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Jan 5

OCSU: Optical Chemical Structure Understanding for Molecule-centric Scientific Discovery

Understanding the chemical structure from a graphical representation of a molecule is a challenging image caption task that would greatly benefit molecule-centric scientific discovery. Variations in molecular images and caption subtasks pose a significant challenge in both image representation learning and task modeling. Yet, existing methods only focus on a specific caption task that translates a molecular image into its graph structure, i.e., OCSR. In this paper, we propose the Optical Chemical Structure Understanding (OCSU) task, which extends OCSR to molecular image caption from motif level to molecule level and abstract level. We present two approaches for that, including an OCSR-based method and an end-to-end OCSR-free method. The proposed Double-Check achieves SOTA OCSR performance on real-world patent and journal article scenarios via attentive feature enhancement for local ambiguous atoms. Cascading with SMILES-based molecule understanding methods, it can leverage the power of existing task-specific models for OCSU. While Mol-VL is an end-to-end optimized VLM-based model. An OCSU dataset, Vis-CheBI20, is built based on the widely used CheBI20 dataset for training and evaluation. Extensive experimental results on Vis-CheBI20 demonstrate the effectiveness of the proposed approaches. Improving OCSR capability can lead to a better OCSU performance for OCSR-based approach, and the SOTA performance of Mol-VL demonstrates the great potential of end-to-end approach.

  • 8 authors
·
Jan 26, 2025

EgoNight: Towards Egocentric Vision Understanding at Night with a Challenging Benchmark

Most existing benchmarks for egocentric vision understanding focus primarily on daytime scenarios, overlooking the low-light conditions that are inevitable in real-world applications. To investigate this gap, we present EgoNight, the first comprehensive benchmark for nighttime egocentric vision, with visual question answering (VQA) as the core task. A key feature of EgoNight is the introduction of day-night aligned videos, which enhance night annotation quality using the daytime data and reveal clear performance gaps between lighting conditions. To achieve this, we collect both synthetic videos rendered by Blender and real-world recordings, ensuring that scenes and actions are visually and temporally aligned. Leveraging these paired videos, we construct EgoNight-VQA, supported by a novel day-augmented night auto-labeling engine and refinement through extensive human verification. Each QA pair is double-checked by annotators for reliability. In total, EgoNight-VQA contains 3658 QA pairs across 90 videos, spanning 12 diverse QA types, with more than 300 hours of human work. Evaluations of state-of-the-art multimodal large language models (MLLMs) reveal substantial performance drops when transferring from day to night, underscoring the challenges of reasoning under low-light conditions. Beyond VQA, EgoNight also introduces two auxiliary tasks, day-night correspondence retrieval and egocentric depth estimation at night, that further explore the boundaries of existing models. We believe EgoNight-VQA provides a strong foundation for advancing application-driven egocentric vision research and for developing models that generalize across illumination domains. All the data and code will be made available upon acceptance.

  • 12 authors
·
Oct 7, 2025 2

APT-36K: A Large-scale Benchmark for Animal Pose Estimation and Tracking

Animal pose estimation and tracking (APT) is a fundamental task for detecting and tracking animal keypoints from a sequence of video frames. Previous animal-related datasets focus either on animal tracking or single-frame animal pose estimation, and never on both aspects. The lack of APT datasets hinders the development and evaluation of video-based animal pose estimation and tracking methods, limiting real-world applications, e.g., understanding animal behavior in wildlife conservation. To fill this gap, we make the first step and propose APT-36K, i.e., the first large-scale benchmark for animal pose estimation and tracking. Specifically, APT-36K consists of 2,400 video clips collected and filtered from 30 animal species with 15 frames for each video, resulting in 36,000 frames in total. After manual annotation and careful double-check, high-quality keypoint and tracking annotations are provided for all the animal instances. Based on APT-36K, we benchmark several representative models on the following three tracks: (1) supervised animal pose estimation on a single frame under intra- and inter-domain transfer learning settings, (2) inter-species domain generalization test for unseen animals, and (3) animal pose estimation with animal tracking. Based on the experimental results, we gain some empirical insights and show that APT-36K provides a valuable animal pose estimation and tracking benchmark, offering new challenges and opportunities for future research. The code and dataset will be made publicly available at https://github.com/pandorgan/APT-36K.

  • 6 authors
·
Jun 12, 2022

Towards Content-based Pixel Retrieval in Revisited Oxford and Paris

This paper introduces the first two pixel retrieval benchmarks. Pixel retrieval is segmented instance retrieval. Like semantic segmentation extends classification to the pixel level, pixel retrieval is an extension of image retrieval and offers information about which pixels are related to the query object. In addition to retrieving images for the given query, it helps users quickly identify the query object in true positive images and exclude false positive images by denoting the correlated pixels. Our user study results show pixel-level annotation can significantly improve the user experience. Compared with semantic and instance segmentation, pixel retrieval requires a fine-grained recognition capability for variable-granularity targets. To this end, we propose pixel retrieval benchmarks named PROxford and PRParis, which are based on the widely used image retrieval datasets, ROxford and RParis. Three professional annotators label 5,942 images with two rounds of double-checking and refinement. Furthermore, we conduct extensive experiments and analysis on the SOTA methods in image search, image matching, detection, segmentation, and dense matching using our pixel retrieval benchmarks. Results show that the pixel retrieval task is challenging to these approaches and distinctive from existing problems, suggesting that further research can advance the content-based pixel-retrieval and thus user search experience. The datasets can be downloaded from https://github.com/anguoyuan/Pixel_retrieval-Segmented_instance_retrieval{this link}.

  • 6 authors
·
Sep 11, 2023

A Vulnerability Code Intent Summary Dataset

In the era of Large Language Models (LLMs), the code summarization technique boosts a lot, along with the emergence of many new significant works. However, the potential of code summarization in the Computer Security Area still remains explored. Can we generate a code summary of a code snippet for its security intention? Thus, this work proposes an innovative large-scale multi-perspective Code Intent Summary Dataset named BADS , aiming to increase the understanding of a given code snippet and reduce the risk in the code developing process. The procedure of establishing a dataset can be divided into four steps: First, we collect samples of codes with known vulnerabilities as well as code generated by AI from multiple sources. Second, we do the data clean and format unification, then do the data combination. Third, we utilize the LLM to automatically Annotate the code snippet. Last, We do the human evaluation to double-check. The dataset contains X code examples which cover Y categories of vulnerability. Our data are from Z open-source projects and CVE entries, and compared to existing work, our dataset not only contains original code but also code function summary and security intent summary, providing context information for research in code security analysis. All information is in CSV format. The contributions of this paper are four-fold: the establishment of a high-quality, multi-perspective Code Intent Summary Dataset; an innovative method in data collection and processing; A new multi-perspective code analysis framework that promotes cross-disciplinary research in the fields of software engineering and cybersecurity; improving the practicality and scalability of the research outcomes by considering the code length limitations in real-world applications. Our dataset and related tools have been publicly released on GitHub.

  • 3 authors
·
Apr 10, 2025

m1: Unleash the Potential of Test-Time Scaling for Medical Reasoning with Large Language Models

Test-time scaling has emerged as a powerful technique for enhancing the reasoning capabilities of large language models. However, its effectiveness in medical reasoning remains uncertain, as the medical domain fundamentally differs from mathematical tasks in terms of knowledge representation and decision-making processes. In this paper, we provide the first comprehensive investigation of test-time scaling for medical reasoning and present m1, a simple yet effective approach that increases a model's medical reasoning capability at inference. Our evaluation across diverse medical tasks demonstrates that test-time scaling consistently enhances medical reasoning, enabling lightweight fine-tuned models under 10B parameters to establish new state-of-the-art performance, while our 32B model rivals previous 70B-scale medical LLMs. However, we identify an optimal reasoning token budget of approximately 4K, beyond which performance may degrade due to overthinking. Budget forcing, which extends test-time computation through iterative prompts, helps models double-check answers but does not necessarily improve the overall medical QA performance and, in some cases, even introduces errors into previously correct responses. Our case-by-case analysis identifies insufficient medical knowledge as a key bottleneck that prevents further performance gains through test-time scaling. We find that increasing data scale, improving data quality, and expanding model capacity consistently enhance medical knowledge grounding, enabling continued performance improvements, particularly on challenging medical benchmarks where smaller models reach saturation. These findings underscore fundamental differences between medical and mathematical reasoning in LLMs, highlighting that enriched medical knowledge, other than increased reasoning depth alone, is essential for realizing the benefits of test-time scaling.

  • 5 authors
·
Apr 1, 2025 2

Persona is a Double-edged Sword: Enhancing the Zero-shot Reasoning by Ensembling the Role-playing and Neutral Prompts

Recent studies demonstrate that prompting an appropriate role-playing persona to an LLM improves its reasoning capability. However, assigning a proper persona is difficult since an LLM's performance is extremely sensitive to assigned prompts; therefore, personas sometimes hinder LLMs and degrade their reasoning capabilities. In this paper, we propose a novel framework, Jekyll \& Hyde, which ensembles the results of role-playing and neutral prompts to eradicate performance degradation via unilateral use of role-playing prompted LLM and enhance the robustness of an LLM's reasoning ability. Specifically, Jekyll \& Hyde collects two potential solutions from both role-playing and neutral prompts and selects a better solution after cross-checking via an LLM evaluator. However, LLM-based evaluators tend to be affected by the order of those potential solutions within the prompt when selecting the proper solution; thus, we also propose a robust LLM evaluator to mitigate the position bias. The experimental analysis demonstrates that role-playing prompts distract LLMs and degrade their reasoning abilities in 4 out of 12 datasets, even when using GPT-4. In addition, we reveal that Jekyll \& Hyde improves reasoning capabilities by selecting better choices among the potential solutions on twelve widely-used reasoning datasets. We further show that our proposed LLM evaluator outperforms other baselines, proving the LLMs' position bias is successfully mitigated.

  • 3 authors
·
Aug 16, 2024

Reliable and Efficient In-Memory Fault Tolerance of Large Language Model Pretraining

Extensive system scales (i.e. thousands of GPU/TPUs) and prolonged training periods (i.e. months of pretraining) significantly escalate the probability of failures when training large language models (LLMs). Thus, efficient and reliable fault-tolerance methods are in urgent need. Checkpointing is the primary fault-tolerance method to periodically save parameter snapshots from GPU memory to disks via CPU memory. In this paper, we identify the frequency of existing checkpoint-based fault-tolerance being significantly limited by the storage I/O overheads, which results in hefty re-training costs on restarting from the nearest checkpoint. In response to this gap, we introduce an in-memory fault-tolerance framework for large-scale LLM pretraining. The framework boosts the efficiency and reliability of fault tolerance from three aspects: (1) Reduced Data Transfer and I/O: By asynchronously caching parameters, i.e., sharded model parameters, optimizer states, and RNG states, to CPU volatile memory, Our framework significantly reduces communication costs and bypasses checkpoint I/O. (2) Enhanced System Reliability: Our framework enhances parameter protection with a two-layer hierarchy: snapshot management processes (SMPs) safeguard against software failures, together with Erasure Coding (EC) protecting against node failures. This double-layered protection greatly improves the survival probability of the parameters compared to existing checkpointing methods. (3) Improved Snapshotting Frequency: Our framework achieves more frequent snapshotting compared with asynchronous checkpointing optimizations under the same saving time budget, which improves the fault tolerance efficiency. Empirical results demonstrate that Our framework minimizes the overhead of fault tolerance of LLM pretraining by effectively leveraging redundant CPU resources.

  • 10 authors
·
Oct 19, 2023

Low-Rank Quantization-Aware Training for LLMs

Large language models (LLMs) are omnipresent, however their practical deployment is challenging due to their ever increasing computational and memory demands. Quantization is one of the most effective ways to make them more compute and memory efficient. Quantization-aware training (QAT) methods, generally produce the best quantized performance, however it comes at the cost of potentially long training time and excessive memory usage, making it impractical when applying for LLMs. Inspired by parameter-efficient fine-tuning (PEFT) and low-rank adaptation (LoRA) literature, we propose LR-QAT -- a lightweight and memory-efficient QAT algorithm for LLMs. LR-QAT employs several components to save memory without sacrificing predictive performance: (a) low-rank auxiliary weights that are aware of the quantization grid; (b) a downcasting operator using fixed-point or double-packed integers and (c) checkpointing. Unlike most related work, our method (i) is inference-efficient, leading to no additional overhead compared to traditional PTQ; (ii) can be seen as a general extended pretraining framework, meaning that the resulting model can still be utilized for any downstream task afterwards; (iii) can be applied across a wide range of quantization settings, such as different choices quantization granularity, activation quantization, and seamlessly combined with many PTQ techniques. We apply LR-QAT to LLaMA-1/2/3 and Mistral model families and validate its effectiveness on several downstream tasks. Our method outperforms common post-training quantization (PTQ) approaches and reaches the same model performance as full-model QAT at the fraction of its memory usage. Specifically, we can train a 7B LLM on a single consumer grade GPU with 24GB of memory. Our source code is available at https://github.com/qualcomm-ai-research/LR-QAT

  • 3 authors
·
Jun 10, 2024