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Boyang Li

Publications and source records attributed to Boyang Li.

At least 91 records · Page 5Linked to original sources

Scaling Molecular Dynamics with ab initio Accuracy to 149 Nanoseconds per Day

Physical phenomena such as chemical reactions, bond breaking, and phase transition require molecular dynamics (MD) simulation with ab initio accuracy ranging from milliseconds to microseconds. However, previous state-of-the-art neural network based MD packages such as DeePMD-kit can only reach 4.7 nanoseconds per day on the Fugaku supercomputer. In this paper, we present a novel node-based parallelization scheme to reduce communication by 81%, then optimize the computationally intensive kernels with sve-gemm and mixed precision. Finally, we implement intra-node load balance to further improve the scalability. Numerical results on the Fugaku supercomputer show that our work has significantly improved the time-to-solution of the DeePMD-kit by a factor of 31.7x, reaching 149 nanoseconds per day on 12,000 computing nodes. This work has opened the door for millisecond simulation with ab initio accuracy within one week for the first time.

cs.DC↗

A Training Data Recipe to Accelerate A* Search with Language Models

Combining Large Language Models (LLMs) with heuristic search algorithms like A* holds the promise of enhanced LLM reasoning and scalable inference. To accelerate training and reduce computational demands, we investigate the coreset selection problem for the training data of LLM heuristic learning. Few methods to learn the heuristic functions consider the interaction between the search algorithm and the machine learning model. In this work, we empirically disentangle the requirements of A* search algorithm from the requirements of the LLM to generalise on this task. Surprisingly, we find an overlap between their requirements; A* requires more accurate predictions on search nodes near the goal, and LLMs need the same set of nodes for effective generalisation. With these insights, we derive a data-selection distribution for learning LLM-based heuristics. On three classical planning domains, maze navigation, Sokoban and sliding tile puzzles, our technique reduces the number of iterations required to find the solutions by up to 15x, with a wall-clock speed-up of search up to 5x. The codebase is at https://github.com/devaansh100/a_star.

cs.AI↗

Reinforcement Learning-based Non-Autoregressive Solver for Traveling Salesman Problems

The Traveling Salesman Problem (TSP) is a well-known combinatorial optimization problem with broad real-world applications. Recently, neural networks have gained popularity in this research area because as shown in the literature, they provide strong heuristic solutions to TSPs. Compared to autoregressive neural approaches, non-autoregressive (NAR) networks exploit the inference parallelism to elevate inference speed but suffer from comparatively low solution quality. In this paper, we propose a novel NAR model named NAR4TSP, which incorporates a specially designed architecture and an enhanced reinforcement learning strategy. To the best of our knowledge, NAR4TSP is the first TSP solver that successfully combines RL and NAR networks. The key lies in the incorporation of NAR network output decoding into the training process. NAR4TSP efficiently represents TSP encoded information as rewards and seamlessly integrates it into reinforcement learning strategies, while maintaining consistent TSP sequence constraints during both training and testing phases. Experimental results on both synthetic and real-world TSPs demonstrate that NAR4TSP outperforms five state-of-the-art models in terms of solution quality, inference speed, and generalization to unseen scenarios.

cs.AI↗

Diversify, Rationalize, and Combine: Ensembling Multiple QA Strategies for Zero-shot Knowledge-based VQA

Knowledge-based Visual Question-answering (K-VQA) often requires the use of background knowledge beyond the image. However, we discover that a single knowledge generation strategy is often insufficient for all K-VQA questions. To this end, we propose Diversification, Evidence Truncation, and Combination for Knowledge-based Elucidation (DietCoke), which utilizes a bundle of complementary question-answering tactics and aggregates their answers using textual rationales. DietCoke comprises of three stages: diversification, rationalization, and ensemble. The diversification stage generates three distinctive decision contexts, each leading to its own answer candidate. The rationalization stage generates two rationales, the automatic rationale and the mechanistic rationale, for each answer candidate using decorrelated techniques. Finally, in the ensemble stage, an LLM informed by the rationales selects one answer from the three candidates. Experiments show that DietCoke significantly outperforms state-of-the-art LLM-based baselines by 2.8% on OK-VOA and 4.7% on A-OKVOA and that the strategies in the ensembles are highly complementary. Code is available at: https://github.com/limiaoyu/DietCoke

cs.CL↗

Generating Synthetic Datasets for Few-shot Prompt Tuning

A major limitation of prompt tuning is its dependence on large labeled training datasets. Under few-shot learning settings, prompt tuning lags far behind full-model fine-tuning, limiting its scope of application. In this paper, we leverage the powerful LLMs to synthesize task-specific labeled data for training the soft prompts. We first introduce a distribution-aligned weighted generator tuning (DawGen) method to encourage generating in-distribution data that aligns with the few-shot real data. Then, we train soft prompts on both synthetic and real datasets using a gradient surgery approach, which eliminates the conflicting gradients from different data sources. Experiments on seven sentence-pair classification datasets demonstrate the effectiveness of our proposed method for boosting prompt tuning in few-shot learning settings. Results on QQP, MRPC, and SICK datasets are even comparable to the performance of transfer learning from large real-world datasets, showing the promise of synthetic data as an alternative for enhancing soft prompt tuning.

cs.CL↗

Multilingual Synopses of Movie Narratives: A Dataset for Vision-Language Story Understanding

Story video-text alignment, a core task in computational story understanding, aims to align video clips with corresponding sentences in their descriptions. However, progress on the task has been held back by the scarcity of manually annotated video-text correspondence and the heavy concentration on English narrations of Hollywood movies. To address these issues, in this paper, we construct a large-scale multilingual video story dataset named Multilingual Synopses of Movie Narratives (M-SYMON), containing 13,166 movie summary videos from 7 languages, as well as manual annotation of fine-grained video-text correspondences for 101.5 hours of video. Training on the human annotated data from SyMoN outperforms the SOTA methods by 15.7 and 16.2 percentage points on Clip Accuracy and Sentence IoU scores, respectively, demonstrating the effectiveness of the annotations. As benchmarks for future research, we create 6 baseline approaches with different multilingual training strategies, compare their performance in both intra-lingual and cross-lingual setups, exemplifying the challenges of multilingual video-text alignment. The dataset is released at: https://github.com/insundaycathy/M-SyMoN

cs.CL↗

Concept-skill Transferability-based Data Selection for Large Vision-Language Models

Instruction tuning, or supervised finetuning on extensive task-specific data, is necessary for Large Vision-Language Models (LVLMs) to generalize well across a broad range of vision-language (VL) tasks. However, training on large VL datasets can become prohibitively expensive. In this work, we introduce COINCIDE, an effective and scalable data selection technique that uses a small model as a reference model to select visual instruction tuning data for efficient finetuning of a target LVLM, focusing on diversity and transferability. Specifically, we cluster the training data using internal activations from a small model, which identifies VL concept-skill compositions needed by a target LVLM. We then sample data from these diverse clusters by considering their density and transferability, or the ability to transfer well to other concept-skill compositions. This approach ensures the diversity of these compositions, which is vital for LVLM generalization. Extensive experiments demonstrate that COINCIDE achieves superior performance and data selection efficiency against 8 strong baselines on two distinct datasets: LLaVA-1.5 and Vision-Flan. Using only 20% of the LLaVA-1.5 dataset, COINCIDE achieves performance comparable to the LVLM finetuned on the whole dataset, with 70% reduction of the wall-clock running time. On the Vision-Flan dataset, our method achieves superior results with only 16.7% of the training data.

cs.CV↗

Zero-to-Strong Generalization: Eliciting Strong Capabilities of Large Language Models Iteratively without Gold Labels

Large Language Models (LLMs) have demonstrated remarkable performance through supervised fine-tuning or in-context learning using gold labels. However, this paradigm is limited by the availability of gold labels, while in certain scenarios, LLMs may need to perform tasks that are too complex for humans to provide such labels. To tackle this challenge, this study explores whether solely utilizing unlabeled data can elicit strong model capabilities. We propose a new paradigm termed zero-to-strong generalization. We iteratively prompt LLMs to annotate unlabeled data and retain high-quality labels by filtering. Surprisingly, we obverse that this iterative process gradually unlocks LLMs' potential on downstream tasks. Our experiments on extensive classification and reasoning tasks confirm the effectiveness of our proposed framework. Our analysis indicates that this paradigm is effective for both in-context learning and fine-tuning, and for various model sizes.

cs.CL↗

Enhancing Performance and Scalability of Large-Scale Recommendation Systems with Jagged Flash Attention

The integration of hardware accelerators has significantly advanced the capabilities of modern recommendation systems, enabling the exploration of complex ranking paradigms previously deemed impractical. However, the GPU-based computational costs present substantial challenges. In this paper, we demonstrate our development of an efficiency-driven approach to explore these paradigms, moving beyond traditional reliance on native PyTorch modules. We address the specific challenges posed by ranking models' dependence on categorical features, which vary in length and complicate GPU utilization. We introduce Jagged Feature Interaction Kernels, a novel method designed to extract fine-grained insights from long categorical features through efficient handling of dynamically sized tensors. We further enhance the performance of attention mechanisms by integrating Jagged tensors with Flash Attention. Our novel Jagged Flash Attention achieves up to 9x speedup and 22x memory reduction compared to dense attention. Notably, it also outperforms dense flash attention, with up to 3x speedup and 53% more memory efficiency. In production models, we observe 10% QPS improvement and 18% memory savings, enabling us to scale our recommendation systems with longer features and more complex architectures.

cs.LG↗

The First Competition on Resource-Limited Infrared Small Target Detection Challenge: Methods and Results

In this paper, we briefly summarize the first competition on resource-limited infrared small target detection (namely, LimitIRSTD). This competition has two tracks, including weakly-supervised infrared small target detection (Track 1) and lightweight infrared small target detection (Track 2). 46 and 60 teams successfully registered and took part in Tracks 1 and Track 2, respectively. The top-performing methods and their results in each track are described with details. This competition inspires the community to explore the tough problems in the application of infrared small target detection, and ultimately promote the deployment of this technology under limited resource.

cs.CV↗

May I Ask a Follow-up Question? Understanding the Benefits of Conversations in Neural Network Explainability

Research in explainable AI (XAI) aims to provide insights into the decision-making process of opaque AI models. To date, most XAI methods offer one-off and static explanations, which cannot cater to the diverse backgrounds and understanding levels of users. With this paper, we investigate if free-form conversations can enhance users' comprehension of static explanations, improve acceptance and trust in the explanation methods, and facilitate human-AI collaboration. Participants are presented with static explanations, followed by a conversation with a human expert regarding the explanations. We measure the effect of the conversation on participants' ability to choose, from three machine learning models, the most accurate one based on explanations and their self-reported comprehension, acceptance, and trust. Empirical results show that conversations significantly improve comprehension, acceptance, trust, and collaboration. Our findings highlight the importance of customized model explanations in the format of free-form conversations and provide insights for the future design of conversational explanations.

cs.HC↗

Async Learned User Embeddings for Ads Delivery Optimization

In recommendation systems, high-quality user embeddings can capture subtle preferences, enable precise similarity calculations, and adapt to changing preferences over time to maintain relevance. The effectiveness of recommendation systems depends on the quality of user embedding. We propose to asynchronously learn high fidelity user embeddings for billions of users each day from sequence based multimodal user activities through a Transformer-like large scale feature learning module. The async learned user representations embeddings (ALURE) are further converted to user similarity graphs through graph learning and then combined with user realtime activities to retrieval highly related ads candidates for the ads delivery system. Our method shows significant gains in both offline and online experiments.

cs.IR↗

Emergent Open-Vocabulary Semantic Segmentation from Off-the-shelf Vision-Language Models

From image-text pairs, large-scale vision-language models (VLMs) learn to implicitly associate image regions with words, which prove effective for tasks like visual question answering. However, leveraging the learned association for open-vocabulary semantic segmentation remains a challenge. In this paper, we propose a simple, yet extremely effective, training-free technique, Plug-and-Play Open-Vocabulary Semantic Segmentation (PnP-OVSS) for this task. PnP-OVSS leverages a VLM with direct text-to-image cross-attention and an image-text matching loss. To balance between over-segmentation and under-segmentation, we introduce Salience Dropout; by iteratively dropping patches that the model is most attentive to, we are able to better resolve the entire extent of the segmentation mask. PnP-OVSS does not require any neural network training and performs hyperparameter tuning without the need for any segmentation annotations, even for a validation set. PnP-OVSS demonstrates substantial improvements over comparable baselines (+26.2% mIoU on Pascal VOC, +20.5% mIoU on MS COCO, +3.1% mIoU on COCO Stuff and +3.0% mIoU on ADE20K). Our codebase is at https://github.com/letitiabanana/PnP-OVSS.

cs.CV↗

Neuro-Symbolic Temporal Point Processes

Our goal is to $\textit{efficiently}$ discover a compact set of temporal logic rules to explain irregular events of interest. We introduce a neural-symbolic rule induction framework within the temporal point process model. The negative log-likelihood is the loss that guides the learning, where the explanatory logic rules and their weights are learned end-to-end in a $\textit{differentiable}$ way. Specifically, predicates and logic rules are represented as $\textit{vector embeddings}$, where the predicate embeddings are fixed and the rule embeddings are trained via gradient descent to obtain the most appropriate compositional representations of the predicate embeddings. To make the rule learning process more efficient and flexible, we adopt a $\textit{sequential covering algorithm}$, which progressively adds rules to the model and removes the event sequences that have been explained until all event sequences have been covered. All the found rules will be fed back to the models for a final rule embedding and weight refinement. Our approach showcases notable efficiency and accuracy across synthetic and real datasets, surpassing state-of-the-art baselines by a wide margin in terms of efficiency.

cs.LG↗

DCDet: Dynamic Cross-based 3D Object Detector

Recently, significant progress has been made in the research of 3D object detection. However, most prior studies have focused on the utilization of center-based or anchor-based label assignment schemes. Alternative label assignment strategies remain unexplored in 3D object detection. We find that the center-based label assignment often fails to generate sufficient positive samples for training, while the anchor-based label assignment tends to encounter an imbalanced issue when handling objects of varying scales. To solve these issues, we introduce a dynamic cross label assignment (DCLA) scheme, which dynamically assigns positive samples for each object from a cross-shaped region, thus providing sufficient and balanced positive samples for training. Furthermore, to address the challenge of accurately regressing objects with varying scales, we put forth a rotation-weighted Intersection over Union (RWIoU) metric to replace the widely used L1 metric in regression loss. Extensive experiments demonstrate the generality and effectiveness of our DCLA and RWIoU-based regression loss. The Code will be available at https://github.com/Say2L/DCDet.git.

cs.CV↗

FFAM: Feature Factorization Activation Map for Explanation of 3D Detectors

LiDAR-based 3D object detection has made impressive progress recently, yet most existing models are black-box, lacking interpretability. Previous explanation approaches primarily focus on analyzing image-based models and are not readily applicable to LiDAR-based 3D detectors. In this paper, we propose a feature factorization activation map (FFAM) to generate high-quality visual explanations for 3D detectors. FFAM employs non-negative matrix factorization to generate concept activation maps and subsequently aggregates these maps to obtain a global visual explanation. To achieve object-specific visual explanations, we refine the global visual explanation using the feature gradient of a target object. Additionally, we introduce a voxel upsampling strategy to align the scale between the activation map and input point cloud. We qualitatively and quantitatively analyze FFAM with multiple detectors on several datasets. Experimental results validate the high-quality visual explanations produced by FFAM. The Code will be available at \url{https://github.com/Say2L/FFAM.git}.

cs.CV↗

New method for coherent imaging using incompatible sources

Non-invasive imaging plays a crucial role in the early detection, diagnosis, and treatment of numerous medical conditions. This article discusses recent advancements in coherent imaging techniques.The article begins by discussing the evolution of CDI technology, focusing on its higher resolution capabilities for detailed analysis and the use of white light in modern systems. Subsequently, advancements in CDI techniques are examined, such as imaging for white matter tract analysis. And its applications in real-time visualization of internal structures is highlighted, along with its application to various samples. Finally introduce a method to use coherent imaging method on incompatible non-coherent sources.

eess.IV↗

What Are We Measuring When We Evaluate Large Vision-Language Models? An Analysis of Latent Factors and Biases

Vision-language (VL) models, pretrained on colossal image-text datasets, have attained broad VL competence that is difficult to evaluate. A common belief is that a small number of VL skills underlie the variety of VL tests. In this paper, we perform a large-scale transfer learning experiment aimed at discovering latent VL skills from data. We reveal interesting characteristics that have important implications for test suite design. First, generation tasks suffer from a length bias, suggesting benchmarks should balance tasks with varying output lengths. Second, we demonstrate that factor analysis successfully identifies reasonable yet surprising VL skill factors, suggesting benchmarks could leverage similar analyses for task selection. Finally, we present a new dataset, OLIVE (https://github.com/jq-zh/olive-dataset), which simulates user instructions in the wild and presents challenges dissimilar to all datasets we tested. Our findings contribute to the design of balanced and broad-coverage vision-language evaluation methods.

cs.CV↗