Daily Papers

Reflection removal technology plays a crucial role in photography and computer vision applications. However, existing techniques are hindered by the lack of high-quality in-the-wild datasets. In this paper, we propose a novel paradigm for collecting reflection datasets from a fresh perspective. Our approach is convenient, cost-effective, and scalable, while ensuring that the collected data pairs are of high quality, perfectly aligned, and represent natural and diverse scenarios. Following this paradigm, we collect a Real-world, Diverse, and Pixel-aligned dataset (named OpenRR-1k dataset), which contains 1,000 high-quality transmission-reflection image pairs collected in the wild. Through the analysis of several reflection removal methods and benchmark evaluation experiments on our dataset, we demonstrate its effectiveness in improving robustness in challenging real-world environments. Our dataset is available at https://github.com/caijie0620/OpenRR-1k.

We present a novel pipeline, ReflectEvo, to demonstrate that small language models (SLMs) can enhance meta introspection through reflection learning. This process iteratively generates self-reflection for self-training, fostering a continuous and self-evolving process. Leveraging this pipeline, we construct ReflectEvo-460k, a large-scale, comprehensive, self-generated reflection dataset with broadened instructions and diverse multi-domain tasks. Building upon this dataset, we demonstrate the effectiveness of reflection learning to improve SLMs' reasoning abilities using SFT and DPO with remarkable performance, substantially boosting Llama-3 from 52.4% to 71.2% and Mistral from 44.4% to 71.1%. It validates that ReflectEvo can rival or even surpass the reasoning capability of the three prominent open-sourced models on BIG-bench without distillation from superior models or fine-grained human annotation. We further conduct a deeper analysis of the high quality of self-generated reflections and their impact on error localization and correction. Our work highlights the potential of continuously enhancing the reasoning performance of SLMs through iterative reflection learning in the long run.

In this work, we introduce OmniGen2, a versatile and open-source generative model designed to provide a unified solution for diverse generation tasks, including text-to-image, image editing, and in-context generation. Unlike OmniGen v1, OmniGen2 features two distinct decoding pathways for text and image modalities, utilizing unshared parameters and a decoupled image tokenizer. This design enables OmniGen2 to build upon existing multimodal understanding models without the need to re-adapt VAE inputs, thereby preserving the original text generation capabilities. To facilitate the training of OmniGen2, we developed comprehensive data construction pipelines, encompassing image editing and in-context generation data. Additionally, we introduce a reflection mechanism tailored for image generation tasks and curate a dedicated reflection dataset based on OmniGen2. Despite its relatively modest parameter size, OmniGen2 achieves competitive results on multiple task benchmarks, including text-to-image and image editing. To further evaluate in-context generation, also referred to as subject-driven tasks, we introduce a new benchmark named OmniContext. OmniGen2 achieves state-of-the-art performance among open-source models in terms of consistency. We will release our models, training code, datasets, and data construction pipeline to support future research in this field. Project Page: https://vectorspacelab.github.io/OmniGen2; GitHub Link: https://github.com/VectorSpaceLab/OmniGen2

Multimodal large language models (MLLMs) have shown promising capabilities in reasoning tasks, yet still struggle with complex problems requiring explicit self-reflection and self-correction, especially compared to their unimodal text-based counterparts. Existing reflection methods are simplistic and struggle to generate meaningful and instructive feedback, as the reasoning ability and knowledge limits of pre-trained models are largely fixed during initial training. To overcome these challenges, we propose Multimodal Self-Reflection enhanced reasoning with Group Relative Policy Optimization (SRPO), a two-stage reflection-aware reinforcement learning (RL) framework explicitly designed to enhance multimodal LLM reasoning. In the first stage, we construct a high-quality, reflection-focused dataset under the guidance of an advanced MLLM, which generates reflections based on initial responses to help the policy model learn both reasoning and self-reflection. In the second stage, we introduce a novel reward mechanism within the GRPO framework that encourages concise and cognitively meaningful reflection while avoiding redundancy. Extensive experiments across multiple multimodal reasoning benchmarks, including MathVista, MathVision, MathVerse, and MMMU-Pro, using Qwen-2.5-VL-7B and Qwen-2.5-VL-32B demonstrate that SRPO significantly outperforms state-of-the-art models, achieving notable improvements in both reasoning accuracy and reflection quality.

The current focus of AI research is shifting from emphasizing model training towards enhancing evaluation quality, a transition that is crucial for driving further advancements in AI systems. Traditional evaluation methods typically rely on reward models assigning scalar preference scores to outputs. Although effective, such approaches lack interpretability, leaving users often uncertain about why a reward model rates a particular response as high or low. The advent of LLM-as-a-Judge provides a more scalable and interpretable method of supervision, offering insights into the decision-making process. Moreover, with the emergence of large reasoning models, which consume more tokens for deeper thinking and answer refinement, scaling test-time computation in the LLM-as-a-Judge paradigm presents an avenue for further boosting performance and providing more interpretability through reasoning traces. In this paper, we introduce J1-7B, which is first supervised fine-tuned on reflection-enhanced datasets collected via rejection-sampling and subsequently trained using Reinforcement Learning (RL) with verifiable rewards. At inference time, we apply Simple Test-Time Scaling (STTS) strategies for additional performance improvement. Experimental results demonstrate that J1-7B surpasses the previous state-of-the-art LLM-as-a-Judge by 4.8\% and exhibits a 5.1\% stronger scaling trend under STTS. Additionally, we present three key findings: (1) Existing LLM-as-a-Judge does not inherently exhibit such scaling trend. (2) Model simply fine-tuned on reflection-enhanced datasets continues to demonstrate similarly weak scaling behavior. (3) Significant scaling trend emerges primarily during the RL phase, suggesting that effective STTS capability is acquired predominantly through RL training.

Recent text-to-image diffusion models achieve impressive visual quality through extensive scaling of training data and model parameters, yet they often struggle with complex scenes and fine-grained details. Inspired by the self-reflection capabilities emergent in large language models, we propose ReflectionFlow, an inference-time framework enabling diffusion models to iteratively reflect upon and refine their outputs. ReflectionFlow introduces three complementary inference-time scaling axes: (1) noise-level scaling to optimize latent initialization; (2) prompt-level scaling for precise semantic guidance; and most notably, (3) reflection-level scaling, which explicitly provides actionable reflections to iteratively assess and correct previous generations. To facilitate reflection-level scaling, we construct GenRef, a large-scale dataset comprising 1 million triplets, each containing a reflection, a flawed image, and an enhanced image. Leveraging this dataset, we efficiently perform reflection tuning on state-of-the-art diffusion transformer, FLUX.1-dev, by jointly modeling multimodal inputs within a unified framework. Experimental results show that ReflectionFlow significantly outperforms naive noise-level scaling methods, offering a scalable and compute-efficient solution toward higher-quality image synthesis on challenging tasks.

This paper addresses reflection removal, which is the task of separating reflection components from a captured image and deriving the image with only transmission components. Considering that the existence of the reflection changes the polarization state of a scene, some existing methods have exploited polarized images for reflection removal. While these methods apply polarized images as the inputs, they predict the reflection and the transmission directly as non-polarized intensity images. In contrast, we propose a polarization-to-polarization approach that applies polarized images as the inputs and predicts "polarized" reflection and transmission images using two sequential networks to facilitate the separation task by utilizing the interrelated polarization information between the reflection and the transmission. We further adopt a recurrent framework, where the predicted reflection and transmission images are used to iteratively refine each other. Experimental results on a public dataset demonstrate that our method outperforms other state-of-the-art methods.

Reflection removal is challenging due to complex light interactions, where reflections obscure important details and hinder scene understanding. Polarization naturally provides a powerful cue to distinguish between reflected and transmitted light, enabling more accurate reflection removal. However, existing methods often rely on small-scale or synthetic datasets, which fail to capture the diversity and complexity of real-world scenarios. To this end, we construct a large-scale dataset, PolaRGB, for Polarization-based reflection removal of RGB images, which enables us to train models that generalize effectively across a wide range of real-world scenarios. The PolaRGB dataset contains 6,500 well-aligned mixed-transmission image pairs, 8x larger than existing polarization datasets, and is the first to include both RGB and polarization images captured across diverse indoor and outdoor environments with varying lighting conditions. Besides, to fully exploit the potential of polarization cues for reflection removal, we introduce PolarFree, which leverages diffusion process to generate reflection-free cues for accurate reflection removal. Extensive experiments show that PolarFree significantly enhances image clarity in challenging reflective scenarios, setting a new benchmark for polarized imaging and reflection removal. Code and dataset are available at https://github.com/mdyao/PolarFree.

Recent advancements in Large Language Models (LLMs) have expanded the horizons of natural language understanding and generation. Notably, the output control and alignment with the input of LLMs can be refined through instruction tuning. However, as highlighted in several studies, low-quality data in the training set are usually detrimental to instruction tuning, resulting in inconsistent or even misleading LLM outputs. We propose a novel method, termed "reflection-tuning," which addresses the problem by self-improvement and judging capabilities of LLMs. This approach utilizes an oracle LLM to recycle the original training data by introspecting and enhancing the quality of instructions and responses in the data. Extensive experiments on widely used evaluation benchmarks show that LLMs trained with our recycled data outperform those trained with existing datasets in various benchmarks.

The effectiveness of network intrusion detection systems, predominantly based on machine learning, are highly influenced by the dataset they are trained on. Ensuring an accurate reflection of the multifaceted nature of benign and malicious traffic in these datasets is essential for creating models capable of recognizing and responding to a wide array of intrusion patterns. However, existing datasets often fall short, lacking the necessary diversity and alignment with the contemporary network environment, thereby limiting the effectiveness of intrusion detection. This paper introduces TII-SSRC-23, a novel and comprehensive dataset designed to overcome these challenges. Comprising a diverse range of traffic types and subtypes, our dataset is a robust and versatile tool for the research community. Additionally, we conduct a feature importance analysis, providing vital insights into critical features for intrusion detection tasks. Through extensive experimentation, we also establish firm baselines for supervised and unsupervised intrusion detection methodologies using our dataset, further contributing to the advancement and adaptability of intrusion detection models in the rapidly changing landscape of network security. Our dataset is available at https://kaggle.com/datasets/daniaherzalla/tii-ssrc-23.

Single image reflection removal is inherently ambiguous, as both the reflection and transmission components requiring separation may follow natural image statistics. Existing methods attempt to address the issue by using various types of low-level and physics-based cues as sources of reflection signals. However, these cues are not universally applicable, since they are only observable in specific capture scenarios. This leads to a significant performance drop when test images do not align with their assumptions. In this paper, we aim to explore a novel flexible interactive reflection removal approach that leverages various forms of sparse human guidance, such as points and bounding boxes, as auxiliary high-level prior to achieve robust reflection removal. However, incorporating the raw user guidance naively into the existing reflection removal network does not result in performance gains. To this end, we innovatively transform raw user input into a unified form -- reflection masks using an Interactive Segmentation Foundation Model. Such a design absorbs the quintessence of the foundational segmentation model and flexible human guidance, thereby mitigating the challenges of reflection separations. Furthermore, to fully utilize user guidance and reduce user annotation costs, we design a mask-guided reflection removal network, comprising our proposed self-adaptive prompt block. This block adaptively incorporates user guidance as anchors and refines transmission features via cross-attention mechanisms. Extensive results on real-world images validate that our method demonstrates state-of-the-art performance on various datasets with the help of flexible and sparse user guidance. Our code and dataset will be publicly available here https://github.com/ShawnChenn/FlexibleReflectionRemoval.

Deep learning based methods have achieved significant success in the task of single image reflection removal (SIRR). However, the majority of these methods are focused on High-Definition/Standard-Definition (HD/SD) images, while ignoring higher resolution images such as Ultra-High-Definition (UHD) images. With the increasing prevalence of UHD images captured by modern devices, in this paper, we aim to address the problem of UHD SIRR. Specifically, we first synthesize two large-scale UHD datasets, UHDRR4K and UHDRR8K. The UHDRR4K dataset consists of 2,999 and 168 quadruplets of images for training and testing respectively, and the UHDRR8K dataset contains 1,014 and 105 quadruplets. To the best of our knowledge, these two datasets are the first largest-scale UHD datasets for SIRR. Then, we conduct a comprehensive evaluation of six state-of-the-art SIRR methods using the proposed datasets. Based on the results, we provide detailed discussions regarding the strengths and limitations of these methods when applied to UHD images. Finally, we present a transformer-based architecture named RRFormer for reflection removal. RRFormer comprises three modules, namely the Prepossessing Embedding Module, Self-attention Feature Extraction Module, and Multi-scale Spatial Feature Extraction Module. These modules extract hypercolumn features, global and partial attention features, and multi-scale spatial features, respectively. To ensure effective training, we utilize three terms in our loss function: pixel loss, feature loss, and adversarial loss. We demonstrate through experimental results that RRFormer achieves state-of-the-art performance on both the non-UHD dataset and our proposed UHDRR datasets. The code and datasets are publicly available at https://github.com/Liar-zzy/Benchmarking-Ultra-High-Definition-Single-Image-Reflection-Removal.

Large Language Models (LLMs) have transformed natural language processing, yet improving their problem-solving capabilities, particularly for complex, reasoning-intensive tasks, remains a persistent challenge. This paper introduces the REAP (Reflection, Explicit Problem Deconstruction, and Advanced Prompting) method, an innovative approach within the dynamic context generation framework. REAP guides LLMs through reflection on the query, deconstructing it into manageable components, and generating relevant context to enhance the solution process. We evaluated REAP using a dataset designed to expose LLM limitations, comparing zero-shot prompting with REAP-enhanced prompts across six state-of-the-art models: OpenAI's o1-preview, o1-mini, GPT-4o, GPT-4o-mini, Google's Gemini 1.5 Pro, and Claude 3.5 Sonnet. The results demonstrate notable performance gains, with o1-mini improving by 40.97%, GPT-4o by 66.26%, and GPT-4o-mini by 112.93%. Despite the already strong baseline performance of OpenAI's o1-preview, modest gains were observed. Beyond performance improvements, REAP offers a cost-effective solution; for example, GPT-4o-mini, which is approximately 100 times cheaper than o1-preview, delivered competitive results. REAP also improves the clarity of model outputs, making it easier for humans to understand the reasoning behind the results and simplifying the process of identifying and addressing any issues. These findings demonstrate REAP's potential to greatly improve the capabilities of LLMs, providing both better performance and increased cost-efficiency across a wide range of applications.

Reinforcement learning-based retrieval-augmented generation (RAG) methods enhance the reasoning abilities of large language models (LLMs). However, most rely only on final-answer rewards, overlooking intermediate reasoning quality. This paper analyzes existing RAG reasoning models and identifies three main failure patterns: (1) information insufficiency, meaning the model fails to retrieve adequate support; (2) faulty reasoning, where logical or content-level flaws appear despite sufficient information; and (3) answer-reasoning inconsistency, where a valid reasoning chain leads to a mismatched final answer. We propose TIRESRAG-R1, a novel framework using a think-retrieve-reflect process and a multi-dimensional reward system to improve reasoning and stability. TIRESRAG-R1 introduces: (1) a sufficiency reward to encourage thorough retrieval; (2) a reasoning quality reward to assess the rationality and accuracy of the reasoning chain; and (3) a reflection reward to detect and revise errors. It also employs a difficulty-aware reweighting strategy and training sample filtering to boost performance on complex tasks. Experiments on four multi-hop QA datasets show that TIRESRAG-R1 outperforms prior RAG methods and generalizes well to single-hop tasks. The code and data are available at: https://github.com/probe2/TIRESRAG-R1.

Recent proprietary large language models (LLMs), such as GPT-4, have achieved a milestone in tackling diverse challenges in the biomedical domain, ranging from multiple-choice questions to long-form generations. To address challenges that still cannot be handled with the encoded knowledge of LLMs, various retrieval-augmented generation (RAG) methods have been developed by searching documents from the knowledge corpus and appending them unconditionally or selectively to the input of LLMs for generation. However, when applying existing methods to different domain-specific problems, poor generalization becomes apparent, leading to fetching incorrect documents or making inaccurate judgments. In this paper, we introduce Self-BioRAG, a framework reliable for biomedical text that specializes in generating explanations, retrieving domain-specific documents, and self-reflecting generated responses. We utilize 84k filtered biomedical instruction sets to train Self-BioRAG that can assess its generated explanations with customized reflective tokens. Our work proves that domain-specific components, such as a retriever, domain-related document corpus, and instruction sets are necessary for adhering to domain-related instructions. Using three major medical question-answering benchmark datasets, experimental results of Self-BioRAG demonstrate significant performance gains by achieving a 7.2% absolute improvement on average over the state-of-the-art open-foundation model with a parameter size of 7B or less. Overall, we analyze that Self-BioRAG finds the clues in the question, retrieves relevant documents if needed, and understands how to answer with information from retrieved documents and encoded knowledge as a medical expert does. We release our data and code for training our framework components and model weights (7B and 13B) to enhance capabilities in biomedical and clinical domains.

Long-form text generation remains a significant challenge for large language models (LLMs), particularly in maintaining coherence, ensuring logical consistency, and preserving text quality as sequence length increases. To address these limitations, we propose SuperWriter-Agent, an agent-based framework designed to enhance the quality and consistency of long-form text generation. SuperWriter-Agent introduces explicit structured thinking-through planning and refinement stages into the generation pipeline, guiding the model to follow a more deliberate and cognitively grounded process akin to that of a professional writer. Based on this framework, we construct a supervised fine-tuning dataset to train a 7B SuperWriter-LM. We further develop a hierarchical Direct Preference Optimization (DPO) procedure that uses Monte Carlo Tree Search (MCTS) to propagate final quality assessments and optimize each generation step accordingly. Empirical results across diverse benchmarks demonstrate that SuperWriter-LM achieves state-of-the-art performance, surpassing even larger-scale baseline models in both automatic evaluation and human evaluation. Furthermore, comprehensive ablation studies demonstrate the effectiveness of hierarchical DPO and underscore the value of incorporating structured thinking steps to improve the quality of long-form text generation.

Given news articles about an entity, such as a public figure or organization, timeline summarization (TLS) involves generating a timeline that summarizes the key events about the entity. However, the TLS task is too underspecified, since what is of interest to each reader may vary, and hence there is not a single ideal or optimal timeline. In this paper, we introduce a novel task, called Constrained Timeline Summarization (CTLS), where a timeline is generated in which all events in the timeline meet some constraint. An example of a constrained timeline concerns the legal battles of Tiger Woods, where only events related to his legal problems are selected to appear in the timeline. We collected a new human-verified dataset of constrained timelines involving 47 entities and 5 constraints per entity. We propose an approach that employs a large language model (LLM) to summarize news articles according to a specified constraint and cluster them to identify key events to include in a constrained timeline. In addition, we propose a novel self-reflection method during summary generation, demonstrating that this approach successfully leads to improved performance.

Clinical diagnosis is critical in medical practice, typically requiring a continuous and evolving process that includes primary diagnosis, differential diagnosis, and final diagnosis. However, most existing clinical diagnostic tasks are single-step processes, which does not align with the complex multi-step diagnostic procedures found in real-world clinical settings. In this paper, we propose a multi-step diagnostic task and annotate a clinical diagnostic dataset (MSDiagnosis). This dataset includes primary diagnosis, differential diagnosis, and final diagnosis questions. Additionally, we propose a novel and effective framework. This framework combines forward inference, backward inference, reflection, and refinement, enabling the LLM to self-evaluate and adjust its diagnostic results. To assess the effectiveness of our proposed method, we design and conduct extensive experiments. The experimental results demonstrate the effectiveness of the proposed method. We also provide a comprehensive experimental analysis and suggest future research directions for this task.

Recent studies have illuminated that Large Language Models (LLMs) exhibit substantial potential in the realm of RTL (Register Transfer Level) code generation, with notable advancements evidenced by commercial models such as GPT-4 and Claude3-Opus. Despite their proficiency, these commercial LLMs often raise concerns regarding privacy and security. Conversely, open-source LLMs, which offer solutions to these concerns, have inferior performance in RTL code generation tasks to commercial models due to the lack of highquality open-source RTL datasets. To address this issue, we introduce OriGen, a fully open-source framework featuring self-reflection capabilities and a dataset augmentation methodology for generating high-quality, large-scale RTL code. We propose a novel code-to-code augmentation methodology that leverages knowledge distillation to enhance the quality of the open-source RTL code datasets. Additionally, OriGen is capable of correcting syntactic errors by leveraging a self-reflection process based on feedback from the compiler. The self-reflection ability of the model is facilitated by a carefully constructed dataset, which comprises a comprehensive collection of samples. Experimental results demonstrate that OriGen remarkably outperforms other open-source alternatives in RTL code generation, surpassing the previous best-performing LLM by 9.8% on the VerilogEval-Human benchmark. Furthermore, OriGen exhibits superior capabilities in self-reflection and error rectification, surpassing GPT-4 by 18.1% on the benchmark designed to evaluate the capability of self-reflection.

Finetuning language agents with reasoning-action trajectories is effective, but obtaining these trajectories from human annotations or stronger models is costly and sometimes impractical. In this paper, we investigate the use of self-training in language agents, which can generate supervision from the agent itself, offering a promising alternative without relying on human or stronger model demonstrations. Self-training, however, requires high-quality model-generated samples, which are hard to obtain for challenging language agent tasks. To address this, we present Reflection-Reinforced Self-Training (Re-ReST), which uses a reflector to refine low-quality generated samples during self-training. The reflector takes the agent's output and feedback from an external environment (e.g., unit test results in code generation) to produce improved samples. This technique enhances the quality of inferior samples and efficiently enriches the self-training dataset with higher-quality samples. We conduct extensive experiments on open-source language agents across tasks, including multi-hop question answering, sequential decision-making, code generation, visual question answering, and text-to-image generation. The results demonstrate the effectiveness of self-training and Re-ReST in language agent tasks, with self-training improving baselines by 7.6\% on HotpotQA and 28.4\% on AlfWorld, and Re-ReST further boosting performance by 2.0\% and 14.1\%, respectively. Our studies also confirm the efficiency of using a reflector to generate high-quality samples for self-training. Moreover, we demonstrate a method to employ reflection during inference without ground-truth feedback, addressing the limitation of previous reflection work. Our code is released at https://github.com/PlusLabNLP/Re-ReST.

Large Language Models (LLMs), enhanced through agent tuning, have demonstrated remarkable capabilities in Chain-of-Thought (CoT) and tool utilization, significantly surpassing the performance of standalone models. However, the multimodal domain still lacks a large-scale, high-quality agent tuning dataset to unlock the full potential of multimodal large language models. To bridge this gap, we introduce MMAT-1M, the first million-scale multimodal agent tuning dataset designed to support CoT, reflection, and dynamic tool usage. Our dataset is constructed through a novel four-stage data engine: 1) We first curate publicly available multimodal datasets containing question-answer pairs; 2) Then, leveraging GPT-4o, we generate rationales for the original question-answer pairs and dynamically integrate API calls and Retrieval Augmented Generation (RAG) information through a multi-turn paradigm; 3) Furthermore, we refine the rationales through reflection to ensure logical consistency and accuracy, creating a multi-turn dialogue dataset with both Rationale and Reflection (RR); 4) Finally, to enhance efficiency, we optionally compress multi-turn dialogues into a One-turn Rationale and Reflection (ORR) format. By fine-tuning open-source multimodal models on the MMAT-1M, we observe significant performance gains. For instance, the InternVL2.5-8B-RR model achieves an average improvement of 2.7% across eight public benchmarks and 8.8% on the RAG benchmark Dyn-VQA, demonstrating the dataset's effectiveness in enhancing multimodal reasoning and tool-based capabilities. The dataset is publicly available at https://github.com/VIS-MPU-Agent/MMAT-1M.

3D visual grounding (3DVG) is challenging because of the requirement of understanding on visual information, language and spatial relationships. While supervised approaches have achieved superior performance, they are constrained by the scarcity and high cost of 3D vision-language datasets. On the other hand, LLM/VLM based agents are proposed for 3DVG, eliminating the need for training data. However, these methods incur prohibitive time and token costs during inference. To address the challenges, we introduce a novel training-free symbolic framework for 3D visual grounding, namely Evolvable Symbolic Visual Grounder, that offers significantly reduced inference costs compared to previous agent-based methods while maintaining comparable performance. EaSe uses LLM generated codes to compute on spatial relationships. EaSe also implements an automatic pipeline to evaluate and optimize the quality of these codes and integrate VLMs to assist in the grounding process. Experimental results demonstrate that EaSe achieves 52.9% accuracy on Nr3D dataset and 49.2% [email protected] on ScanRefer, which is top-tier among training-free methods. Moreover, it substantially reduces the inference time and cost, offering a balanced trade-off between performance and efficiency. Codes are available at https://github.com/OpenRobotLab/EaSe.

The reflection superposition phenomenon is complex and widely distributed in the real world, which derives various simplified linear and nonlinear formulations of the problem. In this paper, based on the investigation of the weaknesses of existing models, we propose a more general form of the superposition model by introducing a learnable residue term, which can effectively capture residual information during decomposition, guiding the separated layers to be complete. In order to fully capitalize on its advantages, we further design the network structure elaborately, including a novel dual-stream interaction mechanism and a powerful decomposition network with a semantic pyramid encoder. Extensive experiments and ablation studies are conducted to verify our superiority over state-of-the-art approaches on multiple real-world benchmark datasets. Our code is publicly available at https://github.com/mingcv/DSRNet.

Recommender systems are embracing conversational technologies to obtain user preferences dynamically, and to overcome inherent limitations of their static models. A successful Conversational Recommender System (CRS) requires proper handling of interactions between conversation and recommendation. We argue that three fundamental problems need to be solved: 1) what questions to ask regarding item attributes, 2) when to recommend items, and 3) how to adapt to the users' online feedback. To the best of our knowledge, there lacks a unified framework that addresses these problems. In this work, we fill this missing interaction framework gap by proposing a new CRS framework named Estimation-Action-Reflection, or EAR, which consists of three stages to better converse with users. (1) Estimation, which builds predictive models to estimate user preference on both items and item attributes; (2) Action, which learns a dialogue policy to determine whether to ask attributes or recommend items, based on Estimation stage and conversation history; and (3) Reflection, which updates the recommender model when a user rejects the recommendations made by the Action stage. We present two conversation scenarios on binary and enumerated questions, and conduct extensive experiments on two datasets from Yelp and LastFM, for each scenario, respectively. Our experiments demonstrate significant improvements over the state-of-the-art method CRM [32], corresponding to fewer conversation turns and a higher level of recommendation hits.

We introduce CCI4.0, a large-scale bilingual pre-training dataset engineered for superior data quality and diverse human-like reasoning trajectory. CCI4.0 occupies roughly 35 TB of disk space and comprises two sub-datasets: CCI4.0-M2-Base and CCI4.0-M2-CoT. CCI4.0-M2-Base combines a 5.2 TB carefully curated Chinese web corpus, a 22.5 TB English subset from Nemotron-CC, and diverse sources from math, wiki, arxiv, and code. Although these data are mostly sourced from well-processed datasets, the quality standards of various domains are dynamic and require extensive expert experience and labor to process. So, we propose a novel pipeline justifying data quality mainly based on models through two-stage deduplication, multiclassifier quality scoring, and domain-aware fluency filtering. We extract 4.5 billion pieces of CoT(Chain-of-Thought) templates, named CCI4.0-M2-CoT. Differing from the distillation of CoT from larger models, our proposed staged CoT extraction exemplifies diverse reasoning patterns and significantly decreases the possibility of hallucination. Empirical evaluations demonstrate that LLMs pre-trained in CCI4.0 benefit from cleaner, more reliable training signals, yielding consistent improvements in downstream tasks, especially in math and code reflection tasks. Our results underscore the critical role of rigorous data curation and human thinking templates in advancing LLM performance, shedding some light on automatically processing pretraining corpora.

Recent advances in Reasoning LLMs (e.g., DeepSeek-R1 and OpenAI-o1) have showcased impressive reasoning capabilities via reinforcement learning. However, extending these capabilities to Multimodal LLMs (MLLMs) is hampered by the prohibitive costs of retraining and the scarcity of high-quality, verifiable multimodal reasoning datasets. This paper introduces FRANK Model, a training-FRee ANd r1-liKe MLLM that imbues off-the-shelf MLLMs with reasoning and reflection abilities, without any gradient updates or extra supervision. Our key insight is to decouple perception and reasoning across MLLM decoder layers. Specifically, we observe that compared to the deeper decoder layers, the shallow decoder layers allocate more attention to visual tokens, while the deeper decoder layers concentrate on textual semantics. This observation motivates a hierarchical weight merging approach that combines a visual-pretrained MLLM with a reasoning-specialized LLM. To this end, we propose a layer-wise, Taylor-derived closed-form fusion mechanism that integrates reasoning capacity into deep decoder layers while preserving visual grounding in shallow decoder layers. Extensive experiments on challenging multimodal reasoning benchmarks demonstrate the effectiveness of our approach. On the MMMU benchmark, our model FRANK-38B achieves an accuracy of 69.2, outperforming the strongest baseline InternVL2.5-38B by +5.3, and even surpasses the proprietary GPT-4o model. Our project homepage is at: http://iip.whu.edu.cn/frank/index.html

Recent deep-learning-based approaches to single-image reflection removal have shown promising advances, primarily for two reasons: 1) the utilization of recognition-pretrained features as inputs, and 2) the design of dual-stream interaction networks. However, according to the Information Bottleneck principle, high-level semantic clues tend to be compressed or discarded during layer-by-layer propagation. Additionally, interactions in dual-stream networks follow a fixed pattern across different layers, limiting overall performance. To address these limitations, we propose a novel architecture called Reversible Decoupling Network (RDNet), which employs a reversible encoder to secure valuable information while flexibly decoupling transmission- and reflection-relevant features during the forward pass. Furthermore, we customize a transmission-rate-aware prompt generator to dynamically calibrate features, further boosting performance. Extensive experiments demonstrate the superiority of RDNet over existing SOTA methods on five widely-adopted benchmark datasets. Our code will be made publicly available.

In this work, we aim to develop an MLLM that understands and solves questions by learning to create each intermediate step of the reasoning involved till the final answer. To this end, we propose Collective Monte Carlo Tree Search (CoMCTS), a new learning-to-reason method for MLLMs, which introduces the concept of collective learning into ``tree search'' for effective and efficient reasoning-path searching and learning. The core idea of CoMCTS is to leverage collective knowledge from multiple models to collaboratively conjecture, search and identify effective reasoning paths toward correct answers via four iterative operations including Expansion, Simulation and Error Positioning, Backpropagation, and Selection. Using CoMCTS, we construct Mulberry-260k, a multimodal dataset with a tree of rich, explicit and well-defined reasoning nodes for each question. With Mulberry-260k, we perform collective SFT to train our model, Mulberry, a series of MLLMs with o1-like step-by-step Reasoning and Reflection capabilities. Extensive experiments demonstrate the superiority of our proposed methods on various benchmarks. Code will be available at https://github.com/HJYao00/Mulberry

Instruction tuning (IT) is crucial to tailoring large language models (LLMs) towards human-centric interactions. Recent advancements have shown that the careful selection of a small, high-quality subset of IT data can significantly enhance the performance of LLMs. Despite this, common approaches often rely on additional models or data sets, which increases costs and limits widespread adoption. In this work, we propose a novel approach, termed SelectIT, that capitalizes on the foundational capabilities of the LLM itself. Specifically, we exploit the intrinsic uncertainty present in LLMs to more effectively select high-quality IT data, without the need for extra resources. Furthermore, we introduce a novel IT dataset, the Selective Alpaca, created by applying SelectIT to the Alpaca-GPT4 dataset. Empirical results demonstrate that IT using Selective Alpaca leads to substantial model ability enhancement. The robustness of SelectIT has also been corroborated in various foundation models and domain-specific tasks. Our findings suggest that longer and more computationally intensive IT data may serve as superior sources of IT, offering valuable insights for future research in this area. Data, code, and scripts are freely available at https://github.com/Blue-Raincoat/SelectIT.

Code large language models (LLMs) enhance programming by understanding and generating code across languages, offering intelligent feedback, bug detection, and code updates through reflection, improving development efficiency and accessibility. While benchmarks (e.g. HumanEval/LiveCodeBench) evaluate code generation and real-world relevance, previous works ignore the scenario of modifying code in repositories. Considering challenges remaining in improving reflection capabilities and avoiding data contamination in dynamic benchmarks, we introduce LiveRepoReflection, a challenging benchmark for evaluating code understanding and generation in multi-file repository contexts, featuring 1,888 rigorously filtered test cases across 6 programming languages to ensure diversity, correctness, and high difficulty. Further, we create RepoReflection-Instruct, a large-scale, quality-filtered instruction-tuning dataset derived from diverse sources, used to train RepoReflectionCoder through a two-turn dialogue process involving code generation and error-driven repair. The leaderboard evaluates over 40 LLMs to reflect the model performance of repository-based code reflection.

Large Language Models (LLMs) have shown remarkable advancements in specialized fields such as finance, law, and medicine. However, in cybersecurity, we have noticed a lack of open-source datasets, with a particular lack of high-quality cybersecurity pretraining corpora, even though much research indicates that LLMs acquire their knowledge during pretraining. To address this, we present a comprehensive suite of datasets covering all major training stages, including pretraining, instruction fine-tuning, and reasoning distillation with cybersecurity-specific self-reflection data. Extensive ablation studies demonstrate their effectiveness on public cybersecurity benchmarks. In particular, continual pre-training on our dataset yields a 15.88% improvement in the aggregate score, while reasoning distillation leads to a 10% gain in security certification (CISSP). We will release all datasets and trained cybersecurity LLMs under the ODC-BY and MIT licenses to encourage further research in the community. For access to all datasets and model weights, please refer to https://huggingface.co/collections/trendmicro-ailab/primus-67b1fd27052b802b4af9d243.

Large reasoning models have recently made significant strides in mathematical and code reasoning, yet their success has not transferred smoothly to the medical domain. While multiple factors contribute to this disparity, a critical issue is the inadequate focus on the quality of intermediate reflection steps, which is particularly crucial in high-stakes medical scenarios. To address this challenge, we propose Med-REFL, a \textbf{Med}ical \textbf{R}easoning \textbf{E}nhancement via self-corrected \textbf{F}ine-grained ref\textbf{L}ection. Our method leverages a tree-of-thought approach to decompose medical questions into fine-grained reasoning paths, quantitatively evaluating each step and its subsequent reflections. These assessments enable automatic construction of direct preference optimization data, reducing reliance on expensive expert annotations while guiding models to identify and correct reasoning errors. Experimental results on the MedQA-USMLE benchmark demonstrate Med-REFL achieves consistent improvements, with average gains up to 4.11\%. Notably, it further boosts the state-of-the-art performance of 7B/8B models by an additional 4.13\%. Furthermore, Med-REFL exhibits strong generalization capabilities and robustness across several challenging medical question-answering datasets. Our work illustrates that prioritizing reflection quality leads to more accurate and trustworthy reasoning in medical AI applications. Checkpoints, code, and data can be found https://github.com/TianYin123/Med-REFL{here}.

Chain-of-thought (CoT) has proven to improve the reasoning capability of large language models (LLMs). However, due to the complexity of multimodal scenarios and the difficulty in collecting high-quality CoT data, CoT reasoning in multimodal LLMs has been largely overlooked. To this end, we propose a simple yet effective self-training framework, R3V, which iteratively enhances the model's Vision-language Reasoning by Reflecting on CoT Rationales. Our framework consists of two interleaved parts: (1) iteratively bootstrapping positive and negative solutions for reasoning datasets, and (2) reflection on rationale for learning from mistakes. Specifically, we introduce the self-refine and self-select losses, enabling the model to refine flawed rationale and derive the correct answer by comparing rationale candidates. Experiments on a wide range of vision-language tasks show that R3V consistently improves multimodal LLM reasoning, achieving a relative improvement of 23 to 60 percent over GPT-distilled baselines. Additionally, our approach supports self-reflection on generated solutions, further boosting performance through test-time computation.

Large language models (LLMs) have shown promise for generative and knowledge-intensive tasks including question-answering (QA) tasks. However, the practical deployment still faces challenges, notably the issue of "hallucination", where models generate plausible-sounding but unfaithful or nonsensical information. This issue becomes particularly critical in the medical domain due to the uncommon professional concepts and potential social risks involved. This paper analyses the phenomenon of hallucination in medical generative QA systems using widely adopted LLMs and datasets. Our investigation centers on the identification and comprehension of common problematic answers, with a specific emphasis on hallucination. To tackle this challenge, we present an interactive self-reflection methodology that incorporates knowledge acquisition and answer generation. Through this feedback process, our approach steadily enhances the factuality, consistency, and entailment of the generated answers. Consequently, we harness the interactivity and multitasking ability of LLMs and produce progressively more precise and accurate answers. Experimental results on both automatic and human evaluation demonstrate the superiority of our approach in hallucination reduction compared to baselines.

We have witnessed significant progress in deep learning-based 3D vision, ranging from neural radiance field (NeRF) based 3D representation learning to applications in novel view synthesis (NVS). However, existing scene-level datasets for deep learning-based 3D vision, limited to either synthetic environments or a narrow selection of real-world scenes, are quite insufficient. This insufficiency not only hinders a comprehensive benchmark of existing methods but also caps what could be explored in deep learning-based 3D analysis. To address this critical gap, we present DL3DV-10K, a large-scale scene dataset, featuring 51.2 million frames from 10,510 videos captured from 65 types of point-of-interest (POI) locations, covering both bounded and unbounded scenes, with different levels of reflection, transparency, and lighting. We conducted a comprehensive benchmark of recent NVS methods on DL3DV-10K, which revealed valuable insights for future research in NVS. In addition, we have obtained encouraging results in a pilot study to learn generalizable NeRF from DL3DV-10K, which manifests the necessity of a large-scale scene-level dataset to forge a path toward a foundation model for learning 3D representation. Our DL3DV-10K dataset, benchmark results, and models will be publicly accessible at https://dl3dv-10k.github.io/DL3DV-10K/.

Recent image-to-video generation methods have demonstrated success in enabling control over one or two visual elements, such as camera trajectory or object motion. However, these methods are unable to offer control over multiple visual elements due to limitations in data and network efficacy. In this paper, we introduce VidCRAFT3, a novel framework for precise image-to-video generation that enables control over camera motion, object motion, and lighting direction simultaneously. To better decouple control over each visual element, we propose the Spatial Triple-Attention Transformer, which integrates lighting direction, text, and image in a symmetric way. Since most real-world video datasets lack lighting annotations, we construct a high-quality synthetic video dataset, the VideoLightingDirection (VLD) dataset. This dataset includes lighting direction annotations and objects of diverse appearance, enabling VidCRAFT3 to effectively handle strong light transmission and reflection effects. Additionally, we propose a three-stage training strategy that eliminates the need for training data annotated with multiple visual elements (camera motion, object motion, and lighting direction) simultaneously. Extensive experiments on benchmark datasets demonstrate the efficacy of VidCRAFT3 in producing high-quality video content, surpassing existing state-of-the-art methods in terms of control granularity and visual coherence. All code and data will be publicly available. Project page: https://sixiaozheng.github.io/VidCRAFT3/.

Existing Neural Radiance Fields (NeRF) methods suffer from the existence of reflective objects, often resulting in blurry or distorted rendering. Instead of calculating a single radiance field, we propose a multi-space neural radiance field (MS-NeRF) that represents the scene using a group of feature fields in parallel sub-spaces, which leads to a better understanding of the neural network toward the existence of reflective and refractive objects. Our multi-space scheme works as an enhancement to existing NeRF methods, with only small computational overheads needed for training and inferring the extra-space outputs. We demonstrate the superiority and compatibility of our approach using three representative NeRF-based models, i.e., NeRF, Mip-NeRF, and Mip-NeRF 360. Comparisons are performed on a novelly constructed dataset consisting of 25 synthetic scenes and 7 real captured scenes with complex reflection and refraction, all having 360-degree viewpoints. Extensive experiments show that our approach significantly outperforms the existing single-space NeRF methods for rendering high-quality scenes concerned with complex light paths through mirror-like objects. Our code and dataset will be publicly available at https://zx-yin.github.io/msnerf.

Graph retrieval-augmented generation (GraphRAG) has effectively enhanced large language models in complex reasoning by organizing fragmented knowledge into explicitly structured graphs. Prior efforts have been made to improve either graph construction or graph retrieval in isolation, yielding suboptimal performance, especially when domain shifts occur. In this paper, we propose a vertically unified agentic paradigm, Youtu-GraphRAG, to jointly connect the entire framework as an intricate integration. Specifically, (i) a seed graph schema is introduced to bound the automatic extraction agent with targeted entity types, relations and attribute types, also continuously expanded for scalability over unseen domains; (ii) To obtain higher-level knowledge upon the schema, we develop novel dually-perceived community detection, fusing structural topology with subgraph semantics for comprehensive knowledge organization. This naturally yields a hierarchical knowledge tree that supports both top-down filtering and bottom-up reasoning with community summaries; (iii) An agentic retriever is designed to interpret the same graph schema to transform complex queries into tractable and parallel sub-queries. It iteratively performs reflection for more advanced reasoning; (iv) To alleviate the knowledge leaking problem in pre-trained LLM, we propose a tailored anonymous dataset and a novel 'Anonymity Reversion' task that deeply measures the real performance of the GraphRAG frameworks. Extensive experiments across six challenging benchmarks demonstrate the robustness of Youtu-GraphRAG, remarkably moving the Pareto frontier with up to 90.71% saving of token costs and 16.62% higher accuracy over state-of-the-art baselines. The results indicate our adaptability, allowing seamless domain transfer with minimal intervention on schema.

The financial domain poses unique challenges for knowledge graph (KG) construction at scale due to the complexity and regulatory nature of financial documents. Despite the critical importance of structured financial knowledge, the field lacks large-scale, open-source datasets capturing rich semantic relationships from corporate disclosures. We introduce an open-source, large-scale financial knowledge graph dataset built from the latest annual SEC 10-K filings of all S and P 100 companies - a comprehensive resource designed to catalyze research in financial AI. We propose a robust and generalizable knowledge graph (KG) construction framework that integrates intelligent document parsing, table-aware chunking, and schema-guided iterative extraction with a reflection-driven feedback loop. Our system incorporates a comprehensive evaluation pipeline, combining rule-based checks, statistical validation, and LLM-as-a-Judge assessments to holistically measure extraction quality. We support three extraction modes - single-pass, multi-pass, and reflection-agent-based - allowing flexible trade-offs between efficiency, accuracy, and reliability based on user requirements. Empirical evaluations demonstrate that the reflection-agent-based mode consistently achieves the best balance, attaining a 64.8 percent compliance score against all rule-based policies (CheckRules) and outperforming baseline methods (single-pass and multi-pass) across key metrics such as precision, comprehensiveness, and relevance in LLM-guided evaluations.

Diffusion models have become central to various image editing tasks, yet they often fail to fully adhere to physical laws, particularly with effects like shadows, reflections, and occlusions. In this work, we address the challenge of generating photorealistic mirror reflections using diffusion-based generative models. Despite extensive training data, existing diffusion models frequently overlook the nuanced details crucial to authentic mirror reflections. Recent approaches have attempted to resolve this by creating synhetic datasets and framing reflection generation as an inpainting task; however, they struggle to generalize across different object orientations and positions relative to the mirror. Our method overcomes these limitations by introducing key augmentations into the synthetic data pipeline: (1) random object positioning, (2) randomized rotations, and (3) grounding of objects, significantly enhancing generalization across poses and placements. To further address spatial relationships and occlusions in scenes with multiple objects, we implement a strategy to pair objects during dataset generation, resulting in a dataset robust enough to handle these complex scenarios. Achieving generalization to real-world scenes remains a challenge, so we introduce a three-stage training curriculum to develop the MirrorFusion 2.0 model to improve real-world performance. We provide extensive qualitative and quantitative evaluations to support our approach. The project page is available at: https://mirror-verse.github.io/.

This paper introduces UI-TARS, a native GUI agent model that solely perceives the screenshots as input and performs human-like interactions (e.g., keyboard and mouse operations). Unlike prevailing agent frameworks that depend on heavily wrapped commercial models (e.g., GPT-4o) with expert-crafted prompts and workflows, UI-TARS is an end-to-end model that outperforms these sophisticated frameworks. Experiments demonstrate its superior performance: UI-TARS achieves SOTA performance in 10+ GUI agent benchmarks evaluating perception, grounding, and GUI task execution. Notably, in the OSWorld benchmark, UI-TARS achieves scores of 24.6 with 50 steps and 22.7 with 15 steps, outperforming Claude (22.0 and 14.9 respectively). In AndroidWorld, UI-TARS achieves 46.6, surpassing GPT-4o (34.5). UI-TARS incorporates several key innovations: (1) Enhanced Perception: leveraging a large-scale dataset of GUI screenshots for context-aware understanding of UI elements and precise captioning; (2) Unified Action Modeling, which standardizes actions into a unified space across platforms and achieves precise grounding and interaction through large-scale action traces; (3) System-2 Reasoning, which incorporates deliberate reasoning into multi-step decision making, involving multiple reasoning patterns such as task decomposition, reflection thinking, milestone recognition, etc. (4) Iterative Training with Reflective Online Traces, which addresses the data bottleneck by automatically collecting, filtering, and reflectively refining new interaction traces on hundreds of virtual machines. Through iterative training and reflection tuning, UI-TARS continuously learns from its mistakes and adapts to unforeseen situations with minimal human intervention. We also analyze the evolution path of GUI agents to guide the further development of this domain.

The generation of 3D scenes from user-specified conditions offers a promising avenue for alleviating the production burden in 3D applications. Previous studies required significant effort to realize the desired scene, owing to limited control conditions. We propose a method for controlling and generating 3D scenes under multimodal conditions using partial images, layout information represented in the top view, and text prompts. Combining these conditions to generate a 3D scene involves the following significant difficulties: (1) the creation of large datasets, (2) reflection on the interaction of multimodal conditions, and (3) domain dependence of the layout conditions. We decompose the process of 3D scene generation into 2D image generation from the given conditions and 3D scene generation from 2D images. 2D image generation is achieved by fine-tuning a pretrained text-to-image model with a small artificial dataset of partial images and layouts, and 3D scene generation is achieved by layout-conditioned depth estimation and neural radiance fields (NeRF), thereby avoiding the creation of large datasets. The use of a common representation of spatial information using 360-degree images allows for the consideration of multimodal condition interactions and reduces the domain dependence of the layout control. The experimental results qualitatively and quantitatively demonstrated that the proposed method can generate 3D scenes in diverse domains, from indoor to outdoor, according to multimodal conditions.

Inverse rendering methods aim to estimate geometry, materials and illumination from multi-view RGB images. In order to achieve better decomposition, recent approaches attempt to model indirect illuminations reflected from different materials via Spherical Gaussians (SG), which, however, tends to blur the high-frequency reflection details. In this paper, we propose an end-to-end inverse rendering pipeline that decomposes materials and illumination from multi-view images, while considering near-field indirect illumination. In a nutshell, we introduce the Monte Carlo sampling based path tracing and cache the indirect illumination as neural radiance, enabling a physics-faithful and easy-to-optimize inverse rendering method. To enhance efficiency and practicality, we leverage SG to represent the smooth environment illuminations and apply importance sampling techniques. To supervise indirect illuminations from unobserved directions, we develop a novel radiance consistency constraint between implicit neural radiance and path tracing results of unobserved rays along with the joint optimization of materials and illuminations, thus significantly improving the decomposition performance. Extensive experiments demonstrate that our method outperforms the state-of-the-art on multiple synthetic and real datasets, especially in terms of inter-reflection decomposition.Our code and data are available at https://woolseyyy.github.io/nefii/.

We propose a learning-based method to recover normals, specularity, and roughness from a single diffuse image of a material, using microgeometry appearance as our primary cue. Previous methods that work on single images tend to produce over-smooth outputs with artifacts, operate at limited resolution, or train one model per class with little room for generalization. Previous methods that work on single images tend to produce over-smooth outputs with artifacts, operate at limited resolution, or train one model per class with little room for generalization. In contrast, in this work, we propose a novel capture approach that leverages a generative network with attention and a U-Net discriminator, which shows outstanding performance integrating global information at reduced computational complexity. We showcase the performance of our method with a real dataset of digitized textile materials and show that a commodity flatbed scanner can produce the type of diffuse illumination required as input to our method. Additionally, because the problem might be illposed -more than a single diffuse image might be needed to disambiguate the specular reflection- or because the training dataset is not representative enough of the real distribution, we propose a novel framework to quantify the model's confidence about its prediction at test time. Our method is the first one to deal with the problem of modeling uncertainty in material digitization, increasing the trustworthiness of the process and enabling more intelligent strategies for dataset creation, as we demonstrate with an active learning experiment.

The relation extraction (RE) in complex scenarios faces challenges such as diverse relation types and ambiguous relations between entities within a single sentence, leading to the poor performance of pure "text-in, text-out" language models (LMs). To address these challenges, in this paper, we propose an agent-based RE framework, namely AgentRE, which fully leverages the potential of large language models (LLMs) including memory, retrieval and reflection, to achieve RE in complex scenarios. Specifically, three major modules are built in AgentRE serving as the tools to help the agent acquire and process various useful information, thereby obtaining improved RE performance. Our extensive experimental results upon two datasets in English and Chinese demonstrate our AgentRE's superior performance, especially in low-resource scenarios. Additionally, the trajectories generated by AgentRE can be refined to construct a high-quality training dataset incorporating different reasoning methods, which can be used to fine-tune smaller models. Code is available at https://github.com/Lightblues/AgentRE.

Molecule discovery is a pivotal research field, impacting everything from the medicines we take to the materials we use. Recently, Large Language Models (LLMs) have been widely adopted in molecule understanding and generation, yet the alignments between molecules and their corresponding captions remain a significant challenge. Previous endeavours often treat the molecule as a general SMILES string or molecular graph, neglecting the fine-grained alignments between the molecular sub-structures and the descriptive textual phrases, which are crucial for accurate and explainable predictions. In this case, we introduce MolReFlect, a novel teacher-student framework designed to contextually perform the molecule-caption alignments in a fine-grained way. Our approach initially leverages a larger teacher LLM to label the detailed alignments by directly extracting critical phrases from molecule captions or SMILES strings and implying them to corresponding sub-structures or characteristics. To refine these alignments, we propose In-Context Selective Reflection, which retrieves previous extraction results as context examples for teacher LLM to reflect and lets a smaller student LLM select from in-context reflection and previous extraction results. Finally, we enhance the learning process of the student LLM through Chain-of-Thought In-Context Molecule Tuning, integrating the fine-grained alignments and the reasoning processes within the Chain-of-Thought format. Our experimental results demonstrate that MolReFlect enables LLMs like Mistral-7B to significantly outperform the previous baselines, achieving SOTA performance on the ChEBI-20 dataset. This advancement not only enhances the generative capabilities of LLMs in the molecule-caption translation task, but also contributes to a more explainable framework.

Large Reasoning Models (LRMs) like DeepSeek-R1 and OpenAI-o1 have demonstrated remarkable reasoning capabilities, raising important questions about their biases in LLM-as-a-judge settings. We present a comprehensive benchmark comparing judging biases between LLMs and LRMs across both subjective preference-alignment datasets and objective fact-based datasets. Through investigation of bandwagon, authority, position, and distraction biases, we uncover four key findings: (1) despite their advanced reasoning capabilities, LRMs remain susceptible to the above biases; (2) LRMs demonstrate better robustness than LLMs specifically on fact-related datasets; (3) LRMs exhibit notable position bias, preferring options in later positions; and (4) we identify a novel "superficial reflection bias" where phrases mimicking reasoning (e.g., "wait, let me think...") significantly influence model judgments. To address these biases, we design and evaluate three mitigation strategies: specialized system prompts that reduce judging biases by up to 19\% in preference alignment datasets and 14\% in fact-related datasets, in-context learning that provides up to 27\% improvement on preference tasks but shows inconsistent results on factual tasks, and a self-reflection mechanism that reduces biases by up to 10\% in preference datasets and 16\% in fact-related datasets, with self-reflection proving particularly effective for LRMs. Our work provides crucial insights for developing more reliable LLM-as-a-Judge frameworks, especially as LRMs become increasingly deployed as automated judges.