FluxLite: Inference-Time Proposal Control for Discrete Diffusion Models
Authors: Yinuo Ren, Haoxuan Chen, Grant M. Rotskoff, Jiequn Han, Lexing Ying
Organizations: Kempner Institute Harvard University · ICME Stanford University · Department of Chemistry Stanford University · Center for Computational Mathematics Flatiron Institute · Department of Mathematics Stanford University
Many inference-time tasks for pretrained discrete diffusion models and diffusion language models reduce to drawing samples from a tilted version of the pretrained distribution. Feynman-Kac sequential Monte Carlo (SMC) makes this correction exact in principle, but its prescribed weights routinely degenerate when the proposal dynamics are misaligned with the tilt, capping the practical gains from additional particles. We introduce FluxLite, a lightweight, training-free proposal-control framework for discrete diffusion. On the sparse directed graph of pretrained reverse rates, any sparse jump-rate perturbation can be exactly compensated by a qt-weighted graph-divergence term in the Feynman-Kac potential; the target path is therefore preserved while the residual reweighting variance becomes a local convex objective. We instantiate this principle as two practical samplers: a one-hop local reallocation rule (HEU) and a small nonnegative quadratic program over pretrained-rate bases (D-VCG). We further prove population stability under the standard score-entropy training loss, identifying a tilted-path coverage factor that governs robustness to score error, together with finite-particle convergence for a fixed controlled Feynman-Kac recursion. Empirically, FluxLite improves over standard Feynman-Kac SMC baselines by up to two orders of magnitude in terminal KL on an analytically tractable finite-state CTMC benchmark, and reduces row-correlation MSE on 2D Ising sampling by 5-7x in geometric mean and up to 55x at peak.
Table 1: Continuous vs. discrete variance-control.
Figure 1: Finite-state CTMC benchmark: terminal \KL(qT∥qTN) for four V=5 , L=3 regimes with N=4000 particles, 80 integration steps, and 10 seeds. D-VCG improves over D-FKC (geometric-mean ratio of terminal KL across seeds) up to 114.8× ; settings and sweeps are in Appendix E .
Figure 2: 2D Ising experiments against a SW reference, with a ghost spin for nonzero fields. Panels report magnetization/energy- W2 , row-correlation MSE(C(r)) , and mean magnetization for PG , D-FKC , and 2-/4-basis D-VCG .
Appendix figures & tables6 assets
Supplementary material from the paper’s appendix.
Appendix
Figure 3: Finite-state CTMC ablations. Across both the parameter sweeps and the particle-count axis, D-VCG matches or improves on the dense oracle DEN without DEN ’s tractability assumptions.
Figure 4: Further 2D Ising configurations. The same axes and methods as Fig. 2 confirm that the D-VCG advantage (i) holds for a second base-model training temperature ( a ) and (ii) survives in the pure-tilt limit ( γ=1 , λeff=0 , panel b ), where the joint-mode anchor reduces to the free-controller D-VCG of Proposition 3.6 .
Figure 5: Particle-count sweep at βr=0.20 , βtrain=βtarget=0.4 , γ=1 , λeff=0 (Config 3). Across N∈{100,…,5000} , D-VCG (4-basis) reduces MSE(C(r)) over D-FKC by 15.21× in geometric mean, with peak 34.7× at N=1000 , showing that the advantage does not close as N grows.
ρ=40%
ρ=60%
Hellinger ↓
Meas. Error ↓
Hellinger ↓
Meas. Error ↓
SGDD
0.076
4.93
0.151
6.11
D-FKC
0.033
0.29
0.081
0.88
D-VCG
0.035
0.00
0.079
0.05
Appendix
Table 2: Quantitative evaluation on monophonic music infilling. Lower is better.
MPS ↑
HPSv2 ↑
D-FKC
15.282±0.032
0.2980±0.0003
D-VCG
15.422±0.032
0.3033±0.0003
Appendix
Table 3: Quantitative evaluation on CFG text-to-image generation: mean ± standard error over 100 prompts. Higher is better.
Prompt
An anime dragon rider above snowy mountains, scarf trailing behind in the wind.
A dramatic anime close-up of a masked hero under falling snow, city skyline behind.
Concept art of a giant mechanical whale swimming through clouds above a coastal town.
D-FKC
D-VCG
Prompt
Concept art of a hidden pirate cove with waterfalls, wooden bridges, and lantern-lit paths.
A soft acrylic painting of a lighthouse on cliffs during a calm blue evening.
A watercolor botanical illustration of orchids, ferns, and delicate green leaves.
D-FKC
D-VCG
Appendix
Table 4: Qualitative comparison of D-FKC and D-VCG on six representative CFG prompts.
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Lohithsai Yadala Chanchu, Hany Abdulsamad, Christian A. Naesseth
Inference-time scaling adapts pretrained diffusion models to new sampling tasks without additional training. Existing methods rely primarily on Monte Carlo sampling with more particles, yet are premised on the pretrained model being exact. In practice, data and training limitations make the model imperfect, and these methods inherit its error. More particles reduce Monte Carlo error but cannot remove the mismatch between the endpoint and the desired target or the error in tracking the prescribed probability path. We introduce the Energy-based Feynman-Kac Corrector (EBFKC), a framework for energy-based diffusion models that corrects these errors on the fly given a reference energy. We first derive Feynman-Kac dynamics that track a prescribed path exactly in the continuous-time population limit even when the model is imperfect, and approximate these dynamics using sequential Monte Carlo with variance-controlling guidance. To remove the endpoint mismatch, we use the pretrained energy as a surrogate along the diffusion path and progressively incorporate the discrepancy between the learned and target terminal energies. Experiments on Gaussian mixture models, particle systems, alanine dipeptide, and alanine tetrapeptide show that our method closely matches target distributions and molecular free-energy profiles under annealing and reward tilting, whereas standard inference-time scaling baselines retain substantial sampling errors.
Zuokai Wen, Louis Grenioux, Weinan E +1
School of Artificial Intelligence, Shanghai Jiao Tong University · Center for Computational Mathematics, Flatiron Institute · School of Mathematical Sciences, Peking University
Discrete diffusion models have emerged as powerful frameworks for generating structured categorical data. However, efficiently sampling from reward-tilted distributions remains a fundamental challenge. While Twisted Sequential Monte Carlo (SMC) offers asymptotic exactness for this task, estimating the optimal twist function in discrete state spaces necessitates costly Monte Carlo approximations, resulting a severe computational bottleneck at inference. To overcome this limitation, we introduce Contrastive Distribution Matching (CDM), a novel framework that amortizes the cost of SMC inference by learning a parameterized twist function via positive and negative samples. For efficient training, we reformulate the gradient estimator to leverage the closed-form forward kernels of discrete diffusion models. In practice, evaluating our learned twist function incurs less than 5% additional computational overhead compared to a single forward pass of the base model. Through extensive empirical evaluations, we demonstrate that CDM consistently outperforms existing baselines under matched wall-clock time. We validate the effectiveness and versatility of our approach across a diverse range of applications, including toxic text generation, regulatory DNA sequence design, protein designability, and diffusion large language model alignment.