Naoya Chiba

Yoshitomo Matsubara, Naoya Chiba, Ryo Igarashi et al.

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.

Koya Sakamoto, Taiki Miyanishi, Daichi Azuma et al.

Visual search in 3D environments requires embodied agents to actively explore their surroundings and acquire task-relevant evidence. However, existing visual search and embodied AI benchmarks, including EQA, typically rely on static observations or constrained egocentric motion, and thus do not explicitly evaluate fine-grained viewpoint-dependent phenomena that arise under unrestricted 5-DoF viewpoint control in real-world 3D environments, such as visibility changes caused by vertical viewpoint shifts, revealing contents inside containers, and disambiguating object attributes that are only observable from specific angles. To address this limitation, we introduce {E3VS-Bench}, a benchmark for embodied 3D visual search where agents must control their viewpoints in 5-DoF to gather viewpoint-dependent evidence for question answering. E3VS-Bench consists of 99 high-fidelity 3D scenes reconstructed using 3D Gaussian Splatting and 2,014 question-driven episodes. 3D Gaussian Splatting enables photorealistic free-viewpoint rendering that preserves fine-grained visual details (e.g., small text and subtle attributes) often degraded in mesh-based simulators, thereby allowing the construction of questions that cannot be answered from a single view and instead require active inspection across viewpoints in 5-DoF. We evaluate multiple state-of-the-art VLMs and compare their performance with humans. Despite strong 2D reasoning ability, all models exhibit a substantial gap from humans, highlighting limitations in active perception and coherent viewpoint planning specifically under full 5-DoF viewpoint changes.

Naoya Chiba, Yuta Suzuki, Tatsunori Taniai et al.

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.

Floris Erich, Naoya Chiba, Yusuke Yoshiyasu et al.

We present NeuralLabeling, a labeling approach and toolset for annotating 3D scenes using either bounding boxes or meshes and generating segmentation masks, affordance maps, 2D bounding boxes, 3D bounding boxes, 6DOF object poses, depth maps, and object meshes. NeuralLabeling uses Neural Radiance Fields (NeRF) as a renderer, allowing labeling to be performed using 3D spatial tools while incorporating geometric clues such as occlusions, relying only on images captured from multiple viewpoints as input. To demonstrate the applicability of NeuralLabeling to a practical problem in robotics, we added ground truth depth maps to 30000 frames of transparent object RGB and noisy depth maps of glasses placed in a dishwasher captured using an RGBD sensor, yielding the Dishwasher30k dataset. We show that training a simple deep neural network with supervision using the annotated depth maps yields a higher reconstruction performance than training with the previously applied weakly supervised approach. We also show how instance segmentation and depth completion datasets generated using NeuralLabeling can be incorporated into a robot application for grasping transparent objects placed in a dishwasher with an accuracy of 83.3%, compared to 16.3% without depth completion.

Shusaku Sone, Jiaxin Ma, Atsushi Hashimoto et al.

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.

Floris Erich, Naoya Chiba, Abdullah Mustafa et al.

How can we extract complete geometric models of objects that we encounter in our daily life, without having access to commercial 3D scanners? In this paper we present an automated system for generating geometric models of objects from two or more videos. Our system requires the specification of one known point in at least one frame of each video, which can be automatically determined using a fiducial marker such as a checkerboard or Augmented Reality (AR) marker. The remaining frames are automatically positioned in world space by using Structure-from-Motion techniques. By using multiple videos and merging results, a complete object mesh can be generated, without having to rely on hole filling. Code for our system is available from https://github.com/FlorisE/NeuralMeshing.

Yu Zhu, Naoya Chiba, Koichi Hashimoto

Reliable 3D segmentation is critical for understanding complex scenes with dense layouts and multi-scale objects, as commonly seen in industrial environments. In such scenarios, heavy occlusion weakens geometric boundaries between objects, and large differences in object scale will cause end-to-end models fail to capture both coarse and fine details accurately. Existing 3D point-based methods require costly annotations, while image-guided methods often suffer from semantic inconsistencies across views. To address these challenges, we propose a hierarchical image-guided 3D segmentation framework that progressively refines segmentation from instance-level to part-level. Instance segmentation involves rendering a top-view image and projecting SAM-generated masks prompted by YOLO-World back onto the 3D point cloud. Part-level segmentation is subsequently performed by rendering multi-view images of each instance obtained from the previous stage and applying the same 2D segmentation and back-projection process at each view, followed by Bayesian updating fusion to ensure semantic consistency across views. Experiments on real-world factory data demonstrate that our method effectively handles occlusion and structural complexity, achieving consistently high per-class mIoU scores. Additional evaluations on public dataset confirm the generalization ability of our framework, highlighting its robustness, annotation efficiency, and adaptability to diverse 3D environments.

Xuanmeng Sha, Liyun Zhang, Tomohiro Mashita et al.

Generating holistic co-speech gestures that integrate full-body motion with facial expressions suffers from semantically incoherent coordination on body motion and spatially unstable meaningless movements due to existing part-decomposed or frame-level regression methods, We introduce 3DGesPolicy, a novel action-based framework that reformulates holistic gesture generation as a continuous trajectory control problem through diffusion policy from robotics. By modeling frame-to-frame variations as unified holistic actions, our method effectively learns inter-frame holistic gesture motion patterns and ensures both spatially and semantically coherent movement trajectories that adhere to realistic motion manifolds. To further bridge the gap in expressive alignment, we propose a Gesture-Audio-Phoneme (GAP) fusion module that can deeply integrate and refine multi-modal signals, ensuring structured and fine-grained alignment between speech semantics, body motion, and facial expressions. Extensive quantitative and qualitative experiments on the BEAT2 dataset demonstrate the effectiveness of our 3DGesPolicy across other state-of-the-art methods in generating natural, expressive, and highly speech-aligned holistic gestures.

Xuanmeng Sha, Liyun Zhang, Tomohiro Mashita et al.

Audio-driven 3D facial animation has achieved significant progress in both research and applications. While recent baselines struggle to generate natural and continuous facial movements due to their frame-by-frame vertex generation approach, we propose 3DFacePolicy, a pioneer work that introduces a novel definition of vertex trajectory changes across consecutive frames through the concept of "action". By predicting action sequences for each vertex that encode frame-to-frame movements, we reformulate vertex generation approach into an action-based control paradigm. Specifically, we leverage a robotic control mechanism, diffusion policy, to predict action sequences conditioned on both audio and vertex states. Extensive experiments on VOCASET and BIWI datasets demonstrate that our approach significantly outperforms state-of-the-art methods and is particularly expert in dynamic, expressive and naturally smooth facial animations.

Tatsunori Taniai, Ryo Igarashi, Yuta Suzuki et al.

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.

Florian Lalande, Yoshitomo Matsubara, Naoya Chiba et al.

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.

Yuta Suzuki, Tatsunori Taniai, Ryo Igarashi et al.

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.

Rintaro Yanagi, Atsushi Hashimoto, Shusaku Sone et al.

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.