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Da Zheng e317f715e0 deprecate DGL-KE. (#1432)
* deprecate DGL-KE.

* Update README.md

* remove from CI.

* remove tests.

Co-authored-by: Zheng <dzzhen@3c22fb0ed81b.ant.amazon.com>
2020-04-09 01:08:33 -07:00

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# DGL - Knowledge Graph Embedding
**Note: DGL-KE is moved to [here](https://github.com/awslabs/dgl-ke). DGL-KE in this folder is deprecated.**
## Introduction
DGL-KE is a DGL-based package for computing node embeddings and relation embeddings of
knowledge graphs efficiently. This package is adapted from
[KnowledgeGraphEmbedding](https://github.com/DeepGraphLearning/KnowledgeGraphEmbedding).
We enable fast and scalable training of knowledge graph embedding,
while still keeping the package as extensible as
[KnowledgeGraphEmbedding](https://github.com/DeepGraphLearning/KnowledgeGraphEmbedding).
On a single machine,
it takes only a few minutes for medium-size knowledge graphs, such as FB15k and wn18, and
takes a couple of hours on Freebase, which has hundreds of millions of edges.
DGL-KE includes the following knowledge graph embedding models:
- TransE (TransE_l1 with L1 distance and TransE_l2 with L2 distance)
- DistMult
- ComplEx
- RESCAL
- TransR
- RotatE
It will add other popular models in the future.
DGL-KE supports multiple training modes:
- CPU training
- GPU training
- Joint CPU & GPU training
- Multiprocessing training on CPUs
For joint CPU & GPU training, node embeddings are stored on CPU and mini-batches are trained on GPU. This is designed for training KGE models on large knowledge graphs
For multiprocessing training, each process train mini-batches independently and use shared memory for communication between processes. This is designed to train KGE models on large knowledge graphs with many CPU cores.
We will support multi-GPU training and distributed training in a near future.
## Requirements
The package can run with both Pytorch and MXNet. For Pytorch, it works with Pytorch v1.2 or newer.
For MXNet, it works with MXNet 1.5 or newer.
## Built-in Datasets
DGL-KE provides five built-in knowledge graphs:
| Dataset | #nodes | #edges | #relations |
|---------|--------|--------|------------|
| [FB15k](https://data.dgl.ai/dataset/FB15k.zip) | 14951 | 592213 | 1345 |
| [FB15k-237](https://data.dgl.ai/dataset/FB15k-237.zip) | 14541 | 310116 | 237 |
| [wn18](https://data.dgl.ai/dataset/wn18.zip) | 40943 | 151442 | 18 |
| [wn18rr](https://data.dgl.ai/dataset/wn18rr.zip) | 40943 | 93003 | 11 |
| [Freebase](https://data.dgl.ai/dataset/Freebase.zip) | 86054151 | 338586276 | 14824 |
Users can specify one of the datasets with `--dataset` in `train.py` and `eval.py`.
## Performance
The 1 GPU speed is measured with 8 CPU cores and one Nvidia V100 GPU. (AWS P3.2xlarge)
The 8 GPU speed is measured with 64 CPU cores and eight Nvidia V100 GPU. (AWS P3.16xlarge)
The speed on FB15k 1GPU
| Models | TransE_l1 | TransE_l2 | DistMult | ComplEx | RESCAL | TransR | RotatE |
|---------|-----------|-----------|----------|---------|--------|--------|--------|
|MAX_STEPS| 48000 | 32000 | 40000 | 100000 | 32000 | 32000 | 20000 |
|TIME | 370s | 270s | 312s | 282s | 2095s | 1556s | 1861s |
The accuracy on FB15k
| Models | MR | MRR | HITS@1 | HITS@3 | HITS@10 |
|-----------|-------|-------|--------|--------|---------|
| TransE_l1 | 44.18 | 0.675 | 0.551 | 0.774 | 0.861 |
| TransE_l2 | 46.71 | 0.665 | 0.551 | 0.804 | 0.846 |
| DistMult | 61.04 | 0.725 | 0.625 | 0.837 | 0.883 |
| ComplEx | 64.59 | 0.785 | 0.718 | 0.835 | 0.889 |
| RESCAL | 122.3 | 0.669 | 0.598 | 0.711 | 0.793 |
| TransR | 59.86 | 0.676 | 0.591 | 0.735 | 0.814 |
| RotatE | 43.66 | 0.728 | 0.632 | 0.801 | 0.874 |
The speed on FB15k 8GPU
| Models | TransE_l1 | TransE_l2 | DistMult | ComplEx | RESCAL | TransR | RotatE |
|---------|-----------|-----------|----------|---------|--------|--------|--------|
|MAX_STEPS| 6000 | 4000 | 5000 | 4000 | 4000 | 4000 | 2500 |
|TIME | 88.93s | 62.99s | 72.74s | 68.37s | 245.9s | 203.9s | 126.7s |
The accuracy on FB15k
| Models | MR | MRR | HITS@1 | HITS@3 | HITS@10 |
|-----------|-------|-------|--------|--------|---------|
| TransE_l1 | 44.25 | 0.672 | 0.547 | 0.774 | 0.860 |
| TransE_l2 | 46.13 | 0.658 | 0.539 | 0.748 | 0.845 |
| DistMult | 61.72 | 0.723 | 0.626 | 0.798 | 0.881 |
| ComplEx | 65.84 | 0.754 | 0.676 | 0.813 | 0.880 |
| RESCAL | 135.6 | 0.652 | 0.580 | 0.693 | 0.779 |
| TransR | 65.27 | 0.676 | 0.591 | 0.736 | 0.811 |
| RotatE | 49.59 | 0.683 | 0.581 | 0.759 | 0.848 |
In comparison, GraphVite uses 4 GPUs and takes 14 minutes. Thus, DGL-KE trains TransE on FB15k 9.5X as fast as GraphVite with 8 GPUs. More performance information on GraphVite can be found [here](https://github.com/DeepGraphLearning/graphvite).
The speed on wn18 1GPU
| Models | TransE_l1 | TransE_l2 | DistMult | ComplEx | RESCAL | TransR | RotatE |
|---------|-----------|-----------|----------|---------|--------|--------|--------|
|MAX_STEPS| 32000 | 32000 | 20000 | 20000 | 20000 | 30000 | 24000 |
|TIME | 531.5s | 406.6s | 284.1s | 282.3s | 443.6s | 766.2s | 829.4s |
The accuracy on wn18
| Models | MR | MRR | HITS@1 | HITS@3 | HITS@10 |
|-----------|-------|-------|--------|--------|---------|
| TransE_l1 | 318.4 | 0.764 | 0.602 | 0.929 | 0.949 |
| TransE_l2 | 206.2 | 0.561 | 0.306 | 0.800 | 0.944 |
| DistMult | 486.0 | 0.818 | 0.711 | 0.921 | 0.948 |
| ComplEx | 268.6 | 0.933 | 0.916 | 0.949 | 0.961 |
| RESCAL | 536.6 | 0.848 | 0.790 | 0.900 | 0.927 |
| TransR | 452.4 | 0.620 | 0.461 | 0.758 | 0.856 |
| RotatE | 487.9 | 0.944 | 0.940 | 0.947 | 0.952 |
The speed on wn18 8GPU
| Models | TransE_l1 | TransE_l2 | DistMult | ComplEx | RESCAL | TransR | RotatE |
|---------|-----------|-----------|----------|---------|--------|--------|--------|
|MAX_STEPS| 4000 | 4000 | 2500 | 2500 | 2500 | 2500 | 3000 |
|TIME | 119.3s | 81.1s | 76.0s | 58.0s | 594.1s | 1168s | 139.8s |
The accuracy on wn18
| Models | MR | MRR | HITS@1 | HITS@3 | HITS@10 |
|-----------|-------|-------|--------|--------|---------|
| TransE_l1 | 360.3 | 0.745 | 0.562 | 0.930 | 0.951 |
| TransE_l2 | 193.8 | 0.557 | 0.301 | 0.799 | 0.942 |
| DistMult | 499.9 | 0.807 | 0.692 | 0.917 | 0.945 |
| ComplEx | 476.7 | 0.935 | 0.926 | 0.943 | 0.949 |
| RESCAL | 618.8 | 0.848 | 0.791 | 0.897 | 0.927 |
| TransR | 513.1 | 0.659 | 0.491 | 0.821 | 0.871 |
| RotatE | 466.2 | 0.944 | 0.940 | 0.945 | 0.951 |
The speed on Freebase (8 GPU)
| Models | TransE_l2 | DistMult | ComplEx | TransR | RotatE |
|---------|-----------|----------|---------|--------|--------|
|MAX_STEPS| 320000 | 300000 | 360000 | 300000 | 300000 |
|TIME | 7908s | 7425s | 8946s | 16816s | 12817s |
The accuracy on Freebase (it is tested when 1000 negative edges are sampled for each positive edge).
| Models | MR | MRR | HITS@1 | HITS@3 | HITS@10 |
|-----------|--------|-------|--------|--------|---------|
| TransE_l2 | 22.4 | 0.756 | 0.688 | 0.800 | 0.882 |
| DistMul | 45.4 | 0.833 | 0.812 | 0.843 | 0.872 |
| ComplEx | 48.0 | 0.830 | 0.812 | 0.838 | 0.864 |
| TransR | 51.2 | 0.697 | 0.656 | 0.716 | 0.771 |
| RotatE | 93.3 | 0.770 | 0.749 | 0.780 | 0.805 |
The speed on Freebase (48 CPU)
This measured with 48 CPU cores on an AWS r5dn.24xlarge
| Models | TransE_l2 | DistMult | ComplEx |
|---------|-----------|----------|---------|
|MAX_STEPS| 50000 | 50000 | 50000 |
|TIME | 7002s | 6340s | 8133s |
The accuracy on Freebase (it is tested when 1000 negative edges are sampled for each positive edge).
| Models | MR | MRR | HITS@1 | HITS@3 | HITS@10 |
|-----------|--------|-------|--------|--------|---------|
| TransE_l2 | 30.8 | 0.814 | 0.764 | 0.848 | 0.902 |
| DistMul | 45.1 | 0.834 | 0.815 | 0.843 | 0.871 |
| ComplEx | 44.9 | 0.837 | 0.819 | 0.845 | 0.870 |
The configuration for reproducing the performance results can be found [here](https://github.com/dmlc/dgl/blob/master/apps/kg/config/best_config.sh).
## Usage
DGL-KE doesn't require installation. The package contains two scripts `train.py` and `eval.py`.
* `train.py` trains knowledge graph embeddings and outputs the trained node embeddings
and relation embeddings.
* `eval.py` reads the pre-trained node embeddings and relation embeddings and evaluate
how accurate to predict the tail node when given (head, rel, ?), and predict the head node
when given (?, rel, tail).
### Input formats:
DGL-KE supports two knowledge graph input formats for user defined dataset
- raw_udd_[h|r|t], raw user defined dataset. In this format, user only need to provide triples and let the dataloader generate and manipulate the id mapping. The dataloader will generate two files: entities.tsv for entity id mapping and relations.tsv for relation id mapping. The order of head, relation and tail entities are described in [h|r|t], for example, raw_udd_trh means the triples are stored in the order of tail, relation and head. It should contains three files:
- *train* stores the triples in the training set. In format of a triple, e.g., [src_name, rel_name, dst_name] and should follow the order specified in [h|r|t]
- *valid* stores the triples in the validation set. In format of a triple, e.g., [src_name, rel_name, dst_name] and should follow the order specified in [h|r|t]
- *test* stores the triples in the test set. In format of a triple, e.g., [src_name, rel_name, dst_name] and should follow the order specified in [h|r|t]
Format 2:
- udd_[h|r|t], user defined dataset. In this format, user should provide the id mapping for entities and relations. The order of head, relation and tail entities are described in [h|r|t], for example, raw_udd_trh means the triples are stored in the order of tail, relation and head. It should contains five files:
- *entities* stores the mapping between entity name and entity Id
- *relations* stores the mapping between relation name relation Id
- *train* stores the triples in the training set. In format of a triple, e.g., [src_id, rel_id, dst_id] and should follow the order specified in [h|r|t]
- *valid* stores the triples in the validation set. In format of a triple, e.g., [src_id, rel_id, dst_id] and should follow the order specified in [h|r|t]
- *test* stores the triples in the test set. In format of a triple, e.g., [src_id, rel_id, dst_id] and should follow the order specified in [h|r|t]
### Output formats:
To save the trained embeddings, users have to provide the path with `--save_emb` when running
`train.py`. The saved embeddings are stored as numpy ndarrays.
* The node embedding is saved as `XXX_YYY_entity.npy`.
* The relation embedding is saved as `XXX_YYY_relation.npy`.
`XXX` is the dataset name and `YYY` is the model name.
### Command line parameters
Here are some examples of using the training script.
Train KGE models with GPU.
```bash
python3 train.py --model DistMult --dataset FB15k --batch_size 1024 --neg_sample_size 256 \
--hidden_dim 400 --gamma 143.0 --lr 0.08 --batch_size_eval 16 --valid --test -adv \
--gpu 0 --max_step 40000
```
Train KGE models with mixed multiple GPUs.
```bash
python3 train.py --model DistMult --dataset FB15k --batch_size 1024 --neg_sample_size 256 \
--hidden_dim 400 --gamma 143.0 --lr 0.08 --batch_size_eval 16 --valid --test -adv \
--max_step 5000 --mix_cpu_gpu --num_proc 8 --gpu 0 1 2 3 4 5 6 7 --async_update \
--soft_rel_part --force_sync_interval 1000
```
Train embeddings and verify it later.
```bash
python3 train.py --model DistMult --dataset FB15k --batch_size 1024 --neg_sample_size 256 \
--hidden_dim 400 --gamma 143.0 --lr 0.08 --batch_size_eval 16 --valid --test -adv \
--gpu 0 --max_step 40000 --save_emb DistMult_FB15k_emb
python3 eval.py --model_name DistMult --dataset FB15k --hidden_dim 400 \
--gamma 143.0 --batch_size 16 --gpu 0 --model_path DistMult_FB15k_emb/
```
Train embeddings with multi-processing. This currently doesn't work in MXNet.
```bash
python3 train.py --model TransE_l2 --dataset Freebase --batch_size 1000 \
--neg_sample_size 200 --hidden_dim 400 --gamma 10 --lr 0.1 --max_step 50000 \
--log_interval 100 --batch_size_eval 1000 --neg_sample_size_eval 1000 --test \
-adv --regularization_coef 1e-9 --num_thread 1 --num_proc 48
```