We give an elementary (not cut just paste) proof of results of Bott and Shchepin: the space of non-empty subsets of a circle of cardinality at most 3, which is called the third symmetric potency of the circle, is homeomorphic to a 3-sphere and the inclusion of the space of one element subsets is a trefoil knot. Moreove…
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12 results for “potency”
Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molecular Dynamicscs.LG
New method designs antimicrobial peptides with high potency and low toxicity.
problem Designing potent antimicrobial drugs with low toxicity.
method CLaSS method using deep generative autoencoder and atomistic simulations.
result Design and synthesis of two novel AMPs with high potency and low toxicity.
Optimal experiments tighten causal effect bounds efficiently.
problem Selecting experiments to tighten causal effect bounds from observational data.
method Formalized as max-potency problem, NP-hard. Polynomial-programming framework with graphical pruning criteria.
result Pruning criteria reduce search space significantly, enabling efficient experiment selection.
Novel parallel GNN predicts protein-ligand interactions with high accuracy.
problem Accurate prediction of protein-ligand interactions for drug design.
method Parallel Graph Neural Networks (GNN) integrating 3D structural data.
result GNN achieves high accuracy in predicting binary interactions and activity.
Stochastic LWTA networks resist adversarial attacks while maintaining accuracy.
problem Adversarial robustness of neural networks.
method Replaced ReLU with stochastic LWTA activations, trained with Variational Bayesian and PGD.
result Stochastic LWTA networks achieve state-of-the-art robustness against adversarial attacks.
Active learning speeds up antibody affinity prediction.
problem Challenging to identify mutations enhancing antibody affinity.
method Iterative proposal of promising sequences for simulation.
result Accelerates search for improved binders.
Finite-horizon lookahead policies are abundantly used in Reinforcement Learning and demonstrate impressive empirical success. Usually, the lookahead policies are implemented with specific planning methods such as Monte Carlo Tree Search (e.g. in AlphaZero). Referring to the planning problem as tree search, a reasonable…
FINs enhance performance in diverse datasets like finance, speech, and health.
problem Improving neural network performance across various domains.
method Feature Imitating Networks (FINs) initialize weights to approximate specific statistical features.
result FINs significantly improve performance in Bitcoin price prediction, speech emotion recognition, and chronic neck pain detection.
Recent studies have revealed that neural network-based policies can be easily fooled by adversarial examples. However, while most prior works analyze the effects of perturbing every pixel of every frame assuming white-box policy access, in this paper we take a more restrictive view towards adversary generation - with t…
Deploying Customized Data Representation and Approximate Computing in Machine Learning Applicationscs.LG
Major advancements in building general-purpose and customized hardware have been one of the key enablers of versatility and pervasiveness of machine learning models such as deep neural networks. To sustain this ubiquitous deployment of machine learning models and cope with their computational and storage complexity, se…
This thesis explores fast algorithms for large matrices and data augmentation to improve model efficiency.
problem Efficient handling of large models and data in scientific computing and machine learning.
method Randomized low-rank decomposition algorithms and data augmentation techniques.
result Improved sample efficiency and generalization of machine learning models.
Empirical scoring functions based on either molecular force fields or cheminformatics descriptors are widely used, in conjunction with molecular docking, during the early stages of drug discovery to predict potency and binding affinity of a drug-like molecule to a given target. These models require expert-level knowled…