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Better MP, multi-gpu, atom graphs, replay, GPS, LS-GFN, and fixes #141

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Better MP, multi-gpu, atom graphs, replay, GPS, LS-GFN, and fixes #141

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@bengioe bengioe commented Oct 8, 2024 •
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Tons of new features:

  • Shared pinned buffers #120 shared pinned buffer for better MP
  • C molecular graphs
  • Local Search GFN
  • Better replay (prio + uniques)
  • Multi-GPU training
  • Graph model can now do GPS
  • New fragment env variant
  • Many fixes

bengioe added 30 commits February 28, 2024 15:11
@bengioe
first throw at refactoring SamplingIterator
7dbca12
@bengioe
Merge branch 'trunk' into bengioe-better-iterators
939cb56
@bengioe
changed all iterators to DataSource
dfba1ca
@bengioe
lots of little fixes, tested all tasks, better device management
e5239fb
@bengioe
style
43dfc2b
@bengioe
change batch size hyperparameters + fix nested dataclasses
279ecfc
@bengioe
Merge branch 'trunk' into bengioe-better-iterators
2ba251a
@bengioe
move things around & prevent circular import
282bbfb
@bengioe
tox
c3bc6d0
@bengioe
fix imports
b1c5630
@bengioe
replace device references with get_worker_device
a64a639
@bengioe
little fixes
28bcc59
@bengioe
a few more stragglers
4811e7c
@bengioe
proof of concept of using shared pinned buffers
7d32ac1
@bengioe
32mb buffer
d4a2a7d
@bengioe
add to DataSource
27dfc23
@bengioe
various fixes
e9f1dc1
@bengioe
major simplification by reusing pickling mechanisms
c048e77
@bengioe
memory copy + fixes and doc
acfe070
@bengioe
Merge branch 'trunk' into bengioe-mp-with-batch-buffers
9454da8
@bengioe
Merge branch 'trunk' into bengioe-mp-with-batch-buffers
2b9da70
@bengioe
fix global_cfg + opt_Z when there's no Z
907ffcd
@bengioe
fix entropy when masks are used
60722a7
@bengioe
small fixes
f859640
@bengioe
removing timing prints
d536233
@bengioe
C graphs, DDP, logit scaling
6c3beba
@bengioe
C mol valence fix, mask-backwards sample, MLE in TB, priority replay,…
67f4b62 
… Pad action, GPS architecture, some support for distributed DDP
@bengioe
first (bad) attempt
a1534be
@bengioe
working local serach, cond_info dict pass, allow no log dir, fix Pad …
4491f6b 
…and U PB
@bengioe
lstb file
c5373cf
@bengioe bengioe changed the title Better MP, multi-gpu, atom graphs, replay, GPS, and fixes Better MP, multi-gpu, atom graphs, replay, GPS, LS-GFN, and fixes Oct 11, 2024
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@bengioe