Preconditioning techniques are crucial for enhancing the efficiency of solving large-scale linear equation systems that arise from partial differential equation (PDE) discretization. These techniques, such as Incomplete Cholesky factorization (IC) and data-driven neural network methods, accelerate the convergence of iterative solvers like Conjugate Gradient (CG) by approximating the original matrices. This paper introduces a novel approach that integrates Graph Neural Network (GNN) with traditional IC, addressing the shortcomings of direct generation methods based on GNN and achieving significant improvements in computational efficiency and scalability. Experimental results demonstrate an average reduction in iteration counts by 24.8% compared to IC and a two-order-of-magnitude increase in training scale compared to previous methods. A three-dimensional static structural analysis utilizing finite element methods was validated on training sparse matrices of up to 5 million dimensions and inference scales of up to 10 million. Furthermore, the approach demon-strates robust generalization capabilities across scales, facilitating the effective acceleration of CG solvers for large-scale linear equations using small-scale data on modest hardware. The method's robustness and scalability make it a practical solution for computational science.
The success of AI models relies on the availability of large, diverse, and high-quality datasets, which can be challenging to obtain due to data scarcity, privacy concerns, and high costs. Synthetic data has emerged as a promising solution by generating artificial data that mimics real-world patterns. This paper provides an overview of synthetic data research, discussing its applications, challenges, and future directions. We present empirical evidence from prior art to demonstrate its effectiveness and highlight the importance of ensuring its factuality, fidelity, and unbiasedness. We emphasize the need for responsible use of synthetic data to build more powerful, inclusive, and trustworthy language models.
Human intelligence thrives on the concept of cognitive synergy, where collaboration and information integration among different cognitive processes yield superior outcomes compared to individual cognitive processes in isolation. Although Large Language Models (LLMs) have demonstrated promising performance as general task-solving agents, they still struggle with tasks that require intensive domain knowledge and complex reasoning. In this work, we propose Solo Performance Prompting (SPP), which transforms a single LLM into a cognitive synergist by engaging in multi-turn self-collaboration with multiple personas. A cognitive synergist refers to an intelligent agent that collaborates with multiple minds, combining their individual strengths and knowledge, to enhance problem-solving and overall performance in complex tasks. By dynamically identifying and simulating different personas based on task inputs, SPP unleashes the potential of cognitive synergy in LLMs. We have discovered that assigning multiple, fine-grained personas in LLMs elicits better problem-solving abilities compared to using a single or fixed number of personas. We evaluate SPP on three challenging tasks: Trivia Creative Writing, Codenames Collaborative, and Logic Grid Puzzle, encompassing both knowledge-intensive and reasoning-intensive types. Unlike previous works, such as Chain-of-Thought, that solely enhance the reasoning abilities in LLMs, SPP effectively elicits internal knowledge acquisition abilities, reduces hallucination, and maintains strong reasoning capabilities. Code, data, and prompts can be found at: //github.com/MikeWangWZHL/Solo-Performance-Prompting.git.
Transformer architectures have facilitated the development of large-scale and general-purpose sequence models for prediction tasks in natural language processing and computer vision, e.g., GPT-3 and Swin Transformer. Although originally designed for prediction problems, it is natural to inquire about their suitability for sequential decision-making and reinforcement learning problems, which are typically beset by long-standing issues involving sample efficiency, credit assignment, and partial observability. In recent years, sequence models, especially the Transformer, have attracted increasing interest in the RL communities, spawning numerous approaches with notable effectiveness and generalizability. This survey presents a comprehensive overview of recent works aimed at solving sequential decision-making tasks with sequence models such as the Transformer, by discussing the connection between sequential decision-making and sequence modeling, and categorizing them based on the way they utilize the Transformer. Moreover, this paper puts forth various potential avenues for future research intending to improve the effectiveness of large sequence models for sequential decision-making, encompassing theoretical foundations, network architectures, algorithms, and efficient training systems. As this article has been accepted by the Frontiers of Computer Science, here is an early version, and the most up-to-date version can be found at //journal.hep.com.cn/fcs/EN/10.1007/s11704-023-2689-5
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.
The development of practical applications, such as autonomous driving and robotics, has brought increasing attention to 3D point cloud understanding. While deep learning has achieved remarkable success on image-based tasks, there are many unique challenges faced by deep neural networks in processing massive, unstructured and noisy 3D points. To demonstrate the latest progress of deep learning for 3D point cloud understanding, this paper summarizes recent remarkable research contributions in this area from several different directions (classification, segmentation, detection, tracking, flow estimation, registration, augmentation and completion), together with commonly used datasets, metrics and state-of-the-art performances. More information regarding this survey can be found at: //github.com/SHI-Labs/3D-Point-Cloud-Learning.
Multi-relation Question Answering is a challenging task, due to the requirement of elaborated analysis on questions and reasoning over multiple fact triples in knowledge base. In this paper, we present a novel model called Interpretable Reasoning Network that employs an interpretable, hop-by-hop reasoning process for question answering. The model dynamically decides which part of an input question should be analyzed at each hop; predicts a relation that corresponds to the current parsed results; utilizes the predicted relation to update the question representation and the state of the reasoning process; and then drives the next-hop reasoning. Experiments show that our model yields state-of-the-art results on two datasets. More interestingly, the model can offer traceable and observable intermediate predictions for reasoning analysis and failure diagnosis, thereby allowing manual manipulation in predicting the final answer.
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%.
Object detection typically assumes that training and test data are drawn from an identical distribution, which, however, does not always hold in practice. Such a distribution mismatch will lead to a significant performance drop. In this work, we aim to improve the cross-domain robustness of object detection. We tackle the domain shift on two levels: 1) the image-level shift, such as image style, illumination, etc, and 2) the instance-level shift, such as object appearance, size, etc. We build our approach based on the recent state-of-the-art Faster R-CNN model, and design two domain adaptation components, on image level and instance level, to reduce the domain discrepancy. The two domain adaptation components are based on H-divergence theory, and are implemented by learning a domain classifier in adversarial training manner. The domain classifiers on different levels are further reinforced with a consistency regularization to learn a domain-invariant region proposal network (RPN) in the Faster R-CNN model. We evaluate our newly proposed approach using multiple datasets including Cityscapes, KITTI, SIM10K, etc. The results demonstrate the effectiveness of our proposed approach for robust object detection in various domain shift scenarios.
Detecting carried objects is one of the requirements for developing systems to reason about activities involving people and objects. We present an approach to detect carried objects from a single video frame with a novel method that incorporates features from multiple scales. Initially, a foreground mask in a video frame is segmented into multi-scale superpixels. Then the human-like regions in the segmented area are identified by matching a set of extracted features from superpixels against learned features in a codebook. A carried object probability map is generated using the complement of the matching probabilities of superpixels to human-like regions and background information. A group of superpixels with high carried object probability and strong edge support is then merged to obtain the shape of the carried object. We applied our method to two challenging datasets, and results show that our method is competitive with or better than the state-of-the-art.