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Fisher Flow Matching for Generative Modeling over Discrete Data

NeurIPS 2024 · Probabilistic and scientific modeling › Variational and generative sampling · approach: Flow matching and flow sampling · 6 citations (OpenAlex)

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Proposes Fisher-Flow, a flow-matching generative model over the probability simplex for discrete data that uses the Fisher-Rao geometry, evaluated on DNA, LM1B text, and molecule generation.

Problem

Generative modeling over discrete data is dominated by autoregressive models, while diffusion and flow-matching alternatives lag behind their continuous-data performance.

Approach

Treats discrete data as categorical distributions on the statistical manifold of the simplex and performs flow matching under the Fisher-Rao geometry (Fisher-information metric), giving a principled continuous flow for discrete variables.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Use Fisher-Flow instead of MDLM with 33B training tokensLM1B generative modeling · LM1B testPPL: ≤ 27.04 -> ≤ 26.51Helped
Use Fisher-Flow instead of MDLM with 327B training tokensLM1B generative modeling · LM1B testPPL: ≤ 23.00 -> ≤ 22.42Helped
Use Fisher-Flow instead of Linear FMDNA generation · PromoterMSE: 0.056 -> 0.029 ± 0.001Helped
Use Fisher-Flow instead of Dirichlet FMDNA generation · PromoterMSE: 0.034 ± 0.001 -> 0.029 ± 0.001Helped
Use Fisher-Flow instead of Linear FMDNA generation · Enhancer MelanomaPPL (LL): ≤ 1.33 -> ≤ 1.4 ± 0.1Hurt
Use Fisher-Flow instead of Dirichlet FMDNA generation · Enhancer MelanomaPPL (LL): ≤ 2.25 ± 0.01 -> ≤ 1.4 ± 0.1Helped
Use Fisher-Flow instead of Linear FMDNA generation · Enhancer FlyBrainPPL (LL): ≤ 1.35 -> ≤ 1.4 ± 0.66Hurt
Use Fisher-Flow instead of Dirichlet FMDNA generation · Enhancer FlyBrainPPL (LL): ≤ 2.25 ± 0.02 -> ≤ 1.4 ± 0.66Helped
Use Fisher-Flow instead of JODOmolecule generation · MoleculesMolecules Valid (%): 98.9 -> 95.3Hurt
Use Fisher-Flow instead of EquiFMmolecule generation · MoleculesMolecules Valid (%): 94.4 -> 95.3Helped

Surprising findings

Limitations

Experimental setup

Datasets: LM1B DNA promoter dataset enhancer Melanoma dataset enhancer FlyBrain dataset molecule generation dataset

Benchmarks: LM1B DNA promoter DNA enhancer Melanoma DNA enhancer FlyBrain molecule generation (atom and molecule stability)

Metrics: test perplexity generated perplexity (Gen-PPL) MSE atoms stable % molecules valid % molecules stable %

Baselines: Linear FM Dirichlet FM MDLM SEDD JODO EquiFM D3PM DiffusionBert Diffusion-LM Transformer (autoregressive)

Builds on: flow matching MDLM Dirichlet flow matching

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