Weakly supervised object localization (WSOL) aims to localize objects by only utilizing image-level labels. Class activation maps (CAMs) are the commonly used features to achieve WSOL. However, previous CAM-based methods did not take full advantage of the shallow features, despite their importance for WSOL. Because shallow features are easily buried in background noise through conventional fusion. In this paper, we propose a simple but effective Shallow feature-aware Pseudo supervised Object Localization (SPOL) model for accurate WSOL, which makes the utmost of low-level features embedded in shallow layers. In practice, our SPOL model first generates the CAMs through a novel element-wise multiplication of shallow and deep feature maps, which filters the background noise and generates sharper boundaries robustly. Besides, we further propose a general class-agnostic segmentation model to achieve the accurate object mask, by only using the initial CAMs as the pseudo label without any extra annotation. Eventually, a bounding box extractor is applied to the object mask to locate the target. Experiments verify that our SPOL outperforms the state-of-the-art on both CUB-200 and ImageNet-1K benchmarks, achieving 93.44% and 67.15% (i.e., 3.93% and 2.13% improvement) Top-5 localization accuracy, respectively.
Heterogeneous information network has been widely used to alleviate sparsity and cold start problems in recommender systems since it can model rich context information in user-item interactions. Graph neural network is able to encode this rich context information through propagation on the graph. However, existing heterogeneous graph neural networks neglect entanglement of the latent factors stemming from different aspects. Moreover, meta paths in existing approaches are simplified as connecting paths or side information between node pairs, overlooking the rich semantic information in the paths. In this paper, we propose a novel disentangled heterogeneous graph attention network DisenHAN for top-$N$ recommendation, which learns disentangled user/item representations from different aspects in a heterogeneous information network. In particular, we use meta relations to decompose high-order connectivity between node pairs and propose a disentangled embedding propagation layer which can iteratively identify the major aspect of meta relations. Our model aggregates corresponding aspect features from each meta relation for the target user/item. With different layers of embedding propagation, DisenHAN is able to explicitly capture the collaborative filtering effect semantically. Extensive experiments on three real-world datasets show that DisenHAN consistently outperforms state-of-the-art approaches. We further demonstrate the effectiveness and interpretability of the learned disentangled representations via insightful case studies and visualization.
Accurate protein structure prediction from amino-acid sequences is critical to better understanding the protein function. Recent advances in this area largely benefit from more precise inter-residue distance and orientation predictions, powered by deep neural networks. However, the structure optimization procedure is still dominated by traditional tools, e.g. Rosetta, where the structure is solved via minimizing a pre-defined statistical energy function (with optional prediction-based restraints). Such energy function may not be optimal in formulating the whole conformation space of proteins. In this paper, we propose a fully-differentiable approach for protein structure optimization, guided by a data-driven generative network. This network is trained in a denoising manner, attempting to predict the correction signal from corrupted distance matrices between Ca atoms. Once the network is well trained, Langevin dynamics based sampling is adopted to gradually optimize structures from random initialization. Extensive experiments demonstrate that our EBM-Fold approach can efficiently produce high-quality decoys, compared against traditional Rosetta-based structure optimization routines.
Protein structure prediction has been a grand challenge for over 50 years, owing to its broad scientific and application interests. There are two primary types of modeling algorithms, template-free modeling and template-based modeling. The latter one is suitable for easy prediction tasks and is widely adopted in computer-aided drug discoveries for drug design and screening. Although it has been several decades since its first edition, the current template-based modeling approach suffers from two critical problems: 1) there are many missing regions in the template-query sequence alignment, and 2) the accuracy of the distance pairs from different regions of the template varies, and this information is not well introduced into the modeling. To solve these two problems, we propose a structural optimization process based on template modeling, introducing two neural network models to predict the distance information of the missing regions and the accuracy of the distance pairs of different regions in the template modeling structure. The predicted distances and residue pairwise-specific deviations are incorporated into the potential energy function for structural optimization, which significantly improves the qualities of the original template modeling decoys.
Modelling joint dynamics of liquid vanilla options is crucial for arbitrage-free pricing of illiquid derivatives and managing risks of option trade books. This paper develops a nonparametric model for the European options book respecting underlying financial constraints and while being practically implementable. We derive a state space for prices which are free from static (or model-independent) arbitrage and study the inference problem where a model is learnt from discrete time series data of stock and option prices. We use neural networks as function approximators for the drift and diffusion of the modelled SDE system, and impose constraints on the neural nets such that no-arbitrage conditions are preserved. In particular, we give methods to calibrate \textit{neural SDE} models which are guaranteed to satisfy a set of linear inequalities. We validate our approach with numerical experiments using data generated from a Heston stochastic local volatility model.
Proteins structure prediction has long been a grand challenge over the past 50 years, owing to its broad scientific and application interests. There are two major types of modelling algorithms, template-free modelling and template-based modelling. The latter one is suitable for easy prediction tasks and is widely adopted in computer-aided drug discoveries for drug design and screening. Although it has been several decades since its first edition, the current template-based modeling approach suffers from two important problems: 1) there are many missing regions in the template-query sequence alignment, and 2) the accuracy of the distance pairs from different regions of the template varies, and this information is not well introduced into the modeling. To solve the two problems, we propose a structural optimization process based on template modelling, introducing two neural network models to predict the distance information of the missing regions and the accuracy of the distance pairs of different regions in the template modeling structure. The predicted distances and residue pairwise-specific deviations are incorporated into the potential energy function for structural optimization, which significantly improves the qualities of the original template modelling decoys.
Learned indices have been proposed to replace classic index structures like B-Tree with machine learning (ML) models. They require to replace both the indices and query processing algorithms currently deployed by the databases, and such a radical departure is likely to encounter challenges and obstacles. In contrast, we propose a fundamentally different way of using ML techniques to improve on the query performance of the classic R-Tree without the need of changing its structure or query processing algorithms. Specifically, we develop reinforcement learning (RL) based models to decide how to choose a subtree for insertion and how to split a node, instead of relying on hand-crafted heuristic rules as R-Tree and its variants. Experiments on real and synthetic datasets with up to 100 million spatial objects clearly show that our RL based index outperforms R-Tree and its variants.