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OpenProteinSet: Training data for structural biology at scale
Multiple sequence alignments (MSAs) of proteins encode rich biological information and have been workhorses in bioinformatic methods for tasks like protein design and protein structure prediction for decades. Recent breakthroughs like AlphaFold2 that use transformers to attend directly over large quantities of raw MSAs have reaffirmed their importance. Generation of MSAs is highly computationally intensive, however, and no datasets comparable to those used to train AlphaFold2 have been made available to the research community, hindering progress in machine learning for proteins. To remedy this problem, we introduce OpenProteinSet, an open-source corpus of more than 16 million MSAs, associated structural homologs from the Protein Data Bank, and AlphaFold2 protein structure predictions. We have previously demonstrated the utility of OpenProteinSet by successfully retraining AlphaFold2 on it. We expect OpenProteinSet to be broadly useful as training and validation data for 1) diverse tasks focused on protein structure, function, and design and 2) large-scale multimodal machine learning research.
Asymmetric Temperature Scaling Makes Larger Networks Teach Well Again
Knowledge Distillation (KD) aims at transferring the knowledge of a wellperformed neural network (the teacher) to a weaker one (the student). A peculiar phenomenon is that a more accurate model doesn't necessarily teach better, and temperature adjustment can neither alleviate the mismatched capacity. To explain this, we decompose the efficacy of KD into three parts: correct guidance, smooth regularization, and class discriminability. The last term describes the distinctness of wrong class probabilities that the teacher provides in KD. Complex teachers tend to be over-confident and traditional temperature scaling limits the efficacy of class discriminability, resulting in less discriminative wrong class probabilities. Therefore, we propose Asymmetric Temperature Scaling (ATS), which separately applies a higher/lower temperature to the correct/wrong class. ATS enlarges the variance of wrong class probabilities in the teacher's label and makes the students grasp the absolute affinities of wrong classes to the target class as discriminative as possible. Both theoretical analysis and extensive experimental results demonstrate the effectiveness of ATS.
Asymmetric Temperature Scaling Makes Larger Networks Teach Well Again
Knowledge Distillation (KD) aims at transferring the knowledge of a wellperformed neural network (the teacher) to a weaker one (the student). A peculiar phenomenon is that a more accurate model doesn't necessarily teach better, and temperature adjustment can neither alleviate the mismatched capacity. To explain this, we decompose the efficacy of KD into three parts: correct guidance, smooth regularization, and class discriminability. The last term describes the distinctness of wrong class probabilities that the teacher provides in KD. Complex teachers tend to be over-confident and traditional temperature scaling limits the efficacy of class discriminability, resulting in less discriminative wrong class probabilities. Therefore, we propose Asymmetric Temperature Scaling (ATS), which separately applies a higher/lower temperature to the correct/wrong class. ATS enlarges the variance of wrong class probabilities in the teacher's label and makes the students grasp the absolute affinities of wrong classes to the target class as discriminative as possible. Both theoretical analysis and extensive experimental results demonstrate the effectiveness of ATS.
185fdf627eaae2abab36205dcd19b817-Supplemental-Datasets_and_Benchmarks.pdf
Appendix The appendix is organized as follows. We also provide details of the annotation/calibration process and the baseline neural networks (NNs) in Section D and E, respectively. We discuss results regarding each weather condition and consideration of the K-Radar dataset as a pre-training dataset for other Radar tensor datasets in Section F and G, respectively. Finally, we introduce details of devkits and list relevant URLs to help with understanding the content of the paper in Section H and I, respectively. A.1 Additional samples of the K-Radar dataset and explanation of LPCs for each weather condition In the sleet (Figure 8-(e)) or heavy snow (Figure 8-(g)) condition, the Lidar point cloud (LPC) measurements of some objects ahead are lost when the ego-vehicle is driving.
Who's in control of AI?
Owner of US tech giant reveals breach of one of world's most powerful AI models. Reports of unauthorised access to one of the most powerful Artificial Intelligence models yet developed have emerged. Nothing malicious, say the owners - but it has intensified focus on such technology falling into the wrong hands. So, how is AI being controlled globally? Will complex EU loan deal intensify conflict?
DreamWaltz: Make a Scene with Complex 3D Animatable Avatars
We present DreamWaltz, a novel framework for generating and animating complex 3D avatars given text guidance and parametric human body prior. While recent methods objects, creating have sho high-quality wn encouraging and animatable results for 3D text-to-3D avatars remains generation challenging. of common To create high-quality 3D avatars, DreamWaltz proposes 3D-consistent occlusionaware Score Distillation Sampling (SDS) to optimize implicit neural representations with canonical poses. It provides view-aligned supervision via 3D-aware skeleton conditioning which enables complex avatar generation without artifacts and multiple faces. For animation, our method learns an animatable 3D avatar representation from abundant image priors of diffusion model conditioned on various poses, which could animate complex non-rigged avatars given arbitrary poses without retraining. Extensive evaluations demonstrate that DreamWaltz is an effective and robust approach for creating 3D avatars that can take on complex shapes and appearances as well as novel poses for animation. The proposed framework further enables the creation of complex scenes with diverse compositions, including avatar-avatar, avatar-object and avatar-scene interactions.
Why Lottery Ticket Wins Perspective of Sample Complexity on Pruned Neural Networks
The lottery ticket hypothesis (LTH) [20] states that learning on a properly pruned network (the winning ticket) improves test accuracy over the original unpruned network. Although LTH has been justified empirically in a broad range of deep neural network (DNN) involved applications like computer vision and natural language processing, the theoretical validation of the improved generalization of a winning ticket remains elusive. To the best of our knowledge, our work, for the first time, characterizes the performance of training a pruned neural network by analyzing the geometric structure of the objective function and the sample complexity to achieve zero generalization error. We show that the convex region near a desirable model with guaranteed generalization enlarges as the neural network model is pruned, indicating the structural importance of a winning ticket. Moreover, when the algorithm for training a pruned neural network is specified as an (accelerated) stochastic gradient descent algorithm, we theoretically show that the number of samples required for achieving zero generalization error is proportional to the number of the non-pruned weights in the hidden layer. With a fixed number of samples, training a pruned neural network enjoys a faster convergence rate to the desired model than training the original unpruned one, providing a formal justification of the improved generalization of the winning ticket. Our theoretical results are acquired from learning a pruned neural network of one hidden layer, while experimental results are further provided to justify the implications in pruning multi-layer neural networks.
ACloser Look at Learned Optimization: Stability, Robustness, and Inductive Biases
Learned optimizers--neural networks that are trained to act as optimizers--have the potential to dramatically accelerate training of machine learning models. However, even when meta-trained across thousands of tasks at huge computational expense, blackbox learned optimizers often struggle with stability and generalization when applied to tasks unlike those in their meta-training set. In this paper, we use tools from dynamical systems to investigate the inductive biases and stability properties of optimization algorithms, and apply the resulting insights to designing inductive biases for blackbox optimizers. Our investigation begins with a noisy quadratic model, where we characterize conditions in which optimization is stable, in terms of eigenvalues of the training dynamics. We then introduce simple modifications to a learned optimizer's architecture and meta-training procedure which lead to improved stability, and improve the optimizer's inductive bias. We apply the resulting learned optimizer to a variety of neural network training tasks, where it outperforms the current state of the art learned optimizer--at matched optimizer computational overhead--with regard to optimization performance and meta-training speed, and is capable of generalization to tasks far different from those it was meta-trained on.