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.

Input: Consider Input: Deep networks face challenges of ensuring their robustness against inputs that cannot be effectively represented by information learned from training data. We attribute this vulnerability to the limitations inherent to activation-based representation. To complement the learned information from activation-based representation, we propose utilizing a gradient-based representation that explicitly focuses on missing information. In addition, we propose a directional constraint on the gradients as an objective during training to improve the characterization of missing information. To validate the effectiveness of the proposed approach, we compare the anomaly detection performance of gradient-based and activation-based representations. We show that the gradient-based representation outperforms the activation-based representation by 0.093 in CIFAR-10 and 0.361 in CURE-TSR datasets in terms of AUROC averaged over all classes. Also, we propose an anomaly detection algorithm that uses the gradient-based representation, denoted as GradCon, and validate its performance on three benchmarking datasets. The proposed method outperforms the majority of the state-of-the-art algorithms in CIFAR-10, MNIST, and fMNIST datasets with an average AUROC of 0.664, 0.973, and 0.934, respectively.

Output: We propose a gradient-based representation for characterizing information that deep networks have not learned.


Input: Consider Input: Disentangling underlying generative factors of a data distribution is important for interpretability and generalizable representations. In this paper,  we introduce two novel disentangling methods. Our first method, Unlabeled Disentangling GAN (UD-GAN, unsupervised), decomposes the latent noise by generating similar/dissimilar image pairs and it learns a distance metric on these pairs with siamese networks and a contrastive loss. This pairwise approach provides consistent representations for similar data points. Our second method (UD-GAN-G, weakly supervised) modifies the UD-GAN with user-defined guidance functions, which restrict the information that goes into the siamese networks. This constraint helps UD-GAN-G to focus on the desired semantic variations in the data. We  show  that  both  our  methods  outperform  existing  unsupervised approaches in quantitative metrics that measure semantic accuracy of the learned representations. In addition, we illustrate that simple guidance functions we use in UD-GAN-G allow us to directly capture the desired variations in the data.

Output: We use Siamese Networks to guide and disentangle the generation process in GANs without labeled data.


Input: Consider Input: Designing a molecule with desired properties is one of the biggest challenges in drug development, as it requires optimization of chemical compound structures with respect to many complex properties. To augment the compound design process we introduce Mol-CycleGAN -- a CycleGAN-based model that generates optimized compounds with a chemical scaffold of interest. Namely, given a molecule our model generates a structurally similar one with an optimized value of the considered property. We evaluate the performance of the model on selected optimization objectives related to structural properties (presence of halogen groups, number of aromatic rings) and to a physicochemical property (penalized logP). In the task of optimization of penalized logP of drug-like molecules our model significantly outperforms previous results.


Output: We introduce Mol-CycleGAN - a new generative model for optimization of molecules to augment drug design.