Fine-grained few-shot entity extraction in the chemical domain faces two unique challenges. First, compared with entity extraction tasks in the general domain, sentences from chemical papers usually contain more entities. Moreover, entity extraction models usually have difficulty extracting entities of long-tailed types. In this paper, we propose Chem-FINESE, a novel sequence-to-sequence (seq2seq) based few-shot entity extraction approach, to address these two challenges. Our Chem-FINESE has two components: a seq2seq entity extractor to extract named entities from the input sentence and a seq2seq self-validation module to reconstruct the original input sentence from extracted entities. Inspired by the fact that a good entity extraction system needs to extract entities faithfully, our new self-validation module leverages entity extraction results to reconstruct the original input sentence. Besides, we design a new contrastive loss to reduce excessive copying during the extraction process. Finally, we release ChemNER+, a new fine-grained chemical entity extraction dataset that is annotated by domain experts with the ChemNER schema. Experiments in few-shot settings with both ChemNER+ and CHEMET datasets show that our newly proposed framework has contributed up to 8.26% and 6.84% absolute F1-score gains respectively.
Large language models (LLMs) have undergone significant expansion and have been increasingly integrated across various domains. Notably, in the realm of robot task planning, LLMs harness their advanced reasoning and language comprehension capabilities to formulate precise and efficient action plans based on natural language instructions. However, for embodied tasks, where robots interact with complex environments, text-only LLMs often face challenges due to a lack of compatibility with robotic visual perception. This study provides a comprehensive overview of the emerging integration of LLMs and multimodal LLMs into various robotic tasks. Additionally, we propose a framework that utilizes multimodal GPT-4V to enhance embodied task planning through the combination of natural language instructions and robot visual perceptions. Our results, based on diverse datasets, indicate that GPT-4V effectively enhances robot performance in embodied tasks. This extensive survey and evaluation of LLMs and multimodal LLMs across a variety of robotic tasks enriches the understanding of LLM-centric embodied intelligence and provides forward-looking insights toward bridging the gap in Human-Robot-Environment interaction.
Therapeutic peptides represent a unique class of pharmaceutical agents crucial for the treatment of human diseases. Recently, deep generative models have exhibited remarkable potential for generating therapeutic peptides, but they only utilize sequence or structure information alone, which hinders the performance in generation. In this study, we propose a Multi-Modal Contrastive Diffusion model (MMCD), fusing both sequence and structure modalities in a diffusion framework to co-generate novel peptide sequences and structures. Specifically, MMCD constructs the sequence-modal and structure-modal diffusion models, respectively, and devises a multi-modal contrastive learning strategy with intercontrastive and intra-contrastive in each diffusion timestep, aiming to capture the consistency between two modalities and boost model performance. The inter-contrastive aligns sequences and structures of peptides by maximizing the agreement of their embeddings, while the intra-contrastive differentiates therapeutic and non-therapeutic peptides by maximizing the disagreement of their sequence/structure embeddings simultaneously. The extensive experiments demonstrate that MMCD performs better than other state-of-theart deep generative methods in generating therapeutic peptides across various metrics, including antimicrobial/anticancer score, diversity, and peptide-docking.
This paper studies the problem of solving complex chemistry problems with large language models (LLMs). Despite the extensive general knowledge in LLMs (such as GPT-4), they struggle with chemistry reasoning that requires faithful grounded reasoning with diverse chemical knowledge and an integrative understanding of chemical interactions. We propose InstructChem, a new structured reasoning approach that substantially boosts the LLMs' chemical reasoning capabilities. InstructChem explicitly decomposes the reasoning into three critical phrases, including chemical formulae generation by LLMs that offers the basis for subsequent grounded reasoning, step-by-step reasoning that makes multi-step derivations with the identified formulae for a preliminary answer, and iterative review-and-refinement that steers LLMs to progressively revise the previous phases for increasing confidence, leading to the final high-confidence answer. We conduct extensive experiments on four different chemistry challenges, including quantum chemistry, quantum mechanics, physical chemistry, and chemistry kinetics. Our approach significantly enhances GPT-4 on chemistry reasoning, yielding an 8% average absolute improvement and a 30% peak improvement. We further use the generated reasoning by GPT-4 to fine-tune smaller LMs (e.g., Vicuna) and observe strong improvement of the smaller LMs. This validates our approach and enables LLMs to generate high-quality reasoning.
Generative Adversarial Networks (GANs) for producing realistic signals, have substantially improved fault diagnosis algorithms in various Internet of Things (IoT) systems. However, challenges such as training instability and dynamical inaccuracy limit their utility in high-speed rail (HSR) bogie fault diagnosis. To address these challenges, we introduce the Pulse Voltage-Guided Conditional Diffusion Model (VGCDM). Unlike traditional implicit GANs, VGCDM adopts a sequential U-Net architecture, facilitating multi-phase denoising diffusion for generation, which bolsters training stability and mitigate convergence issues. VGCDM also incorporates control pulse voltage by cross-attention mechanism to ensure the alignment of vibration with voltage signals, enhancing the Conditional Diffusion Model's progressive controlablity. Consequently, solely straightforward sampling of control voltages, ensuring the efficient transformation from Gaussian Noise to vibration signals. This adaptability remains robust even in scenarios with time-varying speeds. To validate the effectiveness, we conducted two case studies using SQ dataset and high-simulation HSR bogie dataset. The results of our experiments unequivocally confirm that VGCDM outperforms other generative models, achieving the best RSME, PSNR, and FSCS, showing its superiority in conditional HSR bogie vibration signal generation. For access, our code is available at https://github.com/xuanliu2000/VGCDM.
The recent development of online static map element (a.k.a. HD Map) construction algorithms has raised a vast demand for data with ground truth annotations. However, available public datasets currently cannot provide high-quality training data regarding consistency and accuracy. To this end, we present CAMA: a vision-centric approach for Consistent and Accurate Map Annotation. Without LiDAR inputs, our proposed framework can still generate high-quality 3D annotations of static map elements. Specifically, the annotation can achieve high reprojection accuracy across all surrounding cameras and is spatial-temporal consistent across the whole sequence. We apply our proposed framework to the popular nuScenes dataset to provide efficient and highly accurate annotations. Compared with the original nuScenes static map element, models trained with annotations from CAMA achieve lower reprojection errors (e.g., 4.73 vs. 8.03 pixels).
Integrating contact-awareness into a soft snake robot and efficiently controlling its locomotion in response to contact information present significant challenges. This paper aims to solve contact-aware locomotion problem of a soft snake robot through developing bio-inspired contact-aware locomotion controllers. To provide effective contact information for the controllers, we develop a scale covered sensor structure mimicking natural snakes' \textit{scale sensilla}. In the design of control framework, our core contribution is the development of a novel sensory feedback mechanism of the Matsuoka central pattern generator (CPG) network. This mechanism allows the Matsuoka CPG system to work like a "spine cord" in the whole contact-aware control scheme, which simultaneously takes the stimuli including tonic input signals from the "brain" (a goal-tracking locomotion controller) and sensory feedback signals from the "reflex arc" (the contact reactive controller), and generate rhythmic signals to effectively actuate the soft snake robot to slither through densely allocated obstacles. In the design of the "reflex arc", we develop two types of reactive controllers -- 1) a reinforcement learning (RL) sensor regulator that learns to manipulate the sensory feedback inputs of the CPG system, and 2) a local reflexive sensor-CPG network that directly connects sensor readings and the CPG's feedback inputs in a special topology. These two reactive controllers respectively facilitate two different contact-aware locomotion control schemes. The two control schemes are tested and evaluated in the soft snake robot, showing promising performance in the contact-aware locomotion tasks. The experimental results also further verify the benefit of Matsuoka CPG system in bio-inspired robot controller design.
During the process of computed tomography (CT), metallic implants often cause disruptive artifacts in the reconstructed images, impeding accurate diagnosis. Several supervised deep learning-based approaches have been proposed for reducing metal artifacts (MAR). However, these methods heavily rely on training with simulated data, as obtaining paired metal artifact CT and clean CT data in clinical settings is challenging. This limitation can lead to decreased performance when applying these methods in clinical practice. Existing unsupervised MAR methods, whether based on learning or not, typically operate within a single domain, either in the image domain or the sinogram domain. In this paper, we propose an unsupervised MAR method based on the diffusion model, a generative model with a high capacity to represent data distributions. Specifically, we first train a diffusion model using CT images without metal artifacts. Subsequently, we iteratively utilize the priors embedded within the pre-trained diffusion model in both the sinogram and image domains to restore the degraded portions caused by metal artifacts. This dual-domain processing empowers our approach to outperform existing unsupervised MAR methods, including another MAR method based on the diffusion model, which we have qualitatively and quantitatively validated using synthetic datasets. Moreover, our method demonstrates superior visual results compared to both supervised and unsupervised methods on clinical datasets.
The complexity of learning problems, such as Generative Adversarial Network (GAN) and its variants, multi-task and meta-learning, hyper-parameter learning, and a variety of real-world vision applications, demands a deeper understanding of their underlying coupling mechanisms. Existing approaches often address these problems in isolation, lacking a unified perspective that can reveal commonalities and enable effective solutions. Therefore, in this work, we proposed a new framework, named Learning with Constraint Learning (LwCL), that can holistically examine challenges and provide a unified methodology to tackle all the above-mentioned complex learning and vision problems. Specifically, LwCL is designed as a general hierarchical optimization model that captures the essence of these diverse learning and vision problems. Furthermore, we develop a gradient-response based fast solution strategy to overcome optimization challenges of the LwCL framework. Our proposed framework efficiently addresses a wide range of applications in learning and vision, encompassing three categories and nine different problem types. Extensive experiments on synthetic tasks and real-world applications verify the effectiveness of our approach. The LwCL framework offers a comprehensive solution for tackling complex machine learning and computer vision problems, bridging the gap between theory and practice.