The aim in packing problems is to decide if a given set of pieces can be placed inside a given container. A packing problem is defined by the types of pieces and containers to be handled, and the motions that are allowed to move the pieces. The pieces must be placed so that in the resulting placement, they are pairwise interior-disjoint. We establish a framework which enables us to show that for many combinations of allowed pieces, containers and motions, the resulting problem is $\exists \mathbb{R}$-complete. This means that the problem is equivalent (under polynomial time reductions) to deciding whether a given system of polynomial equations and inequalities with integer coefficients has a real solution. We consider packing problems where only translations are allowed as the motions, and problems where arbitrary rigid motions are allowed, i.e., both translations and rotations. When rotations are allowed, we show that it is an $\exists \mathbb{R}$-complete problem to decide if a set of convex polygons, each of which has at most $7$ corners, can be packed into a square. Restricted to translations, we show that the following problems are $\exists \mathbb{R}$-complete: (i) pieces bounded by segments and hyperbolic curves to be packed in a square, and (ii) convex polygons to be packed in a container bounded by segments and hyperbolic curves.
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Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating, and enabling our understanding of natural phenomena at a wide range of spatial and temporal scales, giving rise to a new area of research known as AI for science (AI4Science). Being an emerging research paradigm, AI4Science is unique in that it is an enormous and highly interdisciplinary area. Thus, a unified and technical treatment of this field is needed yet challenging. This work aims to provide a technically thorough account of a subarea of AI4Science; namely, AI for quantum, atomistic, and continuum systems. These areas aim at understanding the physical world from the subatomic (wavefunctions and electron density), atomic (molecules, proteins, materials, and interactions), to macro (fluids, climate, and subsurface) scales and form an important subarea of AI4Science. A unique advantage of focusing on these areas is that they largely share a common set of challenges, thereby allowing a unified and foundational treatment. A key common challenge is how to capture physics first principles, especially symmetries, in natural systems by deep learning methods. We provide an in-depth yet intuitive account of techniques to achieve equivariance to symmetry transformations. We also discuss other common technical challenges, including explainability, out-of-distribution generalization, knowledge transfer with foundation and large language models, and uncertainty quantification. To facilitate learning and education, we provide categorized lists of resources that we found to be useful. We strive to be thorough and unified and hope this initial effort may trigger more community interests and efforts to further advance AI4Science.
Graph Neural Networks (GNNs) are state-of-the-art models for performing prediction tasks on graphs. While existing GNNs have shown great performance on various tasks related to graphs, little attention has been paid to the scenario where out-of-distribution (OOD) nodes exist in the graph during training and inference. Borrowing the concept from CV and NLP, we define OOD nodes as nodes with labels unseen from the training set. Since a lot of networks are automatically constructed by programs, real-world graphs are often noisy and may contain nodes from unknown distributions. In this work, we define the problem of graph learning with out-of-distribution nodes. Specifically, we aim to accomplish two tasks: 1) detect nodes which do not belong to the known distribution and 2) classify the remaining nodes to be one of the known classes. We demonstrate that the connection patterns in graphs are informative for outlier detection, and propose Out-of-Distribution Graph Attention Network (OODGAT), a novel GNN model which explicitly models the interaction between different kinds of nodes and separate inliers from outliers during feature propagation. Extensive experiments show that OODGAT outperforms existing outlier detection methods by a large margin, while being better or comparable in terms of in-distribution classification.
Australia is a leading AI nation with strong allies and partnerships. Australia has prioritised robotics, AI, and autonomous systems to develop sovereign capability for the military. Australia commits to Article 36 reviews of all new means and methods of warfare to ensure weapons and weapons systems are operated within acceptable systems of control. Additionally, Australia has undergone significant reviews of the risks of AI to human rights and within intelligence organisations and has committed to producing ethics guidelines and frameworks in Security and Defence. Australia is committed to OECD's values-based principles for the responsible stewardship of trustworthy AI as well as adopting a set of National AI ethics principles. While Australia has not adopted an AI governance framework specifically for Defence; Defence Science has published 'A Method for Ethical AI in Defence' (MEAID) technical report which includes a framework and pragmatic tools for managing ethical and legal risks for military applications of AI.
With the advances of data-driven machine learning research, a wide variety of prediction problems have been tackled. It has become critical to explore how machine learning and specifically deep learning methods can be exploited to analyse healthcare data. A major limitation of existing methods has been the focus on grid-like data; however, the structure of physiological recordings are often irregular and unordered which makes it difficult to conceptualise them as a matrix. As such, graph neural networks have attracted significant attention by exploiting implicit information that resides in a biological system, with interactive nodes connected by edges whose weights can be either temporal associations or anatomical junctions. In this survey, we thoroughly review the different types of graph architectures and their applications in healthcare. We provide an overview of these methods in a systematic manner, organized by their domain of application including functional connectivity, anatomical structure and electrical-based analysis. We also outline the limitations of existing techniques and discuss potential directions for future research.
Click-through rate (CTR) prediction plays a critical role in recommender systems and online advertising. The data used in these applications are multi-field categorical data, where each feature belongs to one field. Field information is proved to be important and there are several works considering fields in their models. In this paper, we proposed a novel approach to model the field information effectively and efficiently. The proposed approach is a direct improvement of FwFM, and is named as Field-matrixed Factorization Machines (FmFM, or $FM^2$). We also proposed a new explanation of FM and FwFM within the FmFM framework, and compared it with the FFM. Besides pruning the cross terms, our model supports field-specific variable dimensions of embedding vectors, which acts as soft pruning. We also proposed an efficient way to minimize the dimension while keeping the model performance. The FmFM model can also be optimized further by caching the intermediate vectors, and it only takes thousands of floating-point operations (FLOPs) to make a prediction. Our experiment results show that it can out-perform the FFM, which is more complex. The FmFM model's performance is also comparable to DNN models which require much more FLOPs in runtime.
Graph convolution networks (GCN) are increasingly popular in many applications, yet remain notoriously hard to train over large graph datasets. They need to compute node representations recursively from their neighbors. Current GCN training algorithms suffer from either high computational costs that grow exponentially with the number of layers, or high memory usage for loading the entire graph and node embeddings. In this paper, we propose a novel efficient layer-wise training framework for GCN (L-GCN), that disentangles feature aggregation and feature transformation during training, hence greatly reducing time and memory complexities. We present theoretical analysis for L-GCN under the graph isomorphism framework, that L-GCN leads to as powerful GCNs as the more costly conventional training algorithm does, under mild conditions. We further propose L^2-GCN, which learns a controller for each layer that can automatically adjust the training epochs per layer in L-GCN. Experiments show that L-GCN is faster than state-of-the-arts by at least an order of magnitude, with a consistent of memory usage not dependent on dataset size, while maintaining comparable prediction performance. With the learned controller, L^2-GCN can further cut the training time in half. Our codes are available at //github.com/Shen-Lab/L2-GCN.
When labeled training data is scarce, a promising data augmentation approach is to generate visual features of unknown classes using their attributes. To learn the class conditional distribution of CNN features, these models rely on pairs of image features and class attributes. Hence, they can not make use of the abundance of unlabeled data samples. In this paper, we tackle any-shot learning problems i.e. zero-shot and few-shot, in a unified feature generating framework that operates in both inductive and transductive learning settings. We develop a conditional generative model that combines the strength of VAE and GANs and in addition, via an unconditional discriminator, learns the marginal feature distribution of unlabeled images. We empirically show that our model learns highly discriminative CNN features for five datasets, i.e. CUB, SUN, AWA and ImageNet, and establish a new state-of-the-art in any-shot learning, i.e. inductive and transductive (generalized) zero- and few-shot learning settings. We also demonstrate that our learned features are interpretable: we visualize them by inverting them back to the pixel space and we explain them by generating textual arguments of why they are associated with a certain label.
Image captioning is a challenging task that combines the field of computer vision and natural language processing. A variety of approaches have been proposed to achieve the goal of automatically describing an image, and recurrent neural network (RNN) or long-short term memory (LSTM) based models dominate this field. However, RNNs or LSTMs cannot be calculated in parallel and ignore the underlying hierarchical structure of a sentence. In this paper, we propose a framework that only employs convolutional neural networks (CNNs) to generate captions. Owing to parallel computing, our basic model is around 3 times faster than NIC (an LSTM-based model) during training time, while also providing better results. We conduct extensive experiments on MSCOCO and investigate the influence of the model width and depth. Compared with LSTM-based models that apply similar attention mechanisms, our proposed models achieves comparable scores of BLEU-1,2,3,4 and METEOR, and higher scores of CIDEr. We also test our model on the paragraph annotation dataset, and get higher CIDEr score compared with hierarchical LSTMs
Most existing works in visual question answering (VQA) are dedicated to improving the accuracy of predicted answers, while disregarding the explanations. We argue that the explanation for an answer is of the same or even more importance compared with the answer itself, since it makes the question and answering process more understandable and traceable. To this end, we propose a new task of VQA-E (VQA with Explanation), where the computational models are required to generate an explanation with the predicted answer. We first construct a new dataset, and then frame the VQA-E problem in a multi-task learning architecture. Our VQA-E dataset is automatically derived from the VQA v2 dataset by intelligently exploiting the available captions. We have conducted a user study to validate the quality of explanations synthesized by our method. We quantitatively show that the additional supervision from explanations can not only produce insightful textual sentences to justify the answers, but also improve the performance of answer prediction. Our model outperforms the state-of-the-art methods by a clear margin on the VQA v2 dataset.
Dynamic programming (DP) solves a variety of structured combinatorial problems by iteratively breaking them down into smaller subproblems. In spite of their versatility, DP algorithms are usually non-differentiable, which hampers their use as a layer in neural networks trained by backpropagation. To address this issue, we propose to smooth the max operator in the dynamic programming recursion, using a strongly convex regularizer. This allows to relax both the optimal value and solution of the original combinatorial problem, and turns a broad class of DP algorithms into differentiable operators. Theoretically, we provide a new probabilistic perspective on backpropagating through these DP operators, and relate them to inference in graphical models. We derive two particular instantiations of our framework, a smoothed Viterbi algorithm for sequence prediction and a smoothed DTW algorithm for time-series alignment. We showcase these instantiations on two structured prediction tasks and on structured and sparse attention for neural machine translation.
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