arXiv subjects

Xiaotian Han

Publications and source records attributed to Xiaotian Han.

At least 37 records · Page 2Linked to original sources

arXiv2025

InfiGUI-G1: Advancing GUI Grounding with Adaptive Exploration Policy Optimization

The emergence of Multimodal Large Language Models (MLLMs) has propelled the development of autonomous agents that operate on Graphical User Interfaces (GUIs) using pure visual input. A fundamental challenge is robustly grounding natural language instructions. This requires a precise spatial alignment, which accurately locates the coordinates of each element, and, more critically, a correct semantic alignment, which matches the instructions to the functionally appropriate UI element. Although Reinforcement Learning with Verifiable Rewards (RLVR) has proven to be effective at improving spatial alignment for these MLLMs, we find that inefficient exploration bottlenecks semantic alignment, which prevent models from learning difficult semantic associations. To address this exploration problem, we present Adaptive Exploration Policy Optimization (AEPO), a new policy optimization framework. AEPO employs a multi-answer generation strategy to enforce broader exploration, which is then guided by a theoretically grounded Adaptive Exploration Reward (AER) function derived from first principles of efficiency eta=U/C. Our AEPO-trained models, InfiGUI-G1-3B and InfiGUI-G1-7B, establish new state-of-the-art results across multiple challenging GUI grounding benchmarks, achieving significant relative improvements of up to 9.0% against the naive RLVR baseline on benchmarks designed to test generalization and semantic understanding. Resources are available at https://github.com/InfiXAI/InfiGUI-G1.

cs.AI↗

arXiv2025

When Truthful Representations Flip Under Deceptive Instructions?

Large language models (LLMs) tend to follow maliciously crafted instructions to generate deceptive responses, posing safety challenges. How deceptive instructions alter the internal representations of LLM compared to truthful ones remains poorly understood beyond output analysis. To bridge this gap, we investigate when and how these representations ``flip'', such as from truthful to deceptive, under deceptive versus truthful/neutral instructions. Analyzing the internal representations of Llama-3.1-8B-Instruct and Gemma-2-9B-Instruct on a factual verification task, we find the model's instructed True/False output is predictable via linear probes across all conditions based on the internal representation. Further, we use Sparse Autoencoders (SAEs) to show that the Deceptive instructions induce significant representational shifts compared to Truthful/Neutral representations (which are similar), concentrated in early-to-mid layers and detectable even on complex datasets. We also identify specific SAE features highly sensitive to deceptive instruction and use targeted visualizations to confirm distinct truthful/deceptive representational subspaces. % Our analysis pinpoints layer-wise and feature-level correlates of instructed dishonesty, offering insights for LLM detection and control. Our findings expose feature- and layer-level signatures of deception, offering new insights for detecting and mitigating instructed dishonesty in LLMs.

cs.AI↗

arXiv2025

CausalRAG: Integrating Causal Graphs into Retrieval-Augmented Generation

Large language models (LLMs) have revolutionized natural language processing (NLP), particularly through Retrieval-Augmented Generation (RAG), which enhances LLM capabilities by integrating external knowledge. However, traditional RAG systems face critical limitations, including disrupted contextual integrity due to text chunking, and over-reliance on semantic similarity for retrieval. To address these issues, we propose CausalRAG, a novel framework that incorporates causal graphs into the retrieval process. By constructing and tracing causal relationships, CausalRAG preserves contextual continuity and improves retrieval precision, leading to more accurate and interpretable responses. We evaluate CausalRAG against regular RAG and graph-based RAG approaches, demonstrating its superiority across several metrics. Our findings suggest that grounding retrieval in causal reasoning provides a promising approach to knowledge-intensive tasks.

cs.CL↗

arXiv2025

All You Need is One: Capsule Prompt Tuning with a Single Vector

Prompt-based learning has emerged as a parameter-efficient finetuning (PEFT) approach to facilitate Large Language Model (LLM) adaptation to downstream tasks by conditioning generation with task-aware guidance. Despite its successes, current prompt-based learning methods heavily rely on laborious grid searching for optimal prompt length and typically require considerable number of prompts, introducing additional computational burden. Worse yet, our pioneer findings indicate that the task-aware prompt design is inherently limited by its absence of instance-aware information, leading to a subtle attention interplay with the input sequence. In contrast, simply incorporating instance-aware information as a part of the guidance can enhance the prompt-tuned model performance without additional fine-tuning. Moreover, we find an interesting phenomenon, namely "attention anchor", that incorporating instance-aware tokens at the earliest position of the sequence can successfully preserve strong attention to critical structural information and exhibit more active attention interaction with all input tokens. In light of our observation, we introduce Capsule Prompt-Tuning (CaPT), an efficient and effective solution that leverages off-the-shelf, informative instance semantics into prompt-based learning. Our approach innovatively integrates both instance-aware and task-aware information in a nearly parameter-free manner (i.e., one single capsule prompt). Empirical results demonstrate that our method can exhibit superior performance across various language tasks (e.g., 84.03\% average accuracy on T5-Large), serving as an "attention anchor," while enjoying high parameter efficiency (e.g., 0.003\% of model parameters on Llama3.2-1B).

cs.CL↗

arXiv2025

Quantize What Counts: More for Keys, Less for Values

Large Language Models (LLMs) suffer inference-time memory bottlenecks dominated by the attention Key-Value (KV) cache, which scales with model size and context length. While KV-cache quantization alleviates this cost, bit allocation between keys and values is often tuned heuristically, lacking theoretical grounding and generalizability. This paper proposes two theorems that anchor mixed-precision KV quantization in the intrinsic geometry of Transformer models. First, key projections systematically have larger spectral and Frobenius norms than value matrices, implying higher information density along the key path. Second, for any given memory budget, prioritizing precision for keys over values strictly reduces quantization error and better preserves accuracy. Empirical evaluations across various prominent LLMs and benchmarks show that key-favored allocations (e.g., 4-bit keys, 2-bit values) retain up to 98.3\% accuracy compared to uniform allocations (e.g., 4-bit for both), while conserving memory. These results transform bit allocation from ad hoc tuning into a theoretically grounded, geometry-driven design principle for efficient LLM inference. Source code is available at https://github.com/mohsenhariri/spectral-kv.

cs.LG↗

arXiv2025

MEPT: Mixture of Expert Prompt Tuning as a Manifold Mapper

Considering deep neural networks as manifold mappers, the pretrain-then-fine-tune paradigm can be interpreted as a two-stage process: pretrain establishes a broad knowledge base, and fine-tune adjusts the model parameters to activate specific neural pathways to align with the target manifold. Although prior fine-tuning approaches demonstrate success, their rigid parameter space limits their ability to dynamically activate appropriate neural pathways, rendering them ill-equipped to adapt flexibly to the diverse and evolving data distributions. In light of this view, we propose a novel approach, Mixture of Expert Prompt Tuning (MEPT), as an effective and efficient manifold-mapping framework. MEPT leverages the Mixture of Experts architecture by integrating multiple prompt experts to adaptively learn diverse and non-stationary data distributions. Empirical evaluations demonstrate that MEPT outperforms several state-of-the-art parameter efficient baselines on SuperGLUE, achieving notable improvements in mean accuracy (e.g., 1.94%) while significantly reducing activated prompts by 79.25%. The effectiveness of MEPT is further supported by theoretical insights from manifold learning and validated through neural activation pathway visualization results. Our code is avaliable at https://runjia.tech/emnlp_mept/.

cs.LG↗

arXiv2025

Pruning Weights but Not Truth: Safeguarding Truthfulness While Pruning LLMs

Neural network pruning has emerged as a promising approach for deploying LLMs in low-resource scenarios while preserving downstream task performance. However, for the first time, we reveal that such pruning disrupts LLMs' internal activation features crucial for lie detection, where probing classifiers (typically small logistic regression models) trained on these features assess the truthfulness of LLM-generated statements. This discovery raises a crucial open question: how can we prune LLMs without sacrificing these critical lie detection capabilities? Our investigation further reveals that naively adjusting layer-wise pruning sparsity based on importance inadvertently removes crucial weights, failing to improve lie detection performance despite its reliance on the most crucial LLM layer. To address this issue, we propose Truthful Pruning aligned by Layer-wise Outliers (TPLO), which places greater emphasis on layers with more activation outliers and stronger discriminative features simultaneously. This preserves LLMs' original performance while retaining critical features of inner states needed for robust lie detection. Moreover, we introduce a prompting rule to enrich the TruthfulQA benchmark for better calibrating LLM pruning. Empirical results show that our approach improves the hallucination detection for pruned LLMs (achieving 88% accuracy at 50% sparsity) and enhances their performance on TruthfulQA.

cs.LG↗

arXiv2025

Quantized but Deceptive? A Multi-Dimensional Truthfulness Evaluation of Quantized LLMs

Quantization enables efficient deployment of large language models (LLMs) in resource-constrained environments by significantly reducing memory and computation costs. While quantized LLMs often maintain performance on perplexity and zero-shot tasks, their impact on truthfulness-whether generating truthful or deceptive responses-remains largely unexplored. In this work, we introduce TruthfulnessEval, a comprehensive evaluation framework for assessing the truthfulness of quantized LLMs across three dimensions: (1) Truthfulness on Logical Reasoning; (2) Truthfulness on Common Sense; and (3) Truthfulness on Imitative Falsehoods. Using this framework, we examine mainstream quantization techniques (ranging from 4-bit to extreme 2-bit) across several open-source LLMs. Surprisingly, we find that while quantized models retain internally truthful representations, they are more susceptible to producing false outputs under misleading prompts. To probe this vulnerability, we test 15 rephrased variants of "honest", "neutral" and "deceptive" prompts and observe that "deceptive" prompts can override truth-consistent behavior, whereas "honest" and "neutral" prompts maintain stable outputs. Further, we reveal that quantized models "know" the truth internally yet still produce false outputs when guided by "deceptive" prompts via layer-wise probing and PCA visualizations. Our findings provide insights into future designs of quantization-aware alignment and truthfulness interventions.

cs.AI↗

arXiv2025

Grammars of Formal Uncertainty: When to Trust LLMs in Automated Reasoning Tasks

Large language models (LLMs) show remarkable promise for democratizing automated reasoning by generating formal specifications. However, a fundamental tension exists: LLMs are probabilistic, while formal verification demands deterministic guarantees. This paper addresses this epistemological gap by comprehensively investigating failure modes and uncertainty quantification (UQ) in LLM-generated formal artifacts. Our systematic evaluation of five frontier LLMs reveals Satisfiability Modulo Theories (SMT) based autoformalization's domain-specific impact on accuracy (from +34.8% on logical tasks to -44.5% on factual ones), with known UQ techniques like the entropy of token probabilities failing to identify these errors. We introduce a probabilistic context-free grammar (PCFG) framework to model LLM outputs, yielding a refined uncertainty taxonomy. We find uncertainty signals are task-dependent (e.g., grammar entropy for logic, AUROC>0.93). Finally, a lightweight fusion of these signals enables selective verification, drastically reducing errors (14-100%) with minimal abstention, transforming LLM-driven formalization into a reliable engineering discipline.

cs.CL↗

arXiv2025

SELF: Self-Extend the Context Length With Logistic Growth Function

Large language models suffer issues when operated on long contexts that are larger than their training context length due to the standard position encoding for tokens in the attention layer. Tokens a long distance apart will rarely have an effect on each other and long prompts yield unexpected results. To solve this problem, we propose SELF (Self-Extend the Context Length With Logistic Growth Function): a solution of grouping consecutive tokens at varying group sizes using a logistic capacity equation combined with a constant group size at smaller relative distances. Our model had an increase in performance of up to 12% compared to the LongLM extension method in LEval (specifically on the Qwen model). On summarization related tasks in LongBench, our model performed up to 6.4% better than LongLM (specifically on the Llama-2-7b model). On reading comprehension tasks from LEval, our model performed up to 5.4% better than the LongLM. Our code is available at https://github.com/alexeipc/SELF-LLM.

cs.CL↗

arXiv2025

InfiGUI-R1: Advancing Multimodal GUI Agents from Reactive Actors to Deliberative Reasoners

Multimodal Large Language Models (MLLMs) have powered Graphical User Interface (GUI) Agents, showing promise in automating tasks on computing devices. Recent works have begun exploring reasoning in GUI tasks with encouraging results. However, many current approaches rely on manually designed reasoning templates, which may result in reasoning that is not sufficiently robust and adaptive for complex GUI environments. Meanwhile, some existing agents continue to operate as Reactive Actors, relying primarily on implicit reasoning that may lack sufficient depth for GUI tasks demanding planning and error recovery. We argue that advancing these agents requires a shift from reactive acting towards acting based on deliberate reasoning. To facilitate this transformation, we introduce InfiGUI-R1, an MLLM-based GUI agent developed through our Actor2Reasoner framework, a reasoning-centric, two-stage training approach designed to progressively evolve agents from Reactive Actors to Deliberative Reasoners. The first stage, Reasoning Injection, focuses on establishing a basic reasoner. We employ Spatial Reasoning Distillation to transfer cross-modal spatial reasoning capabilities from teacher models to MLLMs through trajectories with explicit reasoning steps, enabling models to integrate GUI visual-spatial information with logical reasoning before action generation. The second stage, Deliberation Enhancement, refines the basic reasoner into a deliberative one using Reinforcement Learning. This stage introduces two approaches: Sub-goal Guidance, which rewards models for generating accurate intermediate sub-goals, and Error Recovery Scenario Construction, which creates failure-and-recovery training scenarios from identified prone-to-error steps. Experimental results show InfiGUI-R1 achieves strong performance in GUI grounding and trajectory tasks. Resources at https://github.com/Reallm-Labs/InfiGUI-R1.

cs.AI↗

arXiv2025

You Only Debias Once: Towards Flexible Accuracy-Fairness Trade-offs at Inference Time

Deep neural networks are prone to various bias issues, jeopardizing their applications for high-stake decision-making. Existing fairness methods typically offer a fixed accuracy-fairness trade-off, since the weight of the well-trained model is a fixed point (fairness-optimum) in the weight space. Nevertheless, more flexible accuracy-fairness trade-offs at inference time are practically desired since: 1) stakes of the same downstream task can vary for different individuals, and 2) different regions have diverse laws or regularization for fairness. If using the previous fairness methods, we have to train multiple models, each offering a specific level of accuracy-fairness trade-off. This is often computationally expensive, time-consuming, and difficult to deploy, making it less practical for real-world applications. To address this problem, we propose You Only Debias Once (YODO) to achieve in-situ flexible accuracy-fairness trade-offs at inference time, using a single model that trained only once. Instead of pursuing one individual fixed point (fairness-optimum) in the weight space, we aim to find a "line" in the weight space that connects the accuracy-optimum and fairness-optimum points using a single model. Points (models) on this line implement varying levels of accuracy-fairness trade-offs. At inference time, by manually selecting the specific position of the learned "line", our proposed method can achieve arbitrary accuracy-fairness trade-offs for different end-users and scenarios. Experimental results on tabular and image datasets show that YODO achieves flexible trade-offs between model accuracy and fairness, at ultra-low overheads. For example, if we need $100$ levels of trade-off on the \acse dataset, YODO takes $3.53$ seconds while training $100$ fixed models consumes $425$ seconds. The code is available at https://github.com/ahxt/yodo.

cs.LG↗

arXiv2025

InfiR : Crafting Effective Small Language Models and Multimodal Small Language Models in Reasoning

Large Language Models (LLMs) and Multimodal Large Language Models (MLLMs) have made significant advancements in reasoning capabilities. However, they still face challenges such as high computational demands and privacy concerns. This paper focuses on developing efficient Small Language Models (SLMs) and Multimodal Small Language Models (MSLMs) that retain competitive reasoning abilities. We introduce a novel training pipeline that enhances reasoning capabilities and facilitates deployment on edge devices, achieving state-of-the-art performance while minimizing development costs. \InfR~ aims to advance AI systems by improving reasoning, reducing adoption barriers, and addressing privacy concerns through smaller model sizes. Resources are available at https://github. com/Reallm-Labs/InfiR.

cs.CL↗

arXiv2025

Thinking Preference Optimization

Supervised Fine-Tuning (SFT) has been a go-to and effective method for enhancing long chain-of-thought (CoT) reasoning in relatively small LLMs by fine-tuning them with long CoT responses from larger LLMs. To continually improve reasoning abilities, we can either collect new high-quality long CoT reasoning SFT data or repeatedly train on existing SFT datasets. However, acquiring new long CoT SFT data is costly and limited, while repeated training often results in a performance plateau or decline. To further boost the performance with the SFT data, we propose Thinking Preference Optimization (ThinkPO), a simple yet effective post-SFT method that enhances long CoT reasoning without requiring new long CoT responses. Instead, ThinkPO utilizes readily available or easily obtainable short CoT reasoning responses as rejected answers and long CoT responses as chosen answers for the same question. It then applies direct preference optimization to encourage the model to favor longer reasoning outputs. Experiments show that ThinkPO further improves the reasoning performance of SFT-ed models, e.g. it increases math reasoning accuracy of SFT-ed models by 8.6% and output length by 25.9%. Notably, ThinkPO is capable of continually boosting the performance of the publicly distilled SFT model, e.g., increasing the official DeepSeek-R1-Distill-Qwen-7B's performance on MATH500 from 87.4% to 91.2%.

cs.LG↗

arXiv2025

InfiGUIAgent: A Multimodal Generalist GUI Agent with Native Reasoning and Reflection

Graphical User Interface (GUI) Agents, powered by multimodal large language models (MLLMs), have shown great potential for task automation on computing devices such as computers and mobile phones. However, existing agents face challenges in multi-step reasoning and reliance on textual annotations, limiting their effectiveness. We introduce \textit{InfiGUIAgent}, an MLLM-based GUI Agent trained with a two-stage supervised fine-tuning pipeline. Stage 1 enhances fundamental skills such as GUI understanding and grounding, while Stage 2 integrates hierarchical reasoning and expectation-reflection reasoning skills using synthesized data to enable native reasoning abilities of the agents. \textit{InfiGUIAgent} achieves competitive performance on several GUI benchmarks, highlighting the impact of native reasoning skills in enhancing GUI interaction for automation tasks. Resources are available at \url{https://github.com/Reallm-Labs/InfiGUIAgent}.

cs.AI↗

arXiv2024

NeuralPLexer3: Accurate Biomolecular Complex Structure Prediction with Flow Models

Structure determination is essential to a mechanistic understanding of diseases and the development of novel therapeutics. Machine-learning-based structure prediction methods have made significant advancements by computationally predicting protein and bioassembly structures from sequences and molecular topology alone. Despite substantial progress in the field, challenges remain to deliver structure prediction models to real-world drug discovery. Here, we present NeuralPLexer3 -- a physics-inspired flow-based generative model that achieves state-of-the-art prediction accuracy on key biomolecular interaction types and improves training and sampling efficiency compared to its predecessors and alternative methodologies. Examined through newly developed benchmarking strategies, NeuralPLexer3 excels in vital areas that are crucial to structure-based drug design, such as physical validity and ligand-induced conformational changes.

cs.LG↗

arXiv2024

Dynamic Self-Distillation via Previous Mini-batches for Fine-tuning Small Language Models

Knowledge distillation (KD) has become a widely adopted approach for compressing large language models (LLMs) to reduce computational costs and memory footprints. However, the availability of complex teacher models is a prerequisite for running most KD pipelines. Thus, the traditional KD procedure can be unachievable or budget-unfriendly, particularly when relying on commercial LLMs like GPT4. In this regard, Self-distillation (SelfD) emerges as an advisable alternative, enabling student models to learn without teachers' guidance. Nonetheless, existing SelfD approaches for LMs often involve architectural modifications, assuming the models are open-source, which may not always be practical. In this work, we introduce a model-agnostic and task-agnostic method named dynamic SelfD from the previous minibatch (DynSDPB), which realizes current iterations' distillation from the last ones' generated logits. Additionally, to address prediction inaccuracies during the early iterations, we dynamically adjust the distillation influence and temperature values to enhance the adaptability of fine-tuning. Furthermore, DynSDPB is a novel fine-tuning policy that facilitates the seamless integration of existing self-correction and self-training techniques for small language models (SLMs) because they all require updating SLMs' parameters. We demonstrate the superior performance of DynSDPB on both encoder-only LMs (e.g., BERT model families) and decoder-only LMs (e.g., LLaMA model families), validating its effectiveness across natural language understanding (NLU) and natural language generation (NLG) benchmarks.

cs.CL↗

arXiv2024

Visual Anchors Are Strong Information Aggregators For Multimodal Large Language Model

In the realm of Multimodal Large Language Models (MLLMs), vision-language connector plays a crucial role to link the pre-trained vision encoders with Large Language Models (LLMs). Despite its importance, the vision-language connector has been relatively less explored. In this study, we aim to propose a strong vision-language connector that enables MLLMs to achieve high accuracy while maintain low computation cost. We first reveal the existence of the visual anchors in Vision Transformer and propose a cost-effective search algorithm to extract them. Building on these findings, we introduce the Anchor Former (AcFormer), a novel vision-language connector designed to leverage the rich prior knowledge obtained from these visual anchors during pretraining, guiding the aggregation of information. Through extensive experimentation, we demonstrate that the proposed method significantly reduces computational costs by nearly two-thirds compared with baseline, while simultaneously outperforming baseline methods. This highlights the effectiveness and efficiency of AcFormer. Codes are available at https://github.com/liuhaogeng/Anchor-Former.

cs.CV↗