探索全球前沿学术脉络

Robust and Interpretable Adaptation of Equivariant Materials Foundation Models via Sparsity-promoting Fine-tuning

arXiv:2606.18691v1 Announce Type: new Abstract: Pre-trained materials foundation models, or machine learning interatomic potentials, leverage general physicochemical knowledge to effectively approximate potential energy surfaces. However, they often require domain-specific calibration due to physicochemical diversity as well as mismatches between practical computational settings and those used in constructing the pre-training data. To address this, we propose a sparsity-promoting fine-tuning method that selectively updates model parameters by exploiting the structural properties of E(3)-equivariant materials foundation models. On energy and force prediction tasks across molecular and crystalline benchmarks, our method matches or surpasses full fine-tuning and equivariant low-rank adaptation while updating only $\sim$3~\% of parameters, and in some cases as little as $\sim$0.5~\%. Beyond energy and force calibration, we further demonstrate task generalizability by applying our method to magnetic moment prediction and magnetism-aware total energy modeling. Finally, analysis of sparsity patterns reveals physically interpretable signatures, such as enhanced $d$-orbital contributions in transition metal systems. Overall, our results establish sparsity-promoting fine-tuning as a flexible and interpretable method for domain specialization of equivariant materials foundation models.

Root-Selecting Fixed-Point Inversion for Rectified Flows via Trajectory Straightness

Finding the initial noise that generates a given data sample, known as inversion, is a key component for downstream applications such as training-free image editing. Existing fixed-point inversion methods improve inversion accuracy by formulating each inversion step as a fixed-point problem, but they lack a principled mechanism for selecting among multiple fixed-point solutions that can arise in practice. We observe that different selections induce different inversion trajectories, leading to substantial variation in reconstruction and editing quality. For rectified flows, we further find that this variation is closely associated with trajectory straightness, motivating straightness as a principled selection criterion. We propose SelFix, a fixed-point inversion method that selects fixed-point solutions inducing straighter inverse trajectories while retaining convergence to an exact inverse root under standard local assumptions. Experiments on FLUX.1-dev and PIE-Bench show that SelFix improves fixed-point inversion, achieving stronger real-image reconstruction and better source-preserving prompt-based editing than prior inversion baselines. The code is available at https://github.com/seminkim/selfix.

Variable-Length Tokenization via Learnable Global Merging for Diffusion Transformers

arXiv:2606.20076v1 Announce Type: cross Abstract: Latent Diffusion Models (LDMs) have become dominant in visual synthesis, but their quality-compute trade-off is largely constrained by the tokenizer's fixed compression ratio. Variable-length tokenizers (VLTs) promise adaptive compression by varying token counts, allowing diffusion models to flexibly balance quality and compute. However, conventional VLTs modulate length by truncating ordered token sequences, which makes token semantics depend on token position and breaks representational alignment across lengths. This leads to a cross-length shift in the latent distribution that hinders a single variable-length diffusion model from operating effectively. To address this, we propose a novel variable-length tokenizer that modulates length by merging tokens. We show that encouraging similar tokens to merge enables direct cross-length representation alignment when the diffusion transformer operates according to the merging pattern. Since conventional merging methods are data-dependent, making the merging pattern inaccessible during generation, we introduce learnable global merging, which is data-independent, to ensure compatibility with diffusion transformers. On ImageNet 256$\times$256 generation, our merging-based variable-length tokenizer integrated with a diffusion transformer achieves a superior gFID-compute trade-off compared to prior VLT methods. Code is available at [this https URL](https://github.com/movinghoon/lgm)