108,059 research outputs found
Time-Contrastive Networks: Self-Supervised Learning from Video
We propose a self-supervised approach for learning representations and
robotic behaviors entirely from unlabeled videos recorded from multiple
viewpoints, and study how this representation can be used in two robotic
imitation settings: imitating object interactions from videos of humans, and
imitating human poses. Imitation of human behavior requires a
viewpoint-invariant representation that captures the relationships between
end-effectors (hands or robot grippers) and the environment, object attributes,
and body pose. We train our representations using a metric learning loss, where
multiple simultaneous viewpoints of the same observation are attracted in the
embedding space, while being repelled from temporal neighbors which are often
visually similar but functionally different. In other words, the model
simultaneously learns to recognize what is common between different-looking
images, and what is different between similar-looking images. This signal
causes our model to discover attributes that do not change across viewpoint,
but do change across time, while ignoring nuisance variables such as
occlusions, motion blur, lighting and background. We demonstrate that this
representation can be used by a robot to directly mimic human poses without an
explicit correspondence, and that it can be used as a reward function within a
reinforcement learning algorithm. While representations are learned from an
unlabeled collection of task-related videos, robot behaviors such as pouring
are learned by watching a single 3rd-person demonstration by a human. Reward
functions obtained by following the human demonstrations under the learned
representation enable efficient reinforcement learning that is practical for
real-world robotic systems. Video results, open-source code and dataset are
available at https://sermanet.github.io/imitat
Representability of algebraic topology for biomolecules in machine learning based scoring and virtual screening
This work introduces a number of algebraic topology approaches, such as
multicomponent persistent homology, multi-level persistent homology and
electrostatic persistence for the representation, characterization, and
description of small molecules and biomolecular complexes. Multicomponent
persistent homology retains critical chemical and biological information during
the topological simplification of biomolecular geometric complexity.
Multi-level persistent homology enables a tailored topological description of
inter- and/or intra-molecular interactions of interest. Electrostatic
persistence incorporates partial charge information into topological
invariants. These topological methods are paired with Wasserstein distance to
characterize similarities between molecules and are further integrated with a
variety of machine learning algorithms, including k-nearest neighbors, ensemble
of trees, and deep convolutional neural networks, to manifest their descriptive
and predictive powers for chemical and biological problems. Extensive numerical
experiments involving more than 4,000 protein-ligand complexes from the PDBBind
database and near 100,000 ligands and decoys in the DUD database are performed
to test respectively the scoring power and the virtual screening power of the
proposed topological approaches. It is demonstrated that the present approaches
outperform the modern machine learning based methods in protein-ligand binding
affinity predictions and ligand-decoy discrimination
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