreover, we can achieve significantly higher cost-efficiency with the Thrust score as the retrieval indicator than the naive usage of external knowledge on 88% of the evaluated tasks with 26% average performance improvement. Such findings shed light on the real-world practice of knowledge-enhanced LMs with a limited knowledge-seeking budget due to computation latency or costs.

cs.CL