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Yoshitaka Ushiku

Publications and source records attributed to Yoshitaka Ushiku.

At least 19 recordsLinked to original sources

Am I More Pointwise or Pairwise? Revealing Position Bias in Rubric-Based LLM-as-a-Judge

Large language models are widely employed as evaluators, a paradigm commonly referred to as LLM-as-a-judge. Prior research has predominantly examined point-wise or pair-wise evaluation protocols; in contrast, our focus is on rubric-based evaluation, which has been attracting increasing attention owing to its utility for training models in domains where verification is otherwise difficult. In this work, we show that rubric-based evaluation implicitly resembles a multiple-choice setting and therefore exhibits position bias: LLMs tend to prefer score options that appear at specific positions within the rubric list. Through controlled experiments across multiple models and datasets, we demonstrate that this position bias is consistent. Its direction, however, is model-specific: some judges favor the first option, while others favor the last. We further identify a second, orthogonal axis of bias: when a prompt scores several criteria simultaneously, the ordering of the criteria itself shifts the resulting scores. We additionally explore permuting the order of the rubric options as a means of mitigating position bias, and find that although the bias can be attenuated, improvements in the correlation between model judgments and human annotations are obtained primarily for models that exhibit strong bias. Our results recast rubric-based LLM-as-a-judge as a multiple-choice problem with measurable, model-specific position bias, and we further confirm that only a small number of random order permutations are sufficient to reduce the error introduced by this bias for the majority of models.

cs.CL

Adaptable Method for Crystal Design across Diverse Constraints and Objectives with Pretrained Property Predictors

Advanced crystal design can accelerate materials discovery across applications from photovoltaics to spintronics. Practical design must satisfy multiple properties and physical constraints, yet existing machine-learning-based approaches to such design often depend on large datasets, retraining, or task-specific generators. Here, we show that direct predictor-guided gradient optimization enables data-efficient, constraint-rich crystal design by combining off-the-shelf predictors with site-wise element masks, template initialization, and task-specific losses. In perovskites, it outperformed generative and Bayesian baselines under three targets -- band gap, formation energy, and tolerance factor -- and two hard constraints. DFT assessment further showed band-gap targeting competitive with a leading generative model despite using predictors trained on roughly one-tenth of the data. By flexibly combining pretrained predictors with application-oriented masks and custom losses, the same framework supported half-metal design. Such modularity could help researchers and engineers translate diverse application requirements directly into optimized candidate crystals with minimal computational cost.

cond-mat.mtrl-sci

Robust and Resilient Soft Robotic Object Insertion with Compliance-Enabled Contact Formation and Failure Recovery

Object insertion tasks are prone to failure under pose uncertainty and environmental variation, often requiring manual fine-tuning or controller retraining. We present a novel approach for robust and resilient object insertion using a passively compliant soft wrist that enables safe contact absorption through large deformations, without high-frequency control or force sensing. Our method structures insertion as compliance-enabled contact formations, sequential contact states that progressively constrain degrees of freedom, and integrates automated failure recovery strategies. Our key insight is that wrist compliance permits safe, repeated recovery attempts; hence, we refer to it as compliance-enabled failure recovery. We employ a pre-trained vision-language model (VLM) that assesses each skill execution from terminal poses and images, identifies failure modes, and proposes recovery actions by selecting skills and updating goals. In simulation, our method achieved an 83% success rate, recovering from failures induced by randomized conditions, including grasp misalignments up to 5 degrees, hole-pose errors up to 20 mm, fivefold increases in friction, and unseen square/rectangular pegs, and we further validated the approach on a real robot. Project page is available at https://omron-sinicx.github.io/compliance-enabled-failure-recovery/.

cs.RO

SCU-Hand with Integrated Single-Sheet Valve: A Funnel-Shaped Robotic Hand for Milligram-Scale Powder Handling

Laboratory Automation (LA) has the potential to accelerate solid-state materials discovery by enabling continuous robotic operation without human intervention. While robotic systems have been developed for tasks such as powder grinding and X-ray diffraction (XRD) analysis, fully automating powder handling at the milligram scale remains a significant challenge due to the complex flow dynamics of powders and the diversity of laboratory tasks. To address this challenge, this study proposes the SCU-Hand-SV (Soft Conical Universal Robotic Hand with Single-sheet Valve), which preserves the softness and conical sheet designs in prior work while incorporating a controllable valve at the cone apex to enable precise, incremental dispensing of milligram-scale powder quantities. The SCU-Hand-SV is integrated with an external balance through a feedback control system based on a model of powder flow and online parameter identification. Experimental evaluations with glass beads, monosodium glutamate, and titanium dioxide demonstrated that 80% of the trials achieved an error within -2 mg to +2 mg, and the maximum error observed was approximately 20 mg across a target range of 20 mg to 3 g. In addition, by incorporating flow prediction models commonly used for hoppers and performing online parameter identification, the system is able to adapt to variations in powder dynamics. Compared to direct PID control, the proposed model-based control significantly improved both accuracy and convergence speed. These results highlight the potential of the proposed system to enable efficient and flexible powder weighing, with scalability toward larger quantities and applicability to a broad range of laboratory automation tasks.

cs.RO

SciPostLayoutTree: A Dataset for Structural Analysis of Scientific Posters

Scientific posters play a vital role in academic communication by presenting ideas through visual summaries. Analyzing reading order and parent-child relations of posters is essential for building structure-aware interfaces that facilitate clear and accurate understanding of research content. Despite their prevalence in academic communication, posters remain underexplored in structural analysis research, which has primarily focused on papers. To address this gap, we constructed SciPostLayoutTree, a dataset of approximately 8,000 posters annotated with reading order and parent-child relations. Compared to an existing structural analysis dataset, SciPostLayoutTree contains more instances of spatially challenging relations, including upward, horizontal, and long-distance relations. As a solution to these challenges, we develop Layout Tree Decoder, which incorporates visual features as well as bounding box features including position and category information. The model also uses beam search to predict relations while capturing sequence-level plausibility. Experimental results demonstrate that our model improves the prediction accuracy for spatially challenging relations and establishes a solid baseline for poster structure analysis. The dataset is publicly available at https://huggingface.co/datasets/omron-sinicx/scipostlayouttree. The code is also publicly available at https://github.com/omron-sinicx/scipostlayouttree.

cs.CV

SciPostGen: Bridging the Gap between Scientific Papers and Poster Layouts

As the number of scientific papers continues to grow, there is a demand for approaches that can effectively convey research findings, with posters serving as a key medium for presenting paper contents. Poster layouts determine how effectively research is communicated and understood, highlighting their growing importance. In particular, a gap remains in understanding how papers correspond to the layouts that present them, which calls for datasets with paired annotations at scale. To bridge this gap, we introduce SciPostGen, a large-scale dataset for understanding and generating poster layouts from scientific papers. Our analyses based on SciPostGen show that paper structures are associated with the number of layout elements in posters. Based on this insight, we explore a framework, Retrieval-Augmented Poster Layout Generation, which retrieves layouts consistent with a given paper and uses them as guidance for layout generation. We conducted experiments under two conditions: with and without layout constraints typically specified by poster creators. The results show that the retriever estimates layouts aligned with paper structures, and our framework generates layouts that also satisfy given constraints. The dataset and code are publicly available at https://omron-sinicx.github.io/paper2layout/.

cs.CV

HalDec-Bench: Benchmarking Hallucination Detector in Image Captioning

Hallucination detection in captions (HalDec) assesses a vision-language model's ability to correctly align image content with text by identifying errors in captions that misrepresent the image. Beyond evaluation, effective hallucination detection is also essential for curating high-quality image-caption pairs used to train VLMs. However, the generalizability of VLMs as hallucination detectors across different captioning models and hallucination types remains unclear due to the lack of a comprehensive benchmark. In this work, we introduce HalDec-Bench, a benchmark designed to evaluate hallucination detectors in a principled and interpretable manner. HalDec-Bench contains captions generated by diverse VLMs together with human annotations indicating the presence of hallucinations, detailed hallucination-type categories, and segment-level labels. The benchmark provides tasks with a wide range of difficulty levels and reveals performance differences across models that are not visible in existing multimodal reasoning or alignment benchmarks. Our analysis further uncovers two key findings. First, detectors tend to recognize sentences appearing at the beginning of a response as correct, regardless of their actual correctness. Second, our experiments suggest that dataset noise can be substantially reduced by using strong VLMs as filters while employing recent VLMs as caption generators. Our project page is available at https://dahlian00.github.io/HalDec-Bench-Page/.

cs.CV

HalDec-Bench: Benchmarking Hallucination Detector in Image Captioning

Hallucination detection in captions (HalDec) assesses a vision-language model's ability to correctly align image content with text by identifying errors in captions that misrepresent the image. Beyond evaluation, effective hallucination detection is also essential for curating high-quality image-caption pairs used to train VLMs. However, the generalizability of VLMs as hallucination detectors across different captioning models and hallucination types remains unclear due to the lack of a comprehensive benchmark. In this work, we introduce HalDec-Bench, a benchmark designed to evaluate hallucination detectors in a principled and interpretable manner. HalDec-Bench contains captions generated by diverse VLMs together with human annotations indicating the presence of hallucinations, detailed hallucination-type categories, and segment-level labels. The benchmark provides tasks with a wide range of difficulty levels and reveals performance differences across models that are not visible in existing multimodal reasoning or alignment benchmarks. Our analysis further uncovers two key findings. First, detectors tend to recognize sentences appearing at the beginning of a response as correct, regardless of their actual correctness. Second, our experiments suggest that dataset noise can be substantially reduced by using strong VLMs as filters while employing recent VLMs as caption generators. Our project page is available at https://dahlian00.github.io/HalDec-Bench-Page/.

cs.CV

MaterialFigBENCH: benchmark dataset with figures for evaluating college-level materials science problem-solving abilities of multimodal large language models

We present MaterialFigBench, a benchmark dataset designed to evaluate the ability of multimodal large language models (LLMs) to solve university-level materials science problems that require accurate interpretation of figures. Unlike existing benchmarks that primarily rely on textual representations, MaterialFigBench focuses on problems in which figures such as phase diagrams, stress-strain curves, Arrhenius plots, diffraction patterns, and microstructural schematics are indispensable for deriving correct answers. The dataset consists of 137 free-response problems adapted from standard materials science textbooks, covering a broad range of topics including crystal structures, mechanical properties, diffusion, phase diagrams, phase transformations, and electronic properties of materials. To address unavoidable ambiguity in reading numerical values from images, expert-defined answer ranges are provided where appropriate. We evaluate several state-of-the-art multimodal LLMs, including ChatGPT and GPT models accessed via OpenAI APIs, and analyze their performance across problem categories and model versions. The results reveal that, although overall accuracy improves with model updates, current LLMs still struggle with genuine visual understanding and quantitative interpretation of materials science figures. In many cases, correct answers are obtained by relying on memorized domain knowledge rather than by reading the provided images. MaterialFigBench highlights persistent weaknesses in visual reasoning, numerical precision, and significant-digit handling, while also identifying problem types where performance has improved. This benchmark provides a systematic and domain-specific foundation for advancing multimodal reasoning capabilities in materials science and for guiding the development of future LLMs with stronger figure-based understanding.

cs.CL

WarrantScore: Modeling Warrants between Claims and Evidence for Substantiation Evaluation in Peer Reviews

The scientific peer-review process is facing a shortage of human resources due to the rapid growth in the number of submitted papers. The use of language models to reduce the human cost of peer review has been actively explored as a potential solution to this challenge. A method has been proposed to evaluate the level of substantiation in scientific reviews in a manner that is interpretable by humans. This method extracts the core components of an argument, claims and evidence, and assesses the level of substantiation based on the proportion of claims supported by evidence. The level of substantiation refers to the extent to which claims are based on objective facts. However, when assessing the level of substantiation, simply detecting the presence or absence of supporting evidence for a claim is insufficient; it is also necessary to accurately assess the logical inference between a claim and its evidence. We propose a new evaluation metric for scientific review comments that assesses the logical inference between claims and evidence. Experimental results show that the proposed method achieves a higher correlation with human scores than conventional methods, indicating its potential to better support the efficiency of the peer-review process.

cs.CL

Cooperative Design Optimization through Natural Language Interaction

Designing successful interactions requires identifying optimal design parameters. To do so, designers often conduct iterative user testing and exploratory trial-and-error. This involves balancing multiple objectives in a high-dimensional space, making the process time-consuming and cognitively demanding. System-led optimization methods, such as those based on Bayesian optimization, can determine for designers which parameters to test next. However, they offer limited opportunities for designers to intervene in the optimization process, negatively impacting the designer's experience. We propose a design optimization framework that enables natural language interactions between designers and the optimization system, facilitating cooperative design optimization. This is achieved by integrating system-led optimization methods with Large Language Models (LLMs), allowing designers to intervene in the optimization process and better understand the system's reasoning. Experimental results show that our method provides higher user agency than a system-led method and shows promising optimization performance compared to manual design. It also matches the performance of an existing cooperative method with lower cognitive load.

cs.HC

AgroBench: Vision-Language Model Benchmark in Agriculture

Precise automated understanding of agricultural tasks such as disease identification is essential for sustainable crop production. Recent advances in vision-language models (VLMs) are expected to further expand the range of agricultural tasks by facilitating human-model interaction through easy, text-based communication. Here, we introduce AgroBench (Agronomist AI Benchmark), a benchmark for evaluating VLM models across seven agricultural topics, covering key areas in agricultural engineering and relevant to real-world farming. Unlike recent agricultural VLM benchmarks, AgroBench is annotated by expert agronomists. Our AgroBench covers a state-of-the-art range of categories, including 203 crop categories and 682 disease categories, to thoroughly evaluate VLM capabilities. In our evaluation on AgroBench, we reveal that VLMs have room for improvement in fine-grained identification tasks. Notably, in weed identification, most open-source VLMs perform close to random. With our wide range of topics and expert-annotated categories, we analyze the types of errors made by VLMs and suggest potential pathways for future VLM development. Our dataset and code are available at https://dahlian00.github.io/AgroBenchPage/ .

cs.CV

CaptionSmiths: Flexibly Controlling Language Pattern in Image Captioning

An image captioning model flexibly switching its language pattern, e.g., descriptiveness and length, should be useful since it can be applied to diverse applications. However, despite the dramatic improvement in generative vision-language models, fine-grained control over the properties of generated captions is not easy due to two reasons: (i) existing models are not given the properties as a condition during training and (ii) existing models cannot smoothly transition its language pattern from one state to the other. Given this challenge, we propose a new approach, CaptionSmiths, to acquire a single captioning model that can handle diverse language patterns. First, our approach quantifies three properties of each caption, length, descriptiveness, and uniqueness of a word, as continuous scalar values, without human annotation. Given the values, we represent the conditioning via interpolation between two endpoint vectors corresponding to the extreme states, e.g., one for a very short caption and one for a very long caption. Empirical results demonstrate that the resulting model can smoothly change the properties of the output captions and show higher lexical alignment than baselines. For instance, CaptionSmiths reduces the error in controlling caption length by 506\% despite better lexical alignment. Code will be available on https://github.com/omron-sinicx/captionsmiths.

cs.CV

Bridging Text and Crystal Structures: Literature-driven Contrastive Learning for Materials Science

Understanding structure-property relationships is an essential yet challenging aspect of materials discovery and development. To facilitate this process, recent studies in materials informatics have sought latent embedding spaces of crystal structures to capture their similarities based on properties and functionalities. However, abstract feature-based embedding spaces are human-unfriendly and prevent intuitive and efficient exploration of the vast materials space. Here we introduce Contrastive Language--Structure Pre-training (CLaSP), a learning paradigm for constructing crossmodal embedding spaces between crystal structures and texts. CLaSP aims to achieve material embeddings that 1) capture property- and functionality-related similarities between crystal structures and 2) allow intuitive retrieval of materials via user-provided description texts as queries. To compensate for the lack of sufficient datasets linking crystal structures with textual descriptions, CLaSP leverages a dataset of over 400,000 published crystal structures and corresponding publication records, including paper titles and abstracts, for training. We demonstrate the effectiveness of CLaSP through text-based crystal structure screening and embedding space visualization.

cs.LG

Perspective on Utilizing Foundation Models for Laboratory Automation in Materials Research

This review explores the potential of foundation models to advance laboratory automation in the materials and chemical sciences. It emphasizes the dual roles of these models: cognitive functions for experimental planning and data analysis, and physical functions for hardware operations. While traditional laboratory automation has relied heavily on specialized, rigid systems, foundation models offer adaptability through their general-purpose intelligence and multimodal capabilities. Recent advancements have demonstrated the feasibility of using large language models (LLMs) and multimodal robotic systems to handle complex and dynamic laboratory tasks. However, significant challenges remain, including precision manipulation of hardware, integration of multimodal data, and ensuring operational safety. This paper outlines a roadmap highlighting future directions, advocating for close interdisciplinary collaboration, benchmark establishment, and strategic human-AI integration to realize fully autonomous experimental laboratories.

cs.RO

SCU-Hand: Soft Conical Universal Robotic Hand for Scooping Granular Media from Containers of Various Sizes

Automating small-scale experiments in materials science presents challenges due to the heterogeneous nature of experimental setups. This study introduces the SCU-Hand (Soft Conical Universal Robot Hand), a novel end-effector designed to automate the task of scooping powdered samples from various container sizes using a robotic arm. The SCU-Hand employs a flexible, conical structure that adapts to different container geometries through deformation, maintaining consistent contact without complex force sensing or machine learning-based control methods. Its reconfigurable mechanism allows for size adjustment, enabling efficient scooping from diverse container types. By combining soft robotics principles with a sheet-morphing design, our end-effector achieves high flexibility while retaining the necessary stiffness for effective powder manipulation. We detail the design principles, fabrication process, and experimental validation of the SCU-Hand. Experimental validation showed that the scooping capacity is about 20% higher than that of a commercial tool, with a scooping performance of more than 95% for containers of sizes between 67 mm to 110 mm. This research contributes to laboratory automation by offering a cost-effective, easily implementable solution for automating tasks such as materials synthesis and characterization processes.

cs.RO

Where is the answer? Investigating Positional Bias in Language Model Knowledge Extraction

Large language models require updates to remain up-to-date or adapt to new domains by fine-tuning them with new documents. One key is memorizing the latest information in a way that the memorized information is extractable with a query prompt. However, LLMs suffer from a phenomenon called perplexity curse; despite minimizing document perplexity during fine-tuning, LLMs struggle to extract information through a prompt sentence. In this new knowledge acquisition and extraction, we find a very intriguing fact that LLMs can accurately answer questions about the first sentence, but they struggle to extract information described in the middle or end of the documents used for fine-tuning. Our study suggests that the auto-regressive training causes this issue; each token is prompted by reliance on all previous tokens, which hinders the model from recalling information from training documents by question prompts. To conduct the in-depth study, we publish both synthetic and real datasets, enabling the evaluation of the QA performance w.r.t. the position of the corresponding answer in a document. Our investigation shows that even a large model suffers from the perplexity curse, but regularization such as denoising auto-regressive loss can enhance the information extraction from diverse positions. These findings will be (i) a key to improving knowledge extraction from LLMs and (ii) new elements to discuss the trade-off between RAG and fine-tuning in adapting LLMs to a new domain.

cs.CL

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