Commits

Branch selector

 main

User selector

All users

Datepicker

All time

Commit History

Commits on Dec 8, 2024

• Add graph scan support for arbitrary number of input and output dimensions for dense layers

  Show description for 9a1deec
  

  FermiNet Contributor

  authored and

  jsspencer

  committed
  9a1deec

Commits on Oct 3, 2024

• Fix import statements in some configs

  Show description for 38df5df
  jsspencer

  committed
  38df5df

Commits on Sep 24, 2024

• Add option to use folx.batched_vmap in loss to reduce memory overhead

  Show description for fa11e80
  

  dpfau

  authored and

  jsspencer

  committed
  fa11e80

Commits on Aug 22, 2024

• Remove the TwoKroneckerFactored class and use the KroneckerFactored class instead.

  Show description for 67cf795
  

  FermiNet Contributor

  authored and

  dpfau

  committed
  67cf795

• Merge pull request #75 from halvarsu:pylint_compatability

  Show description for 4514bf5
  dpfau

  committed
  4514bf5

• Remove jax.jit decorators on MCMC functions.

  Show description for 0d92cc6
  

  jsspencer

  authored and

  dpfau

  committed
  0d92cc6

• Add tests and configs for all experiments from Pfau, Axelrod, Sutterud, von Glehn and Spencer (2024)

  Show description for 286e3f7
  dpfau

  committed
  286e3f7

• Add ensemble penalty method of Wheeler, Kleiner and Wagner (https://arxiv.org/abs/2312.00693) for excited states

  Show description for 336bbee
  dpfau

  committed
  336bbee

• Enable pretraining with samples from SCF wavefunction and pseudopotentials

  Show description for 2b034ad
  dpfau

  committed
  2b034ad

• Rescale the excited states at inference time to improve numerical stability

  Show description for 2383bb3
  dpfau

  committed
  2383bb3

• Update README

  Show description for 31bb082
  dpfau

  committed
  31bb082

• Add option to include spin-magnitude term in Hamiltonian

  Show description for 8e1c747
  dpfau

  committed
  8e1c747

• Add random pretraining strategy for excited states

  Show description for eb616a8
  dpfau

  committed
  eb616a8

• Correctly transpose reciprocal vectors in Ewalds sum

  Show description for 52e3329
  dpfau

  committed
  52e3329

• Enable all combinations of folx + complex wavef'n + excited states

  Show description for fa0f0d0
  dpfau

  committed
  fa0f0d0

Commits on Jun 4, 2024

• Simplifying the LayerTag Primitive machinary.

  Show description for 82d89b4
  

  FermiNet Contributor

  authored and

  jsspencer

  committed
  82d89b4

• Make amount of VMC gradient to add to WQMC configurable

  Show description for 41ff8d1
  

  dpfau

  authored and

  jsspencer

  committed
  41ff8d1

• * Adding damping to the curvature update methods.

  Show description for 1815983
  

  FermiNet Contributor

  authored and

  jsspencer

  committed
  1815983

• Replace deprecated jax.tree_* functions with jax.tree.*

  Show description for 3d453fa
  

  Jake VanderPlas

  authored and

  jsspencer

  committed
  3d453fa

Commits on Apr 26, 2024

• Use fully qualified names for pylint overgeneral-exceptions (for pylint>=3.0)

  halvarsu

  committed
  2364f0e

Commits on Apr 15, 2024

• Correct combining of multiple determinants in psiformer with excited states.

  Show description for b02ea69
  jsspencer

  committed
  b02ea69

• Update type for kfac_jax Optimizer.State.

  Show description for 0233831
  jsspencer

  committed
  0233831

• Drop unused H5Writer wrapper around pytables.

  Show description for d5bef67
  jsspencer

  committed
  d5bef67

• Fix bug in copy_tree

  Show description for 8a09e34
  

  dpfau

  authored and

  jsspencer

  committed
  8a09e34

Commits on Dec 20, 2023

• Integrate folx for forward Laplacian computation

  Show description for e94435b
  

  dpfau

  authored and

  jsspencer

  committed
  e94435b

• \mathcal isn't rendering in colab correctly, so remove it

  Show description for bb979a0
  

  dpfau

  authored and

  jsspencer

  committed
  bb979a0

• Loosen test tolerances to better accommodate float32 precision across different jax versions

  Show description for c144ebf
  jsspencer

  committed
  c144ebf

• Fix pytype error due to missing submodule imports.

  Show description for 9e0de9b
  jsspencer

  committed
  9e0de9b

Commits on Nov 27, 2023

• Fix URL in README

  Show description for 29379b5
  

  dpfau

  authored and

  jsspencer

  committed
  29379b5

Commits on Nov 24, 2023

• Update README with info on excited states and add analysis Colab

  Show description for 2939a80
  

  dpfau

  authored and

  jsspencer

  committed
  2939a80

• Merge pull request #71 from gcassella:gcassella/update-kfac-api

  Show description for 6eab988
  jsspencer

  committed
  6eab988

• Add observables, including excited states, and log results

  Show description for c6b82bf
  

  dpfau

  authored and

  jsspencer

  committed
  c6b82bf

• Add bottleneck envelope to FermiNet and Psiformer

  Show description for 5394dba
  

  dpfau

  authored and

  jsspencer

  committed
  5394dba

• Enable pseudopotentials for QMC, including excited states. Thanks to Halvard Sutterud.

  Show description for c920271
  

  dpfau

  authored and

  jsspencer

  committed
  c920271

• Enable pretraining for excited states, add pure-JAX GTO, make Scf traceable.

  Show description for dd4571e
  

  dpfau

  authored and

  jsspencer

  committed
  dd4571e

Pagination

PreviousNext