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Found 15 papers, 3 papers with code
Self-Consistency Training for Hamiltonian Prediction
This merit addresses the data scarcity difficulty, and distinguishes the task from other property prediction formulations with unique benefits: (1) self-consistency training enables the model to be trained on a large amount of unlabeled data, hence substantially enhances generalization; (2) self-consistency training is more efficient than labeling data with DFT for supervised training, since it is an amortization of DFT calculation over a set of molecular structures.
Overcoming the Barrier of Orbital-Free Density Functional Theory for Molecular Systems Using Deep Learning
Orbital-free density functional theory (OFDFT) is a quantum chemistry formulation that has a lower cost scaling than the prevailing Kohn-Sham DFT, which is increasingly desired for contemporary molecular research.
CLIPPING: Distilling CLIP-Based Models With a Student Base for Video-Language Retrieval
Pre-training a vison-language model and then fine-tuning it on downstream tasks have become a popular paradigm.
PIDRo: Parallel Isomeric Attention with Dynamic Routing for Text-Video Retrieval
The parallel isomeric attention module is used as the video encoder, which consists of two parallel branches modeling the spatial-temporal information of videos from both patch and frame levels.
Ranked #3 on
Video Retrieval
on MSR-VTT-1kA
HiVLP: Hierarchical Interactive Video-Language Pre-Training
However, compared to image-language pre-training, VLP has lagged far behind due to the lack of large amounts of video-text pairs.
An ensemble of VisNet, Transformer-M, and pretraining models for molecular property prediction in OGB Large-Scale Challenge @ NeurIPS 2022
In the technical report, we provide our solution for OGB-LSC 2022 Graph Regression Task.
Multi-View Substructure Learning for Drug-Drug Interaction Prediction
Drug-drug interaction (DDI) prediction provides a drug combination strategy for systemically effective treatment.
Co-evolution Transformer for Protein Contact Prediction
These methods generally derive coevolutionary features by aggregating the learned residue representations from individual sequences with equal weights, which is inconsistent with the premise that residue co-evolutions are a reflection of collective covariation patterns of numerous homologous proteins.
Pre-training Co-evolutionary Protein Representation via A Pairwise Masked Language Model
The key problem in the protein sequence representation learning is to capture the co-evolutionary information reflected by the inter-residue co-variation in the sequences.
SE(3) Equivariant Graph Neural Networks with Complete Local Frames
In this paper, we propose a framework to construct SE(3) equivariant graph neural networks that can approximate the geometric quantities efficiently.
Improved Drug-target Interaction Prediction with Intermolecular Graph Transformer
The identification of active binding drugs for target proteins (termed as drug-target interaction prediction) is the key challenge in virtual screening, which plays an essential role in drug discovery.
Exploring the Regulatory Function of the N-terminal Domain of SARS-CoV-2 Spike Protein Through Molecular Dynamics Simulation
We performed molecular dynamics simulation on the S protein with a focus on the function of its N-terminal domains (NTDs).
Defending Model Inversion and Membership Inference Attacks via Prediction Purification
Neural networks are susceptible to data inference attacks such as the model inversion attack and the membership inference attack, where the attacker could infer the reconstruction and the membership of a data sample from the confidence scores predicted by the target classifier.
SEEK: Segmented Embedding of Knowledge Graphs
In recent years, knowledge graph embedding becomes a pretty hot research topic of artificial intelligence and plays increasingly vital roles in various downstream applications, such as recommendation and question answering.
Ranked #1 on
Link Prediction
on YAGO37
Hallucinating very low-resolution and obscured face images
The inpainting network restores the low-resolution(LR) obscured face images.
