Wu et al. provide a framework (behavior regularized actor critic (BRAC)) which they use to empirically study the impact of different design choices in batch reinforcement learning (RL). Specific instantiations of the framework include BCQ, KL-Control and BEAR. 

Pure off-policy rl describes the problem of learning a policy purely from a batch $B$ of one step transitions collected with a behavior policy $\pi_b$. The setting allows for no further interactions with the environment. This learning regime is for example in high stake scenarios, like education or heath care, desirable. 

The core principle of batch RL-algorithms in to stay in some sense close to the behavior policy. The paper proposes to incorporate this firstly via a regularization term in the value function, which is denoted as **value penalty**. In this case the value function of BRAC takes the following form:

$
V_D^{\pi}(s) = \sum_{t=0}^{\infty} \gamma ^t \mathbb{E}_{s_t \sim P_t^{\pi}(s)}[R^{pi}(s_t)- \alpha D(\pi(\cdot\vert s_t) \Vert \pi_b(\cdot \vert s_t)))], 
$

where $\pi_b$ is the maximum likelihood estimate of the behavior policy based upon $B$. 
This results in a Q-function objective:
$\min_{Q} = \mathbb{E}_{\substack{(s,a,r,s') \sim D \\ a' \sim \pi_{\theta}(\cdot \vert s)}}\left[(r + \gamma \left(\bar{Q}(s',a')-\alpha D(\pi(\cdot\vert s) \Vert \pi_b(\cdot \vert s) \right) - Q(s,a) \right]  
$

and the corresponding policy update:
$
\max_{\pi_{\theta}} \mathbb{E}_{(s,a,r,s') \sim D} \left[ \mathbb{E}_{a^{''} \sim \pi_{\theta}(\cdot \vert s)}[Q(s,a^{''})] - \alpha  D(\pi(\cdot\vert s) \Vert \pi_b(\cdot \vert s)  \right] 
$
 
The second approach is **policy regularization** . Here the regularization weight $\alpha$ is set for value-objectives (V- and Q) to zero and is non-zero for the policy objective.

It is possible to instantiate for example the following batch RL algorithms in this setting:
- BEAR: policy regularization with sample-based kernel MMD as D and min-max mixture of the two ensemble elements for $\bar{Q}$
- BCQ: no regularization but policy optimization over restricted space

Extensive Experiments over the four Mujoco tasks Ant, HalfCheetah,Hopper Walker show:
1. for a BEAR like instantiation there is a  modest advantage of keeping $\alpha$ fixed
2. using a mixture of a two or four Q-networks ensemble as target value yields better returns that using one Q-network
3. taking the minimum of ensemble Q-functions is slightly better than taking a mixture (for Ant, HalfCeetah & Walker, but not for Hooper
4. the use of value-penalty yields higher return than the policy-penalty
5. no choice for D (MMD, KL (primal), KL(dual) or Wasserstein (dual)) significantly outperforms the other (note that his contradicts the BEAR paper where MMD was better than KL)
6. the value penalty version consistently outperforms BEAR which in turn outperforms BCQ with improves upon a partially trained baseline. 

This large scale study of different design choices helps in developing new methods. It is however surprising to see, that most design choices in current methods are shown empirically to be non crucial. This points to the importance of agreeing upon common test scenarios within a community to prevent over-fitting new algorithms to a particular setting. 

Large-scale transformers on unsupervised text data have been wildly successful in recent years; arguably, the most successful single idea in the last ~3 years of machine learning. Given that, it's understandable that different domains within ML want to take their shot at seeing whether the same formula will work for them as well. This paper applies the principles of (1) transformers and (2) large-scale unlabeled data to the problem of learning informative embeddings of molecular graphs. 

Labeling is a problem in much of machine learning - it's costly, and narrowly defined in terms of a certain task - but that problem is even more exacerbated when it comes to labeling properties of molecules, since they typically require wetlab chemistry to empirically measure. Given that, and also given the fact that we often want to predict new properties - like effectiveness against a new targetable drug receptor - that we don't yet have data for, finding a way to learn and transfer from unsupervised data has the potential to be quite valuable in the molecular learning sphere. 

There are two main conceptual parts to this paper and its method - named GROVER, in true-to-ML-form tortured acronym style. The first is the actual architecture of their model itself, which combines both a message-passing Graph Neural Network to aggregate local information, and a Transformer to aggregate global information. The paper was a bit vague here, but the way I understand it is: 

https://i.imgur.com/JY4vRdd.png
- There are parallel GNN + Transformer stacks for both edges and nodes, each of which outputs both a node and edge embedding, for four embeddings total. I'll describe the one for nodes, and the parallel for edges operates the same way, except that hidden states live on edges rather than nodes, and attention is conducted over edges rather than nodes
- In the NodeTransformer version, a message passing NN (of I'm not sure how many layers) performs neighborhood aggregation (aggregating the hidden states of neighboring nodes and edges, then weight-transforming them, then aggregating again) until each node has a representation that has "absorbed" in information from a few hops out of its surrounding neighborhood. My understanding is that there is a separate MPNN for queries, keys, and values, and so each nodes end up with three different vectors for these three things.
- Multi-headed attention is then performed over these node representations, in the normal way, where all keys and queries are dot-product-ed together, and put into a softmax to calculate a weighted average over the values
- We now have node-level representations that combine both local and global information. These node representations are then aggregated into both node and edge representations, and each is put into a MLP layer and Layer Norm before finally outputting a node-based node and edge representation. This is then joined by an edge-based node and edge representation from the parallel stack. These are aggregated on a full-graph level to predict graph-level properties

https://i.imgur.com/NNl6v4Y.png

The other component of the GROVER model is the way this architecture is actually trained - without explicit supervised labels. The authors use two tasks - one local, and one global. The local task constructs labels based on local contextual properties of a given atom - for example, the atom here has one double-bonded Nitrogen and one single-bonded Oxygen in its local environment - and tries to predict those labels given the representations of that atom (or node). The global task uses RDKit (an analytically constructed molecular analysis kit) to identify 85 different modifs or functional groups in the molecule, and encodes those into an 85-long one-hot vector that is being predicted on a graph level. 

https://i.imgur.com/jzbYchA.png

With these two components, GROVER is pretrained on 10 million unlabeled molecules, and then evaluated in transfer settings where its representations are fine-tuned on small amounts of labeled data. The results are pretty impressive - it achieves new SOTA performance by relatively large amounts on all tasks, even relative to exist semi-supervised pretraining methods that similarly have access to more data. The authors perform ablations to show that it's important to do the graph-aggregation step before a transformer (the alternative being just doing a transformer on raw node and edge features), and also show that their architecture without pretraining (just used directly in downstream tasks) also performs worse. One thing I wish they'd directly ablated was the value-add of the local (also referred to as "contextual") and global semi-supervised tasks. Naively, I'd guess that most of the performance gain came from the global task, but it's hard to know without them having done the test directly.

This paper proposes a 3D human pose estimation in video method based on the dilated temporal convolutions applied on 2D keypoints (input to the network). 2D keypoints can be obtained using any person keypoint detector, but Mask R-CNN with ResNet-101 backbone, pre-trained on COCO and fine-tuned on 2D projections from Human3.6M, is used in the paper.
https://i.imgur.com/CdQONiN.png

The poses are presented as 2D keypoint coordinates in contrast to using heatmaps (i.e. Gaussian operation applied at the keypoint 2D location). Thus, 1D convolutions over the time series are applied, instead of 2D convolutions over heatmaps. The model is a fully convolutional architecture with residual connections that takes a sequence of 2D poses ( concatenated $(x,y)$ coordinates of the joints in each frame) as input and transforms them through temporal convolutions.
https://i.imgur.com/tCZvt6M.png
The `Slice` layer in the residual connection performs padding (or slicing) the sequence with replicas of boundary frames (to both left and right) to match the dimensions with the main block as zero-padding is not used in the convolution operations.

3D pose estimation is a difficult task particularly due to the limited data available online. Therefore, the authors propose semi-supervised approach of training the 2D->3D pose estimation by exploiting unlabeled video. Specifically, 2D keypoints are detected in the unlabeled video with any keypoint detector, then 3D keypoints are predicted from them and these 3D points are reprojected back to 2D (camera intrinsic parameters are required). This is idea similar to cycle consistency in the [CycleGAN](https://junyanz.github.io/CycleGAN/), for instance.
https://i.imgur.com/CBHxFOd.png
In the semi-supervised part (bottom part of the image above) training penalizes when the reprojected 2D keypoints are far from the original input. Weighted mean per-joint position error (WMPJPE) loss, weighted by the inverse of the depth to the object (since far objects should contribute less to the training than close ones) is used as the optimization goal.

The two networks (`supervised` above, `semi-supervised` below) have the same architecture but do not share any weights. They are jointly optimized where `semi-supervised` part serves as a regularizer. They communicate through the path aiming to make sure that the mean bone length of the above and below branches match.

The interesting tendency is observed from the MPJPE analysis with different amounts of supervised and unsupervised data available. Basically, the `semi-supervised` approach becomes more effective when less labeled data is available.
https://i.imgur.com/bHpVcSi.png

Additionally, the error is reduced when the ground truth keypoints are used. This means that a robust and accurate 2D keypoint detector is essential for the accurate 3D pose estimation in this setting.
https://i.imgur.com/rhhTDfo.png

This is a simple unsupervised method for learning word-level translation
between embeddings of two different languages.

That's right -- unsupervised.

The basic motivating hypothesis is that there should be an isomorphism between
the "semantic spaces" of different languages:

> we hypothesize that, if languages are used to convey thematically similar information in similar contexts, these random processes should be approximately isomorphic between languages, and that this isomorphism can be learned from the statistics of the realizations of these processes, the monolingual corpora, in principle without any form of explicit alignment.

If you squint a bit, you can make the more aggressive claim from this premise
that there should be a nonlinear / MLP mapping between *word embedding spaces*
that gets us the same result.

The author uses the adversarial autoencoder (AAE, from Makhzani last year)
framework in order to enforce a cross-lingual semantic mapping in word
embedding spaces. The basic setup for adversarial training between a source and
a target language:

1. Sample a batch of words from the source language according to the language's
   word frequency distribution.
2. Sample a batch of words from the target language according to its word
   frequency distribution. (No sort of relationship is enforced between the two
   samples here.)
3. Feed the word embeddings corresponding to the source words through an
   *encoder* MLP. This corresponds to the standard "generator" in a GAN setup.
4. Pass the generator output to a *discriminator* MLP along with the
   target-language word embeddings.
5. Also pass the generator output to a *decoder* which maps back to the source
   embedding distribution.
6. Update weights based on a combination of GAN loss + reconstruction loss.

### Does it work?

We don't really know. The paper is unfortunately short on evaluation --- we
just see a few examples of success and failure on a trained model. One easy
evaluation would be to compare accuracy in lexical mapping vs. corpus frequency
of the source word. I would bet that this would reveal the model hasn't done
much more than learn to align a small set of high-frequency words.

This work attempts to use meta-learning to learn an update rule for a reinforcement learning agent. In this context, "learning an update rule" means learning the parameters of an LSTM module that takes in information about the agent's recent reward and current model and outputs two values - a scalar and a vector - that are used to update the agent's model. I'm not going to go too deep into meta-learning here, but, at a high level, meta learning methods optimize parameters governing an agent's learning, and, over the course of many training processes over many environments, optimize those parameters such that the reward over the full lifetime of training is higher. 

To be more concrete, the agent in a given environment learns two things: 

- A policy, that is, a distribution over predicted action given a state.
- A "prediction vector". This fits in the conceptual slot where most RL algorithms would learn some kind of value or Q function, to predict how much future reward can be expected from a given state. However, in this context, this vector is *very explicitly* not a value function, but is just a vector that the agent-model generates and updates. The notion here is that maybe our human-designed construction of a value function isn't actually the best quantity for an agent to be predicting, and, if we meta-learn, we might find something more optimal. I'm a little bit confused about the structure of this vector, but I think it's *intended* to be a categorical 1-of-m prediction

At each step, after acting in the environment, the agent passes to an LSTM: 

- The reward at the step
- A binary of whether the trajectory is done
- The discount factor
- The probability of the action that was taken from state t
- The prediction vector evaluated at state t
- The prediction vector evaluated at state t+1

Given that as input (and given access to its past history from earlier in the training process), the LSTM predicts two things: 

- A scalar, pi-hat
- A prediction vector, y-hat

These two quantities are used to update the existing policy and prediction model according to the rule below.

https://i.imgur.com/xx1W9SU.png

 Conceptually, the scalar governs whether to increase or decrease probability assigned to the taken action under the policy, and y-hat serves as a target for the prediction vector to be pulled towards.  An important thing to note about the LSTM structure is that none of the quantities it takes as input are dependent on the action or observation space of the environment, so, once it is learned it can (hopefully) generalize to new environments. 

Given this, the basic meta learning objective falls out fairly easily - optimize the parameters of the LSTM to maximize lifetime reward, taken in expectation over training runs.  However, things don't turn out to be quite that easy. The simplest version of this meta-learning objective is wildly unstable and difficult to optimize, and the authors had to add a number of training hacks in order to get something that would work. (It really is dramatic, by the way, how absolutely essential these are to training something that actually learns a prediction vector). These include: 

- A entropy bonus, pushing the meta learned parameters to learn policies and prediction vectors that have higher entropy (which is to say: are less deterministic)
- An L2 penalty on both pi-hat and y-hat
- A removal of the softmax that had originally been originally taken over the k-dimensional prediction vector categorical, and switching that target from a KL divergence to a straight mean squared error loss. As far as I can tell, this makes the prediction vector no longer actually a 1-of-k categorical, but instead just a continuous vector, with each value between 0 and 1, which makes it make more sense to think of k separate binaries? This I was definitely confused about in the paper overall

https://i.imgur.com/EL8R1yd.png

With the help of all of these regularizers, the authors were able to get something that trained, and that appeared to be able to perform comparably to or better than A2C - the human-designed baseline - across the simple grid-worlds it was being trained in. However, the two most interesting aspects of the evaluation were: 

1. The authors showed that, given the values of the prediction vector, you could predict the true value of a state quite well, suggesting that the vector captured most of the information about what states were high value. However, beyond that, they found that the meta-learned vector was able to be used to predict the value calculated with discount rates different that than one used in the meta-learned training, which the hand-engineered alternative, TD-lambda, wasn't able to do (it could only well-predict values at the same discount rate used to calculate it). This suggests that the network really is learning some more robust notion of value that isn't tied to a specific discount rate. 

2. They also found that they were able to deploy the LSTM update rule learned on grid worlds to Atari games, and have it perform reasonably well - beating A2C in a few cases, though certainly not all. This is fairly impressive, since it's an example of a rule learned on a different, much simpler set of environments generalizing to more complex ones, and suggests that there's something intrinsic to Reinforcement Learning that it's capturing