Conventional mechanical design paradigms rely on experts systematically refining concepts through experience-guided modification and FEA to meet specific requirements. However, this approach can be time-consuming and heavily dependent on prior knowledge and experience. While numerous machine learning models have been developed to streamline this intensive and expert-driven iterative process, these methods typically demand extensive training data and considerable computational resources. Furthermore, methods based on deep learning are usually restricted to the specific domains and tasks for which they were trained, limiting their applicability across different tasks. This creates a trade-off between the efficiency of automation and the demand for resources. In this study, we present a novel approach that integrates pre-trained LLMs with a FEM module. The FEM module evaluates each design and provides essential feedback, guiding the LLMs to continuously learn, plan, generate, and optimize designs without the need for domain-specific training. We demonstrate the effectiveness of our proposed framework in managing the iterative optimization of truss structures, showcasing its capability to reason about and refine designs according to structured feedback and criteria. Our results reveal that these LLM-based agents can successfully generate truss designs that comply with natural language specifications with a success rate of up to 90%, which varies according to the applied constraints. By employing prompt-based optimization techniques we show that LLM based agents exhibit optimization behavior when provided with solution-score pairs to iteratively refine designs to meet specifications. This ability of LLM agents to produce viable designs and optimize them based on their inherent reasoning capabilities highlights their potential to develop and implement effective design strategies autonomously.
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The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.
Molecular design and synthesis planning are two critical steps in the process of molecular discovery that we propose to formulate as a single shared task of conditional synthetic pathway generation. We report an amortized approach to generate synthetic pathways as a Markov decision process conditioned on a target molecular embedding. This approach allows us to conduct synthesis planning in a bottom-up manner and design synthesizable molecules by decoding from optimized conditional codes, demonstrating the potential to solve both problems of design and synthesis simultaneously. The approach leverages neural networks to probabilistically model the synthetic trees, one reaction step at a time, according to reactivity rules encoded in a discrete action space of reaction templates. We train these networks on hundreds of thousands of artificial pathways generated from a pool of purchasable compounds and a list of expert-curated templates. We validate our method with (a) the recovery of molecules using conditional generation, (b) the identification of synthesizable structural analogs, and (c) the optimization of molecular structures given oracle functions relevant to drug discovery.
Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.
Existing methods for vision-and-language learning typically require designing task-specific architectures and objectives for each task. For example, a multi-label answer classifier for visual question answering, a region scorer for referring expression comprehension, and a language decoder for image captioning, etc. To alleviate these hassles, in this work, we propose a unified framework that learns different tasks in a single architecture with the same language modeling objective, i.e., multimodal conditional text generation, where our models learn to generate labels in text based on the visual and textual inputs. On 7 popular vision-and-language benchmarks, including visual question answering, referring expression comprehension, visual commonsense reasoning, most of which have been previously modeled as discriminative tasks, our generative approach (with a single unified architecture) reaches comparable performance to recent task-specific state-of-the-art vision-and-language models. Moreover, our generative approach shows better generalization ability on answering questions that have rare answers. In addition, we show that our framework allows multi-task learning in a single architecture with a single set of parameters, which achieves similar performance to separately optimized single-task models. Our code will be publicly available at: //github.com/j-min/VL-T5
Conventional methods for object detection typically require a substantial amount of training data and preparing such high-quality training data is very labor-intensive. In this paper, we propose a novel few-shot object detection network that aims at detecting objects of unseen categories with only a few annotated examples. Central to our method are our Attention-RPN, Multi-Relation Detector and Contrastive Training strategy, which exploit the similarity between the few shot support set and query set to detect novel objects while suppressing false detection in the background. To train our network, we contribute a new dataset that contains 1000 categories of various objects with high-quality annotations. To the best of our knowledge, this is one of the first datasets specifically designed for few-shot object detection. Once our few-shot network is trained, it can detect objects of unseen categories without further training or fine-tuning. Our method is general and has a wide range of potential applications. We produce a new state-of-the-art performance on different datasets in the few-shot setting. The dataset link is //github.com/fanq15/Few-Shot-Object-Detection-Dataset.
Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.
We advocate the use of implicit fields for learning generative models of shapes and introduce an implicit field decoder for shape generation, aimed at improving the visual quality of the generated shapes. An implicit field assigns a value to each point in 3D space, so that a shape can be extracted as an iso-surface. Our implicit field decoder is trained to perform this assignment by means of a binary classifier. Specifically, it takes a point coordinate, along with a feature vector encoding a shape, and outputs a value which indicates whether the point is outside the shape or not. By replacing conventional decoders by our decoder for representation learning and generative modeling of shapes, we demonstrate superior results for tasks such as shape autoencoding, generation, interpolation, and single-view 3D reconstruction, particularly in terms of visual quality.
We introduce a multi-task setup of identifying and classifying entities, relations, and coreference clusters in scientific articles. We create SciERC, a dataset that includes annotations for all three tasks and develop a unified framework called Scientific Information Extractor (SciIE) for with shared span representations. The multi-task setup reduces cascading errors between tasks and leverages cross-sentence relations through coreference links. Experiments show that our multi-task model outperforms previous models in scientific information extraction without using any domain-specific features. We further show that the framework supports construction of a scientific knowledge graph, which we use to analyze information in scientific literature.
Providing model-generated explanations in recommender systems is important to user experience. State-of-the-art recommendation algorithms -- especially the collaborative filtering (CF) based approaches with shallow or deep models -- usually work with various unstructured information sources for recommendation, such as textual reviews, visual images, and various implicit or explicit feedbacks. Though structured knowledge bases were considered in content-based approaches, they have been largely ignored recently due to the availability of vast amount of data and the learning power of many complex models. However, structured knowledge bases exhibit unique advantages in personalized recommendation systems. When the explicit knowledge about users and items is considered for recommendation, the system could provide highly customized recommendations based on users' historical behaviors and the knowledge is helpful for providing informed explanations regarding the recommended items. In this work, we propose to reason over knowledge base embeddings for explainable recommendation. Specifically, we propose a knowledge base representation learning framework to embed heterogeneous entities for recommendation, and based on the embedded knowledge base, a soft matching algorithm is proposed to generate personalized explanations for the recommended items. Experimental results on real-world e-commerce datasets verified the superior recommendation performance and the explainability power of our approach compared with state-of-the-art baselines.
We introduce a generic framework that reduces the computational cost of object detection while retaining accuracy for scenarios where objects with varied sizes appear in high resolution images. Detection progresses in a coarse-to-fine manner, first on a down-sampled version of the image and then on a sequence of higher resolution regions identified as likely to improve the detection accuracy. Built upon reinforcement learning, our approach consists of a model (R-net) that uses coarse detection results to predict the potential accuracy gain for analyzing a region at a higher resolution and another model (Q-net) that sequentially selects regions to zoom in. Experiments on the Caltech Pedestrians dataset show that our approach reduces the number of processed pixels by over 50% without a drop in detection accuracy. The merits of our approach become more significant on a high resolution test set collected from YFCC100M dataset, where our approach maintains high detection performance while reducing the number of processed pixels by about 70% and the detection time by over 50%.
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