In this task, you are given the abstract of a research paper. Your task is to generate a summary of this abstract. Your summary should not be very short, but it's better if it's not more than 30 words.
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Question: Graph neural networks have recently achieved great successes in predicting quantum mechanical properties of molecules. These models represent a molecule as a graph using only the distance between atoms (nodes) and not the spatial direction from one atom to another. However, directional information plays a central role in empirical potentials for molecules, e.g. in angular potentials. To alleviate this limitation we propose directional message passing, in which we embed the messages passed between atoms instead of the atoms themselves. Each message is associated with a direction in coordinate space. These directional message embeddings are rotationally equivariant since the associated directions rotate with the molecule. We propose a message passing scheme analogous to belief propagation, which uses the directional information by transforming messages based on the angle between them. Additionally, we use spherical Bessel functions to construct a theoretically well-founded, orthogonal radial basis that achieves better performance than the currently prevalent Gaussian radial basis functions while using more than 4x fewer parameters. We leverage these innovations to construct the directional message passing neural network (DimeNet). DimeNet outperforms previous GNNs on average by 77% on MD17 and by 41% on QM9.

Answer: Directional message passing incorporates spatial directional information to improve graph neural networks.


Question: Recent evidence shows that convolutional neural networks (CNNs) are biased towards textures so that CNNs are non-robust to adversarial perturbations over textures, while traditional robust visual features like SIFT (scale-invariant feature transforms) are designed to be robust across a substantial range of affine distortion, addition of noise, etc with the mimic of human perception nature. This paper aims to leverage good properties of SIFT to renovate CNN architectures towards better accuracy and robustness. We borrow the scale-space extreme value idea from SIFT, and propose EVPNet (extreme value preserving network) which contains three novel components to model the extreme values: (1) parametric differences of Gaussian (DoG) to extract extrema, (2) truncated ReLU to suppress non-stable extrema and (3) projected normalization layer (PNL) to mimic PCA-SIFT like feature normalization. Experiments demonstrate that EVPNets can achieve similar or better accuracy than conventional CNNs, while achieving much better robustness on a set of adversarial attacks (FGSM,PGD,etc) even without adversarial training.

Answer: This paper aims to leverage good properties of robust visual features like SIFT to renovate CNN architectures towards better accuracy and robustness.


Question: Recent advances in adversarial Deep Learning (DL) have opened up a new and largely unexplored surface for malicious attacks jeopardizing the integrity of autonomous DL systems. We introduce a novel automated countermeasure called Parallel Checkpointing Learners (PCL) to thwart the potential adversarial attacks and significantly improve the reliability (safety) of a victim DL model. The proposed PCL methodology is unsupervised, meaning that no adversarial sample is leveraged to build/train parallel checkpointing learners. We formalize the goal of preventing adversarial attacks as an optimization problem to minimize the rarely observed regions in the latent feature space spanned by a DL network. To solve the aforementioned minimization problem, a set of complementary but disjoint checkpointing modules are trained and leveraged to validate the victim model execution in parallel. Each checkpointing learner explicitly characterizes the geometry of the input data and the corresponding high-level data abstractions within a particular DL layer. As such, the adversary is required to simultaneously deceive all the defender modules in order to succeed. We extensively evaluate the performance of the PCL methodology against the state-of-the-art attack scenarios, including Fast-Gradient-Sign (FGS), Jacobian Saliency Map Attack (JSMA), Deepfool, and Carlini&WagnerL2 algorithm. Extensive proof-of-concept evaluations for analyzing various data collections including MNIST, CIFAR10, and ImageNet corroborate the effectiveness of our proposed defense mechanism against adversarial samples.

Answer:
Devising unsupervised defense mechanisms against adversarial attacks is crucial to ensure the generalizability of the defense.