arXiv subjects

Yoshitaka Ushiku

Publications and source records attributed to Yoshitaka Ushiku.

At least 37 records · Page 2Linked to original sources

arXiv2025

CrystalFramer: Rethinking the Role of Frames for SE(3)-Invariant Crystal Structure Modeling

Crystal structure modeling with graph neural networks is essential for various applications in materials informatics, and capturing SE(3)-invariant geometric features is a fundamental requirement for these networks. A straightforward approach is to model with orientation-standardized structures through structure-aligned coordinate systems, or"frames." However, unlike molecules, determining frames for crystal structures is challenging due to their infinite and highly symmetric nature. In particular, existing methods rely on a statically fixed frame for each structure, determined solely by its structural information, regardless of the task under consideration. Here, we rethink the role of frames, questioning whether such simplistic alignment with the structure is sufficient, and propose the concept of dynamic frames. While accommodating the infinite and symmetric nature of crystals, these frames provide each atom with a dynamic view of its local environment, focusing on actively interacting atoms. We demonstrate this concept by utilizing the attention mechanism in a recent transformer-based crystal encoder, resulting in a new architecture called CrystalFramer. Extensive experiments show that CrystalFramer outperforms conventional frames and existing crystal encoders in various crystal property prediction tasks.

cs.LG↗

arXiv2024

SBS Figures: Pre-training Figure QA from Stage-by-Stage Synthesized Images

Building a large-scale figure QA dataset requires a considerable amount of work, from gathering and selecting figures to extracting attributes like text, numbers, and colors, and generating QAs. Although recent developments in LLMs have led to efforts to synthesize figures, most of these focus primarily on QA generation. Additionally, creating figures directly using LLMs often encounters issues such as code errors, similar-looking figures, and repetitive content in figures. To address this issue, we present SBSFigures (Stage-by-Stage Synthetic Figures), a dataset for pre-training figure QA. Our proposed pipeline enables the creation of chart figures with complete annotations of the visualized data and dense QA annotations without any manual annotation process. Our stage-by-stage pipeline makes it possible to create diverse topic and appearance figures efficiently while minimizing code errors. Our SBSFigures demonstrate a strong pre-training effect, making it possible to achieve efficient training with a limited amount of real-world chart data starting from our pre-trained weights.

cs.CV↗

arXiv2024

Exo2EgoDVC: Dense Video Captioning of Egocentric Procedural Activities Using Web Instructional Videos

We propose a novel benchmark for cross-view knowledge transfer of dense video captioning, adapting models from web instructional videos with exocentric views to an egocentric view. While dense video captioning (predicting time segments and their captions) is primarily studied with exocentric videos (e.g., YouCook2), benchmarks with egocentric videos are restricted due to data scarcity. To overcome the limited video availability, transferring knowledge from abundant exocentric web videos is demanded as a practical approach. However, learning the correspondence between exocentric and egocentric views is difficult due to their dynamic view changes. The web videos contain shots showing either full-body or hand regions, while the egocentric view is constantly shifting. This necessitates the in-depth study of cross-view transfer under complex view changes. To this end, we first create a real-life egocentric dataset (EgoYC2) whose captions follow the definition of YouCook2 captions, enabling transfer learning between these datasets with access to their ground-truth. To bridge the view gaps, we propose a view-invariant learning method using adversarial training, which consists of pre-training and fine-tuning stages. Our experiments confirm the effectiveness of overcoming the view change problem and knowledge transfer to egocentric views. Our benchmark pushes the study of cross-view transfer into a new task domain of dense video captioning and envisions methodologies that describe egocentric videos in natural language.

cs.CV↗

arXiv2024

MaterialBENCH: Evaluating College-Level Materials Science Problem-Solving Abilities of Large Language Models

A college-level benchmark dataset for large language models (LLMs) in the materials science field, MaterialBENCH, is constructed. This dataset consists of problem-answer pairs, based on university textbooks. There are two types of problems: one is the free-response answer type, and the other is the multiple-choice type. Multiple-choice problems are constructed by adding three incorrect answers as choices to a correct answer, so that LLMs can choose one of the four as a response. Most of the problems for free-response answer and multiple-choice types overlap except for the format of the answers. We also conduct experiments using the MaterialBENCH on LLMs, including ChatGPT-3.5, ChatGPT-4, Bard (at the time of the experiments), and GPT-3.5 and GPT-4 with the OpenAI API. The differences and similarities in the performance of LLMs measured by the MaterialBENCH are analyzed and discussed. Performance differences between the free-response type and multiple-choice type in the same models and the influence of using system massages on multiple-choice problems are also studied. We anticipate that MaterialBENCH will encourage further developments of LLMs in reasoning abilities to solve more complicated problems and eventually contribute to materials research and discovery.

cs.CL↗

arXiv2024

COM Kitchens: An Unedited Overhead-view Video Dataset as a Vision-Language Benchmark

Procedural video understanding is gaining attention in the vision and language community. Deep learning-based video analysis requires extensive data. Consequently, existing works often use web videos as training resources, making it challenging to query instructional contents from raw video observations. To address this issue, we propose a new dataset, COM Kitchens. The dataset consists of unedited overhead-view videos captured by smartphones, in which participants performed food preparation based on given recipes. Fixed-viewpoint video datasets often lack environmental diversity due to high camera setup costs. We used modern wide-angle smartphone lenses to cover cooking counters from sink to cooktop in an overhead view, capturing activity without in-person assistance. With this setup, we collected a diverse dataset by distributing smartphones to participants. With this dataset, we propose the novel video-to-text retrieval task Online Recipe Retrieval (OnRR) and new video captioning domain Dense Video Captioning on unedited Overhead-View videos (DVC-OV). Our experiments verified the capabilities and limitations of current web-video-based SOTA methods in handling these tasks.

cs.CV↗

arXiv2024

SciPostLayout: A Dataset for Layout Analysis and Layout Generation of Scientific Posters

Scientific posters are used to present the contributions of scientific papers effectively in a graphical format. However, creating a well-designed poster that efficiently summarizes the core of a paper is both labor-intensive and time-consuming. A system that can automatically generate well-designed posters from scientific papers would reduce the workload of authors and help readers understand the outline of the paper visually. Despite the demand for poster generation systems, only a limited research has been conduced due to the lack of publicly available datasets. Thus, in this study, we built the SciPostLayout dataset, which consists of 7,855 scientific posters and manual layout annotations for layout analysis and generation. SciPostLayout also contains 100 scientific papers paired with the posters. All of the posters and papers in our dataset are under the CC-BY license and are publicly available. As benchmark tests for the collected dataset, we conducted experiments for layout analysis and generation utilizing existing computer vision models and found that both layout analysis and generation of posters using SciPostLayout are more challenging than with scientific papers. We also conducted experiments on generating layouts from scientific papers to demonstrate the potential of utilizing LLM as a scientific poster generation system. The dataset is publicly available at https://huggingface.co/datasets/omron-sinicx/scipostlayout_v2. The code is also publicly available at https://github.com/omron-sinicx/scipostlayout.

cs.CV↗

arXiv2024

AdaCoder: Adaptive Prompt Compression for Programmatic Visual Question Answering

Visual question answering aims to provide responses to natural language questions given visual input. Recently, visual programmatic models (VPMs), which generate executable programs to answer questions through large language models (LLMs), have attracted research interest. However, they often require long input prompts to provide the LLM with sufficient API usage details to generate relevant code. To address this limitation, we propose AdaCoder, an adaptive prompt compression framework for VPMs. AdaCoder operates in two phases: a compression phase and an inference phase. In the compression phase, given a preprompt that describes all API definitions in the Python language with example snippets of code, a set of compressed preprompts is generated, each depending on a specific question type. In the inference phase, given an input question, AdaCoder predicts the question type and chooses the appropriate corresponding compressed preprompt to generate code to answer the question. Notably, AdaCoder employs a single frozen LLM and pre-defined prompts, negating the necessity of additional training and maintaining adaptability across different powerful black-box LLMs such as GPT and Claude. In experiments, we apply AdaCoder to ViperGPT and demonstrate that it reduces token length by 71.1%, while maintaining or even improving the performance of visual question answering.

cs.AI↗

arXiv2024

Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding

Predicting physical properties of materials from their crystal structures is a fundamental problem in materials science. In peripheral areas such as the prediction of molecular properties, fully connected attention networks have been shown to be successful. However, unlike these finite atom arrangements, crystal structures are infinitely repeating, periodic arrangements of atoms, whose fully connected attention results in infinitely connected attention. In this work, we show that this infinitely connected attention can lead to a computationally tractable formulation, interpreted as neural potential summation, that performs infinite interatomic potential summations in a deeply learned feature space. We then propose a simple yet effective Transformer-based encoder architecture for crystal structures called Crystalformer. Compared to an existing Transformer-based model, the proposed model requires only 29.4% of the number of parameters, with minimal modifications to the original Transformer architecture. Despite the architectural simplicity, the proposed method outperforms state-of-the-art methods for various property regression tasks on the Materials Project and JARVIS-DFT datasets.

cs.LG↗

arXiv2024

TNF: Tri-branch Neural Fusion for Multimodal Medical Data Classification

This paper presents a Tri-branch Neural Fusion (TNF) approach designed for classifying multimodal medical images and tabular data. It also introduces two solutions to address the challenge of label inconsistency in multimodal classification. Traditional methods in multi-modality medical data classification often rely on single-label approaches, typically merging features from two distinct input modalities. This becomes problematic when features are mutually exclusive or labels differ across modalities, leading to reduced accuracy. To overcome this, our TNF approach implements a tri-branch framework that manages three separate outputs: one for image modality, another for tabular modality, and a third hybrid output that fuses both image and tabular data. The final decision is made through an ensemble method that integrates likelihoods from all three branches. We validate the effectiveness of TNF through extensive experiments, which illustrate its superiority over traditional fusion and ensemble methods in various convolutional neural networks and transformer-based architectures across multiple datasets.

cs.CV↗

arXiv2024

Rethinking Symbolic Regression Datasets and Benchmarks for Scientific Discovery

This paper revisits datasets and evaluation criteria for Symbolic Regression (SR), specifically focused on its potential for scientific discovery. Focused on a set of formulas used in the existing datasets based on Feynman Lectures on Physics, we recreate 120 datasets to discuss the performance of symbolic regression for scientific discovery (SRSD). For each of the 120 SRSD datasets, we carefully review the properties of the formula and its variables to design reasonably realistic sampling ranges of values so that our new SRSD datasets can be used for evaluating the potential of SRSD such as whether or not an SR method can (re)discover physical laws from such datasets. We also create another 120 datasets that contain dummy variables to examine whether SR methods can choose necessary variables only. Besides, we propose to use normalized edit distances (NED) between a predicted equation and the true equation trees for addressing a critical issue that existing SR metrics are either binary or errors between the target values and an SR model's predicted values for a given input. We conduct benchmark experiments on our new SRSD datasets using various representative SR methods. The experimental results show that we provide a more realistic performance evaluation, and our user study shows that the NED correlates with human judges significantly more than an existing SR metric. We publish repositories of our code and 240 SRSD datasets.

cs.LG↗

arXiv2024

Vision-Language Interpreter for Robot Task Planning

Large language models (LLMs) are accelerating the development of language-guided robot planners. Meanwhile, symbolic planners offer the advantage of interpretability. This paper proposes a new task that bridges these two trends, namely, multimodal planning problem specification. The aim is to generate a problem description (PD), a machine-readable file used by the planners to find a plan. By generating PDs from language instruction and scene observation, we can drive symbolic planners in a language-guided framework. We propose a Vision-Language Interpreter (ViLaIn), a new framework that generates PDs using state-of-the-art LLM and vision-language models. ViLaIn can refine generated PDs via error message feedback from the symbolic planner. Our aim is to answer the question: How accurately can ViLaIn and the symbolic planner generate valid robot plans? To evaluate ViLaIn, we introduce a novel dataset called the problem description generation (ProDG) dataset. The framework is evaluated with four new evaluation metrics. Experimental results show that ViLaIn can generate syntactically correct problems with more than 99\% accuracy and valid plans with more than 58\% accuracy. Our code and dataset are available at https://github.com/omron-sinicx/ViLaIn.

cs.RO↗

arXiv2024

Recipe Generation from Unsegmented Cooking Videos

This paper tackles recipe generation from unsegmented cooking videos, a task that requires agents to (1) extract key events in completing the dish and (2) generate sentences for the extracted events. Our task is similar to dense video captioning (DVC), which aims at detecting events thoroughly and generating sentences for them. However, unlike DVC, in recipe generation, recipe story awareness is crucial, and a model should extract an appropriate number of events in the correct order and generate accurate sentences based on them. We analyze the output of the DVC model and confirm that although (1) several events are adoptable as a recipe story, (2) the generated sentences for such events are not grounded in the visual content. Based on this, we set our goal to obtain correct recipes by selecting oracle events from the output events and re-generating sentences for them. To achieve this, we propose a transformer-based multimodal recurrent approach of training an event selector and sentence generator for selecting oracle events from the DVC's events and generating sentences for them. In addition, we extend the model by including ingredients to generate more accurate recipes. The experimental results show that the proposed method outperforms state-of-the-art DVC models. We also confirm that, by modeling the recipe in a story-aware manner, the proposed model outputs the appropriate number of events in the correct order.

cs.MM↗

arXiv2023

Neural Structure Fields with Application to Crystal Structure Autoencoders

Representing crystal structures of materials to facilitate determining them via neural networks is crucial for enabling machine-learning applications involving crystal structure estimation. Among these applications, the inverse design of materials can contribute to explore materials with desired properties without relying on luck or serendipity. We propose neural structure fields (NeSF) as an accurate and practical approach for representing crystal structures using neural networks. Inspired by the concepts of vector fields in physics and implicit neural representations in computer vision, the proposed NeSF considers a crystal structure as a continuous field rather than as a discrete set of atoms. Unlike existing grid-based discretized spatial representations, the NeSF overcomes the tradeoff between spatial resolution and computational complexity and can represent any crystal structure. We propose an autoencoder of crystal structures that can recover various crystal structures, such as those of perovskite structure materials and cuprate superconductors. Extensive quantitative results demonstrate the superior performance of the NeSF compared with the existing grid-based approach.

cond-mat.mtrl-sci↗

arXiv2023

A Transformer Model for Symbolic Regression towards Scientific Discovery

Symbolic Regression (SR) searches for mathematical expressions which best describe numerical datasets. This allows to circumvent interpretation issues inherent to artificial neural networks, but SR algorithms are often computationally expensive. This work proposes a new Transformer model aiming at Symbolic Regression particularly focused on its application for Scientific Discovery. We propose three encoder architectures with increasing flexibility but at the cost of column-permutation equivariance violation. Training results indicate that the most flexible architecture is required to prevent from overfitting. Once trained, we apply our best model to the SRSD datasets (Symbolic Regression for Scientific Discovery datasets) which yields state-of-the-art results using the normalized tree-based edit distance, at no extra computational cost.

cs.LG↗

arXiv2023

3D Point Cloud Registration with Learning-based Matching Algorithm

We present a novel differential matching algorithm for 3D point cloud registration. Instead of only optimizing the feature extractor for a matching algorithm, we propose a learning-based matching module optimized to the jointly-trained feature extractor. We focused on edge-wise feature-forwarding architectures, which are memory-consuming but can avoid the over-smoothing effect that GNNs suffer. We improve its memory efficiency to scale it for point cloud registration while investigating the best way of connecting it to the feature extractor. Experimental results show our matching module's significant impact on performance improvement in rigid/non-rigid and whole/partial point cloud registration datasets with multiple contemporary feature extractors. For example, our module boosted the current SOTA method, RoITr, by +5.4%, and +7.2% in the NFMR metric and +6.1% and +8.5% in the IR metric on the 4DMatch and 4DLoMatch datasets, respectively.

cs.CV↗

arXiv2023

WeaveNet for Approximating Two-sided Matching Problems

Matching, a task to optimally assign limited resources under constraints, is a fundamental technology for society. The task potentially has various objectives, conditions, and constraints; however, the efficient neural network architecture for matching is underexplored. This paper proposes a novel graph neural network (GNN), \textit{WeaveNet}, designed for bipartite graphs. Since a bipartite graph is generally dense, general GNN architectures lose node-wise information by over-smoothing when deeply stacked. Such a phenomenon is undesirable for solving matching problems. WeaveNet avoids it by preserving edge-wise information while passing messages densely to reach a better solution. To evaluate the model, we approximated one of the \textit{strongly NP-hard} problems, \textit{fair stable matching}. Despite its inherent difficulties and the network's general purpose design, our model reached a comparative performance with state-of-the-art algorithms specially designed for stable matching for small numbers of agents.

cs.LG↗

arXiv2023

A Critical Look at the Current Usage of Foundation Model for Dense Recognition Task

In recent years large model trained on huge amount of cross-modality data, which is usually be termed as foundation model, achieves conspicuous accomplishment in many fields, such as image recognition and generation. Though achieving great success in their original application case, it is still unclear whether those foundation models can be applied to other different downstream tasks. In this paper, we conduct a short survey on the current methods for discriminative dense recognition tasks, which are built on the pretrained foundation model. And we also provide some preliminary experimental analysis of an existing open-vocabulary segmentation method based on Stable Diffusion, which indicates the current way of deploying diffusion model for segmentation is not optimal. This aims to provide insights for future research on adopting foundation model for downstream task.

cs.CV↗

arXiv2023

Noisy Universal Domain Adaptation via Divergence Optimization for Visual Recognition

To transfer the knowledge learned from a labeled source domain to an unlabeled target domain, many studies have worked on universal domain adaptation (UniDA), where there is no constraint on the label sets of the source domain and target domain. However, the existing UniDA methods rely on source samples with correct annotations. Due to the limited resources in the real world, it is difficult to obtain a large amount of perfectly clean labeled data in a source domain in some applications. As a result, we propose a novel realistic scenario named Noisy UniDA, in which classifiers are trained using noisy labeled data from the source domain as well as unlabeled domain data from the target domain that has an uncertain class distribution. A multi-head convolutional neural network framework is proposed in this paper to address all of the challenges faced in the Noisy UniDA at once. Our network comprises a single common feature generator and multiple classifiers with various decision bounds. We can detect noisy samples in the source domain, identify unknown classes in the target domain, and align the distribution of the source and target domains by optimizing the divergence between the outputs of the various classifiers. The proposed method outperformed the existing methods in most of the settings after a thorough analysis of the various domain adaption scenarios. The source code is available at \url{https://github.com/YU1ut/Divergence-Optimization}.

cs.CV↗