Junxian Li

Junxian Li, Di Zhang, Xunzhi Wang et al. · mit

Large Language Models (LLMs) have achieved remarkable success and have been applied across various scientific fields, including chemistry. However, many chemical tasks require the processing of visual information, which cannot be successfully handled by existing chemical LLMs. This brings a growing need for models capable of integrating multimodal information in the chemical domain. In this paper, we introduce \textbf{ChemVLM}, an open-source chemical multimodal large language model specifically designed for chemical applications. ChemVLM is trained on a carefully curated bilingual multimodal dataset that enhances its ability to understand both textual and visual chemical information, including molecular structures, reactions, and chemistry examination questions. We develop three datasets for comprehensive evaluation, tailored to Chemical Optical Character Recognition (OCR), Multimodal Chemical Reasoning (MMCR), and Multimodal Molecule Understanding tasks. We benchmark ChemVLM against a range of open-source and proprietary multimodal large language models on various tasks. Experimental results demonstrate that ChemVLM achieves competitive performance across all evaluated tasks. Our model can be found at https://huggingface.co/AI4Chem/ChemVLM-26B.

Zonglin Yang, Xinya Du, Junxian Li et al.

Hypothetical induction is recognized as the main reasoning type when scientists make observations about the world and try to propose hypotheses to explain those observations. Past research on hypothetical induction is under a constrained setting: (1) the observation annotations in the dataset are carefully manually handpicked sentences (resulting in a close-domain setting); and (2) the ground truth hypotheses are mostly commonsense knowledge, making the task less challenging. In this work, we tackle these problems by proposing the first dataset for social science academic hypotheses discovery, with the final goal to create systems that automatically generate valid, novel, and helpful scientific hypotheses, given only a pile of raw web corpus. Unlike previous settings, the new dataset requires (1) using open-domain data (raw web corpus) as observations; and (2) proposing hypotheses even new to humanity. A multi-module framework is developed for the task, including three different feedback mechanisms to boost performance, which exhibits superior performance in terms of both GPT-4 based and expert-based evaluation. To the best of our knowledge, this is the first work showing that LLMs are able to generate novel (''not existing in literature'') and valid (''reflecting reality'') scientific hypotheses.

Haobo Zhang, Zhenhua Xu, Junxian Li et al.

Protecting the intellectual property of open-weight large language models (LLMs) requires verifying whether a suspect model is derived from a victim model despite common laundering operations such as fine-tuning (including PPO/DPO), pruning/compression, and model merging. We propose \textsc{AttnDiff}, a data-efficient white-box framework that extracts fingerprints from models via intrinsic information-routing behavior. \textsc{AttnDiff} probes minimally edited prompt pairs that induce controlled semantic conflicts, captures differential attention patterns, summarizes them with compact spectral descriptors, and compares models using CKA. Across Llama-2/3 and Qwen2.5 (3B--14B) and additional open-source families, it yields high similarity for related derivatives while separating unrelated model families (e.g., $>0.98$ vs.\ $<0.22$ with $M=60$ probes). With 5--60 multi-domain probes, it supports practical provenance verification and accountability.

Hao Mei, Junxian Li, Bin Shi et al.

The emergence of reinforcement learning (RL) methods in traffic signal control tasks has achieved better performance than conventional rule-based approaches. Most RL approaches require the observation of the environment for the agent to decide which action is optimal for a long-term reward. However, in real-world urban scenarios, missing observation of traffic states may frequently occur due to the lack of sensors, which makes existing RL methods inapplicable on road networks with missing observation. In this work, we aim to control the traffic signals in a real-world setting, where some of the intersections in the road network are not installed with sensors and thus with no direct observations around them. To the best of our knowledge, we are the first to use RL methods to tackle the traffic signal control problem in this real-world setting. Specifically, we propose two solutions: the first one imputes the traffic states to enable adaptive control, and the second one imputes both states and rewards to enable adaptive control and the training of RL agents. Through extensive experiments on both synthetic and real-world road network traffic, we reveal that our method outperforms conventional approaches and performs consistently with different missing rates. We also provide further investigations on how missing data influences the performance of our model.

Hao Mei, Junxian Li, Zhiming Liang et al.

Traffic prediction is a crucial topic because of its broad scope of applications in the transportation domain. Recently, various studies have achieved promising results. However, most studies assume the prediction locations have complete or at least partial historical records and cannot be extended to non-historical recorded locations. In real-life scenarios, the deployment of sensors could be limited due to budget limitations and installation availability, which makes most current models not applicable. Though few pieces of literature tried to impute traffic states at the missing locations, these methods need the data simultaneously observed at the locations with sensors, making them not applicable to prediction tasks. Another drawback is the lack of measurement of uncertainty in prediction, making prior works unsuitable for risk-sensitive tasks or involving decision-making. To fill the gap, inspired by the previous inductive graph neural network, this work proposed an uncertainty-aware framework with the ability to 1) extend prediction to missing locations with no historical records and significantly extend spatial coverage of prediction locations while reducing deployment of sensors and 2) generate probabilistic prediction with uncertainty quantification to help the management of risk and decision making in the down-stream tasks. Through extensive experiments on real-life datasets, the result shows our method achieved promising results on prediction tasks, and the uncertainty quantification gives consistent results which highly correlated with the locations with and without historical data. We also show that our model could help support sensor deployment tasks in the transportation field to achieve higher accuracy with a limited sensor deployment budget.

Yongsen Cheng, Kai Liu, Kaiwen Tao et al.

Large-scale visual generative models have achieved remarkable performance. However, their high computational and memory costs make deployment challenging in resource-constrained scenarios, such as interactive applications and personal single-GPU usage. Post-training quantization (PTQ) offers a practical solution by compressing pretrained models without expensive retraining. However, existing PTQ methods still suffer from severe quality degradation under extremely low-bit settings. In this paper, we identify channel ordering as an important but underexplored factor in per-group quantization. In this setting, each contiguous group shares one quantization scale. When channels with very different statistics are placed in the same group, the scale can be dominated by outliers and cause large quantization errors. Based on this observation, we propose PermuQuant, a simple and effective PTQ framework for low-bit diffusion models. PermuQuant sorts channels by a joint second-moment criterion before per-group quantization, placing channels with similar activation and weight statistics into the same group. It further uses a calibration-based acceptance rule to apply reordering only when the selected permutation reduces quantization error on calibration data. The selected permutations are absorbed into adjacent modules or applied to weights offline, avoiding explicit runtime permutation operations. Extensive experiments on multiple large diffusion models show that PermuQuant consistently reduces quantization error and outperforms existing PTQ baselines. On FLUX.1-dev with an RTX 5090, PermuQuant achieves up to a 1.8$\times$ single step speedup and reduces the DiT memory footprint by 3.5$\times$ under W4A4 NVFP4 quantization. Code will be available at https://github.com/yscheng04/PermuQuant.

Junxian Li, Kai Liu, Leyang Chen et al.

Unified multimodal models (UMMs) have shown impressive capabilities in generating natural images and supporting multimodal reasoning. However, their potential in supporting computer-use planning tasks, which are closely related to our lives, remain underexplored. Image generation and editing in computer-use tasks require capabilities like spatial reasoning and procedural understanding, and it is still unknown whether UMMs have these capabilities to finish these tasks or not. Therefore, we propose PlanViz, a new benchmark designed to evaluate image generation and editing for computer-use tasks. To achieve the goal of our evaluation, we focus on sub-tasks which frequently involve in daily life and require planning steps. Specifically, three new sub-tasks are designed: route planning, work diagramming, and web&UI displaying. We address challenges in data quality ensuring by curating human-annotated questions and reference images, and a quality control process. For challenges of comprehensive and exact evaluation, a task-adaptive score, PlanScore, is proposed. The score helps understanding the correctness, visual quality and efficiency of generated images. Through experiments, we highlight key limitations and opportunities for future research on this topic.

Junxi Wang, Te Sun, Jiayi Zhu et al.

Vision agent memory has shown remarkable effectiveness in streaming video understanding. However, storing such memory for videos incurs substantial memory overhead, leading to high costs in both storage and computation. To address this issue, we propose StreamMeCo, an efficient Stream Agent Memory Compression framework. Specifically, based on the connectivity of the memory graph, StreamMeCo introduces edge-free minmax sampling for the isolated nodes and an edge-aware weight pruning for connected nodes, evicting the redundant memory nodes while maintaining the accuracy. In addition, we introduce a time-decay memory retrieval mechanism to further eliminate the performance degradation caused by memory compression. Extensive experiments on three challenging benchmark datasets (M3-Bench-robot, M3-Bench-web and Video-MME-Long) demonstrate that under 70% memory graph compression, StreamMeCo achieves a 1.87* speedup in memory retrieval while delivering an average accuracy improvement of 1.0%. Our code is available at https://github.com/Celina-love-sweet/StreamMeCo.

Jingdi Lei, Di Zhang, Junxian Li et al.

Large language models increasingly need to accumulate and reuse historical information in long-term assistants and agent systems. Simply expanding the context window is costly and often fails to ensure effective context utilization. We propose $δ$-mem, a lightweight memory mechanism that augments a frozen full-attention backbone with a compact online state of associative memory. $δ$-mem compresses past information into a fixed-size state matrix updated by delta-rule learning, and uses its readout to generate low-rank corrections to the backbone's attention computation during generation. With only an $8\times8$ online memory state, $δ$-mem improves the average score to $1.10\times$ that of the frozen backbone and $1.15\times$ that of the strongest non-$δ$-mem memory baseline. It achieves larger gains on memory-heavy benchmarks, reaching $1.31\times$ on MemoryAgentBench and $1.20\times$ on LoCoMo, while largely preserving general capabilities. These results show that effective memory can be realized through a compact online state directly coupled with attention computation, without full fine-tuning, backbone replacement, or explicit context extension.

Junxian Li, Kai Liu, Zizhong Ding et al.

The development of separate-encoder Unified multimodal models (UMMs) comes with a rapidly growing inference cost due to dense visual token processing. In this paper, we focus on understanding-side visual token reduction for improving the efficiency of separate-encoder UMMs. While this topic has been widely studied for MLLMs, existing methods typically rely on attention scores, text-image similarity and so on, implicitly assuming that the final objective is discriminative reasoning. This assumption does not hold for UMMs, where understanding-side visual tokens must also preserve the model's capabilities for editing images. We propose G$^2$TR, a generation-guided visual token reduction framework for separate-encoder UMMs. Our key insight is that the generation branch provides a task-agnostic signal for identifying understanding-side visual tokens that are not only semantically relevant but also important for latent-space image reconstruction and generation. G$^2$TR estimates token importance from consistency with VAE latent, performs balanced token selection, and merges redundant tokens into retained representatives to reduce information loss. The method is training-free, plug-and-play, and applied only after the understanding encoding stage, making it compatible with existing UMM inference pipelines. Experiments on image understanding and editing benchmarks show that G$^2$TR substantially reduces visual tokens and prefill computation by 1.94x while maintaining both reasoning accuracy and editing quality, outperforming baselines on almost all benchmarks.

Beining Xu, Siting Zhu, Zhao Jin et al.

3D Visual Grounding (3DVG) focuses on locating objects in 3D scenes based on natural language descriptions, serving as a fundamental task for embodied AI and robotics. Recent advances in Multi-modal Large Language Models (MLLMs) have motivated research into extending them to 3DVG. However, MLLMs primarily process 2D visual inputs and struggle with understanding 3D spatial structure of scenes solely from these limited perspectives. Existing methods mainly utilize viewpoint-dependent rendering of reconstructed point clouds to provide explicit structural guidance for MLLMs in 3DVG tasks, leading to inefficiency and limited spatial reasoning. To address this issue, we propose S$^2$-MLLM, an efficient framework that enhances spatial reasoning in MLLMs through implicit spatial reasoning. We introduce a spatial guidance strategy that leverages the structure awareness of feed-forward 3D reconstruction. By acquiring 3D structural understanding during training, our model can implicitly reason about 3D scenes without relying on inefficient point cloud reconstruction. Moreover, we propose a structure-enhanced module (SE), which first employs intra-view and inter-view attention mechanisms to capture dependencies within views and correspondences across views. The module further integrates multi-level position encoding to associate visual representations with spatial positions and viewpoint information, enabling more accurate structural understanding. Extensive experiments demonstrate that S$^2$-MLLM unifies superior performance, generalization, and efficiency, achieving significant performance over existing methods across the ScanRefer, Nr3D, and Sr3D datasets. Code will be available upon acceptance.

Haonan He, Yuchen Ren, Yining Tang et al.

Large language models (LLMs) have shown remarkable capabilities in general domains, but their application to multi-omics biology remains underexplored. To address this gap, we introduce Biology-Instructions, the first large-scale instruction-tuning dataset for multi-omics biological sequences, including DNA, RNA, proteins, and multi-molecules. This dataset bridges LLMs and complex biological sequence-related tasks, enhancing their versatility and reasoning while maintaining conversational fluency. We also highlight significant limitations of current state-of-the-art LLMs on multi-omics tasks without specialized training. To overcome this, we propose ChatMultiOmics, a strong baseline with a novel three-stage training pipeline, demonstrating superior biological understanding through Biology-Instructions. Both resources are publicly available, paving the way for better integration of LLMs in multi-omics analysis. The Biology-Instructions is publicly available at: https://github.com/hhnqqq/Biology-Instructions.

Yixin Tang, Jiawei Guo, Junxian Li et al.

Recently, diffusion-based object removal models have achieved impressive results in eliminating objects and their associated visual effects. However, they indiscriminately denoise all tokens across all timesteps, ignoring that removal usually involves small foreground regions. This strategy introduces substantial computational overhead and prolonged inference times. To overcome this computational burden, we propose a latent discriminator to implement Region-aware Adversarial Distillation (RAD), yielding a highly efficient few-step model named FlashClear. Furthermore, tailored to few-step diffusion models, we propose FPAC (Foreground-Prioritized Asymmetric Attention and Caching), a training-free acceleration strategy. Extensive experiments demonstrate that our framework provides massive acceleration while maintaining or exceeding the performance of our base model, ObjectClear. Notably, on the OBER benchmark, our FlashClear achieves up to 8.26$\times$ and 122$\times$ speedup over ObjectClear and OmniPaint, respectively, while maintaining high visual quality and fidelity.

Di Zhang, Junxian Li, Jingdi Lei et al.

Vision-language models (VLMs) have shown remarkable advancements in multimodal reasoning tasks. However, they still often generate inaccurate or irrelevant responses due to issues like hallucinated image understandings or unrefined reasoning paths. To address these challenges, we introduce Critic-V, a novel framework inspired by the Actor-Critic paradigm to boost the reasoning capability of VLMs. This framework decouples the reasoning process and critic process by integrating two independent components: the Reasoner, which generates reasoning paths based on visual and textual inputs, and the Critic, which provides constructive critique to refine these paths. In this approach, the Reasoner generates reasoning responses according to text prompts, which can evolve iteratively as a policy based on feedback from the Critic. This interaction process was theoretically driven by a reinforcement learning framework where the Critic offers natural language critiques instead of scalar rewards, enabling more nuanced feedback to boost the Reasoner's capability on complex reasoning tasks. The Critic model is trained using Direct Preference Optimization (DPO), leveraging a preference dataset of critiques ranked by Rule-based Reward~(RBR) to enhance its critic capabilities. Evaluation results show that the Critic-V framework significantly outperforms existing methods, including GPT-4V, on 5 out of 8 benchmarks, especially regarding reasoning accuracy and efficiency. Combining a dynamic text-based policy for the Reasoner and constructive feedback from the preference-optimized Critic enables a more reliable and context-sensitive multimodal reasoning process. Our approach provides a promising solution to enhance the reliability of VLMs, improving their performance in real-world reasoning-heavy multimodal applications such as autonomous driving and embodied intelligence.

Jiatong Li, Junxian Li, Weida Wang et al.

Recently, Large Language Models (LLMs) have shown great potential in natural language-driven molecule discovery. However, existing datasets and benchmarks for molecule-text alignment are predominantly built on a one-to-one mapping, measuring LLMs' ability to retrieve a single, pre-defined answer, rather than their creative potential to generate diverse, yet equally valid, molecular candidates. To address this critical gap, we propose Speak-to-Structure (S^2-Bench}), the first benchmark to evaluate LLMs in open-domain natural language-driven molecule generation. S^2-Bench is specifically designed for one-to-many relationships, challenging LLMs to demonstrate genuine molecular understanding and generation capabilities. Our benchmark includes three key tasks: molecule editing (MolEdit), molecule optimization (MolOpt), and customized molecule generation (MolCustom), each probing a different aspect of molecule discovery. We also introduce OpenMolIns, a large-scale instruction tuning dataset that enables Llama-3.1-8B to surpass the most powerful LLMs like GPT-4o and Claude-3.5 on S^2-Bench. Our comprehensive evaluation of 28 LLMs shifts the focus from simple pattern recall to realistic molecular design, paving the way for more capable LLMs in natural language-driven molecule discovery.

Junxian Li, Xinyue Xu, Sai Ma et al.

Unfaithfulness remains a persistent challenge for large language models (LLMs), which often produce plausible yet ungrounded reasoning chains that diverge from perceptual evidence or final conclusions. We distinguish between behavioral faithfulness (alignment between reasoning and output) and perceptual faithfulness (alignment between reasoning and input), and introduce FaithEval for quantifying step-level and chain-level faithfulness by evaluating whether each claimed object is visually supported by the image. Building on these insights, we propose FaithAct, a faithfulness-first planning and acting framework that enforces evidential grounding at every reasoning step. Experiments across multiple reasoning benchmarks demonstrate that FaithAct improves perceptual faithfulness by up to 26% without degrading task accuracy compared to prompt-based and tool-augmented baselines. Our analysis shows that treating faithfulness as a guiding principle not only mitigates hallucination but also leads to more stable reasoning trajectories. This work thereby establishes a unified framework for both evaluating and enforcing faithfulness in multimodal reasoning.

Jiatong Li, Weida Wang, Qinggang Zhang et al.

Large language models (LLMs), especially Explicit Long Chain-of-Thought (CoT) reasoning models like DeepSeek-R1 and QWQ, have demonstrated powerful reasoning capabilities, achieving impressive performance in commonsense reasoning and mathematical inference. Despite their effectiveness, Long-CoT reasoning models are often criticized for their limited ability and low efficiency in knowledge-intensive domains such as molecule discovery. Success in this field requires a precise understanding of domain knowledge, including molecular structures and chemical principles, which is challenging due to the inherent complexity of molecular data and the scarcity of high-quality expert annotations. To bridge this gap, we introduce Mol-R1, a novel framework designed to improve explainability and reasoning performance of R1-like Explicit Long-CoT reasoning LLMs in text-based molecule generation. Our approach begins with a high-quality reasoning dataset curated through Prior Regulation via In-context Distillation (PRID), a dedicated distillation strategy to effectively generate paired reasoning traces guided by prior regulations. Building upon this, we introduce MoIA, Molecular Iterative Adaptation, a sophisticated training strategy that iteratively combines Supervised Fine-tuning (SFT) with Reinforced Policy Optimization (RPO), tailored to boost the reasoning performance of R1-like reasoning models for molecule discovery. Finally, we examine the performance of Mol-R1 in the text-based molecule reasoning generation task, showing superior performance against existing baselines.

Zichen Wen, Yiyu Wang, Chenfei Liao et al.

In an era where AI is evolving from a passive tool into an active and adaptive companion, we introduce AI for Service (AI4Service), a new paradigm that enables proactive and real-time assistance in daily life. Existing AI services remain largely reactive, responding only to explicit user commands. We argue that a truly intelligent and helpful assistant should be capable of anticipating user needs and taking actions proactively when appropriate. To realize this vision, we propose Alpha-Service, a unified framework that addresses two fundamental challenges: Know When to intervene by detecting service opportunities from egocentric video streams, and Know How to provide both generalized and personalized services. Inspired by the von Neumann computer architecture and based on AI glasses, Alpha-Service consists of five key components: an Input Unit for perception, a Central Processing Unit for task scheduling, an Arithmetic Logic Unit for tool utilization, a Memory Unit for long-term personalization, and an Output Unit for natural human interaction. As an initial exploration, we implement Alpha-Service through a multi-agent system deployed on AI glasses. Case studies, including a real-time Blackjack advisor, a museum tour guide, and a shopping fit assistant, demonstrate its ability to seamlessly perceive the environment, infer user intent, and provide timely and useful assistance without explicit prompts.

Junxian Li, Bin Shi, Erfei Cui et al.

We study the challenging problem for inference tasks on large-scale graph datasets of Graph Neural Networks: huge time and memory consumption, and try to overcome it by reducing reliance on graph structure. Even though distilling graph knowledge to student MLP is an excellent idea, it faces two major problems of positional information loss and low generalization. To solve the problems, we propose a new three-stage multitask distillation framework. In detail, we use Positional Encoding to capture positional information. Also, we introduce Neural Heat Kernels responsible for graph data processing in GNN and utilize hidden layer outputs matching for better performance of student MLP's hidden layers. To the best of our knowledge, it is the first work to include hidden layer distillation for student MLP on graphs and to combine graph Positional Encoding with MLP. We test its performance and robustness with several settings and draw the conclusion that our work can outperform well with good stability.

Junxian Li, Beining Xu, Di Zhang

Vision-language models (VLMs) have shown significant advancements in tasks such as visual grounding, where they localize specific objects in images based on natural language queries and images. However, security issues in visual grounding tasks for VLMs remain underexplored, especially in the context of backdoor attacks. In this paper, we introduce a novel input-aware backdoor attack method, IAG, designed to manipulate the grounding behavior of VLMs. This attack forces the model to ground a specific target object in the input image, regardless of the user's query. We propose an adaptive trigger generator that embeds the semantic information of the attack target's description into the original image using a text-conditional U-Net, thereby overcoming the open-vocabulary attack challenge. To ensure the attack's stealthiness, we utilize a reconstruction loss to minimize visual discrepancies between poisoned and clean images. Additionally, we introduce a unified method for generating attack data. IAG is evaluated theoretically and empirically, demonstrating its feasibility and effectiveness. Notably, our ASR@0.5 on InternVL-2.5-8B reaches over 65\% on various testing sets. IAG also shows promising potential on manipulating Ferret-7B and LlaVA-1.5-7B with very little accuracy decrease on clean samples. Extensive specific experiments, such as ablation study and potential defense, also indicate the robustness and transferability of our attack.

Beining Xu, Junxian Li

Visible images offer rich texture details, while infrared images emphasize salient targets. Fusing these complementary modalities enhances scene understanding, particularly for advanced vision tasks under challenging conditions. Recently, deep learning-based fusion methods have gained attention, but current evaluations primarily rely on general-purpose metrics without standardized benchmarks or downstream task performance. Additionally, the lack of well-developed dual-spectrum datasets and fair algorithm comparisons hinders progress. To address these gaps, we construct a high-quality dual-spectrum dataset captured in campus environments, comprising 1,369 well-aligned visible-infrared image pairs across four representative scenarios: daytime, nighttime, smoke occlusion, and underpasses. We also propose a comprehensive and fair evaluation framework that integrates fusion speed, general metrics, and object detection performance using the lang-segment-anything model to ensure fairness in downstream evaluation. Extensive experiments benchmark several state-of-the-art fusion algorithms under this framework. Results demonstrate that fusion models optimized for downstream tasks achieve superior performance in target detection, especially in low-light and occluded scenes. Notably, some algorithms that perform well on general metrics do not translate to strong downstream performance, highlighting limitations of current evaluation practices and validating the necessity of our proposed framework. The main contributions of this work are: (1)a campus-oriented dual-spectrum dataset with diverse and challenging scenes; (2) a task-aware, comprehensive evaluation framework; and (3) thorough comparative analysis of leading fusion methods across multiple datasets, offering insights for future development.

Di Zhang, Weida Wang, Junxian Li et al.

This paper target in addressing the challenges of underthinking and overthinking in long chain-of-thought (CoT) reasoning for Large Reasoning Models (LRMs) by introducing Reasoning Control Fields (RCF)--a novel test-time approach that injects structured control signals to guide reasoning from a tree search perspective. RCF enables models to adjust reasoning effort according to given control conditions when solving complex tasks. Additionally, we present the Control-R-4K dataset, which consists of challenging problems annotated with detailed reasoning processes and corresponding control fields. To further enhance reasoning control, we propose a Conditional Distillation Finetuning (CDF) method, which trains model--particularly Control-R-32B--to effectively adjust reasoning effort during test time. Experimental results on benchmarks such as AIME2024 and MATH500 demonstrate that our approach achieves state-of-the-art performance at the 32B scale while enabling a controllable Long CoT reasoning process (L-CoT). Overall, this work introduces an effective paradigm for controllable test-time scaling reasoning.