Learning in a multi-target environment without prior knowledge about the targets requires a large amount of samples and makes generalization difficult. To solve this problem, it is important to be able to discriminate targets through semantic understanding. In this paper, we propose goal-aware cross-entropy (GACE) loss, that can be utilized in a self-supervised way using auto-labeled goal states alongside reinforcement learning. Based on the loss, we then devise goal-discriminative attention networks (GDAN) which utilize the goal-relevant information to focus on the given instruction. We evaluate the proposed methods on visual navigation and robot arm manipulation tasks with multi-target environments and show that GDAN outperforms the state-of-the-art methods in terms of task success ratio, sample efficiency, and generalization. Additionally, qualitative analyses demonstrate that our proposed method can help the agent become aware of and focus on the given instruction clearly, promoting goal-directed behavior.

Knowledge Distillation (KD) is a well-known training paradigm in deep neural networks where knowledge acquired by a large teacher model is transferred to a small student. KD has proven to be an effective technique to significantly improve the student's performance for various tasks including object detection. As such, KD techniques mostly rely on guidance at the intermediate feature level, which is typically implemented by minimizing an ℓp-norm distance between teacher and student activations during training. In this paper, we propose a replacement for the pixel-wise independent ℓp-norm based on the structural similarity (SSIM) [28]. By taking into account additional contrast and structural cues, feature importance, correlation and spatial dependence in the feature space are considered in the loss formulation. Extensive experiments on MSCOCO [16] demonstrate the effectiveness of our method across different training schemes and architectures. Our method adds only little computational overhead, is straightforward to implement and at the same time it significantly outperforms the standard ℓp-norms. Moreover, more complex state-of-the-art KD methods [13, 33] using attention-based sampling mechanisms are outperformed, including a +3.5 AP gain using a Faster R-CNN R-50 [21] compared to a vanilla model.

Distributionally robust optimization (DRO) is a widely-used approach to learn models that are robust against distribution shift. Compared with the standard optimization setting, the objective function in DRO is more difficult to optimize, and most of the existing theoretical results make strong assumptions on the loss function.

A.1 Access instructions OpenProteinSet is hosted by the Registry of Open Data on AWS (RODA) and can be accessed at the following link: registry.opendata.aws/openfold/. A.2 Documentation and intended uses We include a datasheet [1] in Section B. Detailed documentation on the precise structure and content of the dataset is provided on the dataset's landing page. A.3 Data format All OpenProteinSet files are in standard plaintext formats (A3M for MSAs, HHSearch format for template hits, and PDB for structure files) that can be read by a wide variety of bioinformatics software. A.5 License OpenProteinSet is made available under the CCBY 4.0 license. A copy of the license is provided with the dataset.

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.

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.

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.