When interacting with objects through cameras, or pictures, users often have a specific intent. For example, they may want to perform a visual search. However, most object detection models ignore the user intent, relying on image pixels as their only
input. This often leads to incorrect results, such as lack of a high-confidence detection on the object of interest, or detection with a wrong class label. In this paper we investigate techniques to modulate standard object detectors to explicitly account for the user intent, expressed as an embedding of a simple query. Compared to standard object detectors, query-modulated detectors show superior performance at detecting objects for a given label of interest. Thanks to large-scale training data synthesized from standard object detection annotations, query-modulated detectors can also outperform specialized referring expression recognition systems. Furthermore, they can be simultaneously trained to solve for both query-modulated detection and standard object detection.
Retrosynthesis is the process of recursively decomposing target molecules into available building blocks. It plays an important role in solving problems in organic synthesis planning. To automate or assist in the retrosynthesis analysis, various retr
osynthesis prediction algorithms have been proposed. However, most of them are cumbersome and lack interpretability about their predictions. In this paper, we devise a novel template-free algorithm for automatic retrosynthetic expansion inspired by how chemists approach retrosynthesis prediction. Our method disassembles retrosynthesis into two steps: i) identify the potential reaction center of the target molecule through a novel graph neural network and generate intermediate synthons, and ii) generate the reactants associated with synthons via a robust reactant generation model. While outperforming the state-of-the-art baselines by a significant margin, our model also provides chemically reasonable interpretation.
In this paper, we consider the problem of unsupervised domain adaptation in the semantic segmentation. There are two primary issues in this field, i.e., what and how to transfer domain knowledge across two domains. Existing methods mainly focus on ad
apting domain-invariant features (what to transfer) through adversarial learning (how to transfer). Context dependency is essential for semantic segmentation, however, its transferability is still not well understood. Furthermore, how to transfer contextual information across two domains remains unexplored. Motivated by this, we propose a cross-attention mechanism based on self-attention to capture context dependencies between two domains and adapt transferable context. To achieve this goal, we design two cross-domain attention modules to adapt context dependencies from both spatial and channel views. Specifically, the spatial attention module captures local feature dependencies between each position in the source and target image. The channel attention module models semantic dependencies between each pair of cross-domain channel maps. To adapt context dependencies, we further selectively aggregate the context information from two domains. The superiority of our method over existing state-of-the-art methods is empirically proved on GTA5 to Cityscapes and SYNTHIA to Cityscapes.
Molecule generation is to design new molecules with specific chemical properties and further to optimize the desired chemical properties. Following previous work, we encode molecules into continuous vectors in the latent space and then decode the vec
tors into molecules under the variational autoencoder (VAE) framework. We investigate the posterior collapse problem of current RNN-based VAEs for molecule sequence generation. For the first time, we find that underestimated reconstruction loss leads to posterior collapse, and provide both theoretical and experimental evidence. We propose an effective and efficient solution to fix the problem and avoid posterior collapse. Without bells and whistles, our method achieves SOTA reconstruction accuracy and competitive validity on the ZINC 250K dataset. When generating 10,000 unique valid SMILES from random prior sampling, it costs JT-VAE1450s while our method only needs 9s. Our implementation is at https://github.com/chaoyan1037/Re-balanced-VAE.
