Abstract:On-policy self-distillation (OPSD) has proven effective for post-training large language models (LLMs), yet its application to diffusion LLMs (dLLMs) remains unexplored. Existing OPSD methods are inherently autoregressive-centric. They inject privileged information via left-to-right prefix conditioning with token-level divergence supervision, a design that fundamentally conflicts with the arbitraryorder generation of dLLMs. We introduce d-OPSD, the first OPSD framework tailored for dLLMs. Our approach makes two core contributions. First, we reframe self-teacher construction by using self-generated answers as suffix conditioning, enabling the student model to learn from "self future-experience" rather than privileged prefixes. Second, we shift supervision from token-level to step-level, aligning training with the iterative denoising process of dLLMs. Experiments across four reasoning benchmarks show that d-OPSD consistently outperforms RLVR and SFT baselines with superior sample efficiency, requiring only around 10% of the optimization steps by RLVR and opening a promising pathway for dLLM posttraining. The code is available at https://github.com/xingzhejun/d-OPSD.
Abstract:While generative AI models have demonstrated remarkable success in structure-based drug design, they predominantly rely on deep binding pockets and struggle to sample effective ligands for challenging low-pocketability targets, such as the historically "undruggable" oncology targets KRAS and MYC. To address this gap, we introduce ShallowBench, a strictly curated benchmark of 5,780 shallow-pocket targets extracted from CrossDocked2020. By computing the difference between an Alpha Shape "lid" volume and the underlying protein atom voxel volume, we successfully isolated targets with low concavity while ensuring sufficient surface area for binding. Evaluating various state-of-the-art generative models reveals weaker predicted binding affinity on these low-concavity interfaces. ShallowBench therefore provides a rigorous benchmark for generative biology models and highlights the necessity of new architectural innovations or loss functions capable of navigating these challenging targets.
Abstract:Mixture-of-Experts (MoE) architectures scale model capacity through sparse expert activation, but their deployment remains memory-bound because all expert weights must reside in memory. Mixed-precision quantization can substantially reduce this footprint by assigning different bit-widths to different experts. Existing approaches, however, typically rely on calibration data to estimate expert importance and determine bit allocation. For frontier MoE LLMs, the original training data, and hence the true training distribution, is proprietary and inaccessible. As a result, calibration sets are inevitably imperfect surrogates, and this can misestimate expert utilization and lead to suboptimal bit allocation. Motivated by the substantial cross-expert quality variability observed in modern MoE models, and by the success of Heavy-Tailed Self-Regularization (HT-SR) theory at predicting neural network model quality without access to training or testing data, we propose AlphaQ, a calibration-free bit-allocation method for MoE quantization. AlphaQ draws on HT-SR theory and follows a simple principle: experts with more heavy-tailed weight spectra are typically better trained and hence should receive higher bit-widths, while experts with weaker heavy-tailed structure can be quantized more aggressively. AlphaQ operationalizes this principle by measuring expert-wise spectral heavy-tailedness and solving a budget-constrained optimization problem that minimizes total quantization error under a global bit-budget constraint. Across several MoE models, AlphaQ consistently outperforms calibration-based baselines under matched bit budgets. Notably, on Qwen1.5-MoE, AlphaQ achieves near full-precision accuracy with an average expert precision of only 3.5 bits, while delivering more than 4$\times$ memory compression. Our code is available at https://github.com/Superone77/AlphaQ.
Abstract:Learning rate configuration is a fundamental aspect of modern deep learning. The prevailing practice of applying a uniform learning rate across all layers overlooks the structural heterogeneity of Transformers, potentially limiting their effectiveness as the backbone of Large Language Models (LLMs). In this paper, we introduce Layerwise Learning Rate (LLR), an adaptive scheme that assigns distinct learning rates to individual Transformer layers. Our method is grounded in Heavy-Tailed Self-Regularization (HT-SR) theory, which characterizes the empirical spectral density (ESD) of weight correlation matrices to quantify heavy-tailedness. Layers with weaker heavy-tailedness are assigned larger learning rates to accelerate their training, while layers with stronger heavy-tailedness receive smaller learning rates. By tailoring learning rates in this manner, LLR promotes balanced training across layers, leading to faster convergence and improved generalization. Extensive experiments across architectures (from LLaMA to GPT-nano), optimizers (AdamW and Muon), and parameter scales (60M-1B) demonstrate that LLR achieves up to 1.5x training speedup and outperforms baselines, notably raising average zero-shot accuracy from 47.09% to 49.02%. A key advantage of LLR is its low tuning overhead: it transfers nearly optimal LR settings directly from the uniform baseline. Code is available at https://github.com/hed-ucas/Layer-wise-Learning-Rate.
Abstract:Diffusion language models (DLMs) have recently emerged as competitive alternatives to autoregressive (AR) language models, yet differences in their activation dynamics remain poorly understood. We characterize these dynamics in LLaDA-8B and identify a striking layer-collapse property: a few early layers exhibit highly similar, collapsed activation patterns dominated by a single large super-outlier persisting over a long token range. Despite its apparent redundancy, this outlier is critical: pruning it causes outputs to degrade into repetitive random token loops. Paradoxically, layers in LLaDA contain more redundant representations overall, with redundancy most pronounced in earlier layers -- the reverse of AR models, where deeper layers grow redundant due to undertraining. Our analysis indicates that layer collapse in DLMs is not driven by undertraining but by overtraining: a dominant outlier becomes an indispensable information carrier while remaining representations collapse into redundant structure. These findings have strong practical implications, verified through controlled pre-training experiments. DLMs are surprisingly robust to compression: LLaDA under 3-bit GPTQ quantization drops only -1.8% on GSM8K, whereas Llama-3.1-8B drops -64.7%. Optimal sparsity allocation also reverses between families: at 50% average sparsity, allocating more to early layers in LLaDA yields +8.4% over the reverse strategy, while the same allocation costs Llama -8.4%. Our findings reveal that the DLM training objective fundamentally reshapes layer dynamics relative to AR models, with direct consequences for compression and deployment. Code: github.com/Conzel/super-outlier-dlm.
Abstract:Large Language Models (LLMs) have achieved remarkable capabilities, but their immense computational demands during training remain a critical bottleneck for widespread adoption. Low-rank training has received attention in recent years due to its ability to significantly reduce training memory usage. Meanwhile, applying 2:4 structured sparsity to weights and activations to leverage NVIDIA GPU support for 2:4 structured sparse format has become a promising direction. However, existing low-rank methods often leave activation matrices in full-rank, which dominates memory consumption and limits throughput during large-batch training. Furthermore, directly applying sparsity to weights often leads to non-negligible performance degradation. To achieve efficient pre-training of LLMs, this paper proposes ELAS: Efficient pre-training of Low-rank LLMs via 2:4 Activation Sparsity, a novel framework for low-rank models via 2:4 activation sparsity. ELAS applies squared ReLU activation functions to the feed-forward networks in low-rank models and implements 2:4 structured sparsity on the activations after the squared ReLU operation. We evaluated ELAS through pre-training experiments on LLaMA models ranging from 60M to 1B parameters. The results demonstrate that ELAS maintains performance with minimal degradation after applying 2:4 activation sparsity, while achieving training and inference acceleration. Moreover, ELAS reduces activation memory overhead, particularly with large batch sizes. Code is available at ELAS Repo.
Abstract:Autoregressive video generation paradigms offer theoretical promise for long video synthesis, yet their practical deployment is hindered by the computational burden of sequential iterative denoising. While cache reuse strategies can accelerate generation by skipping redundant denoising steps, existing methods rely on coarse-grained chunk-level skipping that fails to capture fine-grained pixel dynamics. This oversight is critical: pixels with high motion require more denoising steps to prevent error accumulation, while static pixels tolerate aggressive skipping. We formalize this insight theoretically by linking cache errors to residual instability, and propose MotionCache, a motion-aware cache framework that exploits inter-frame differences as a lightweight proxy for pixel-level motion characteristics. MotionCache employs a coarse-to-fine strategy: an initial warm-up phase establishes semantic coherence, followed by motion-weighted cache reuse that dynamically adjusts update frequencies per token. Extensive experiments on state-of-the-art models like SkyReels-V2 and MAGI-1 demonstrate that MotionCache achieves significant speedups of $\textbf{6.28}\times$ and $\textbf{1.64}\times$ respectively, while effectively preserving generation quality (VBench: $1\%\downarrow$ and $0.01\%\downarrow$ respectively). The code is available at https://github.com/ywlq/MotionCache.
Abstract:Recent work has demonstrated the curse of depth in large language models (LLMs), where later layers contribute less to learning and representation than earlier layers. Such under-utilization is linked to the accumulated growth of variance in Pre-Layer Normalization, which can push deep blocks toward near-identity behavior. In this paper, we demonstrate that, sparsity, beyond enabling efficiency, acts as a regulator of variance propagation and thereby improves depth utilization. Our investigation covers two sources of sparsity: (i) implicit sparsity, which emerges from training and data conditions, including weight sparsity induced by weight decay and attention sparsity induced by long context inputs; and (ii) explicit sparsity, which is enforced by architectural design, including key/value-sharing sparsity in Grouped-Query Attention and expert-activation sparsity in Mixtureof-Experts. Our claim is thoroughly supported by controlled depth-scaling experiments and targeted layer effectiveness interventions. Across settings, we observe a consistent relationship: sparsity improves layer utilization by reducing output variance and promoting functional differentiation. We eventually distill our findings into a practical rule-of-thumb recipe for training deptheffective LLMs, yielding a notable 4.6% accuracy improvement on downstream tasks. Our results reveal sparsity, arising naturally from standard design choices, as a key yet previously overlooked mechanism for effective depth scaling in LLMs. Code is available at https://github.com/pUmpKin-Co/SparsityAndCoD.
Abstract:Diffusion Language Models (DLMs) are often advertised as enabling parallel token generation, yet practical fast DLMs frequently converge to left-to-right, autoregressive (AR)-like decoding dynamics. In contrast, genuinely non-AR generation is promising because it removes AR's sequential bottleneck, better exploiting parallel hardware to reduce synchronization/communication overhead and improve latency scaling with output length. We argue that a primary driver of AR-like decoding is a mismatch between DLM objectives and the highly sequential structure of widely used training data, including standard pretraining corpora and long chain-of-thought (CoT) supervision. Motivated by this diagnosis, we propose NAP (Non-Autoregressive Parallel DLMs), a proof-of-concept, data-centric approach that better aligns supervision with non-AR parallel decoding. NAP curates examples as multiple independent reasoning trajectories and couples them with a parallel-forced decoding strategy that encourages multi-token parallel updates. Across math reasoning benchmarks, NAP yields stronger performance under parallel decoding than DLMs trained on standard long CoT data, with gains growing as parallelism increases. Our results suggest that revisiting data and supervision is a principled direction for mitigating AR-like behavior and moving toward genuinely non-autoregressive parallel generation in DLMs. Our code is available at https://github.com/pixeli99/NAP.
Abstract:Diffusion Language Models (DLMs) generate text by iteratively denoising a masked sequence, repeatedly deciding which positions to commit at each step. Standard decoding follows a greedy rule: unmask the most confident positions, yet this local choice can lock the model into a suboptimal unmasking order, especially on reasoning-heavy prompts. We present SOAR, a training-free decoding algorithm that adapts its behavior to the model's uncertainty. When confidence is low, SOAR briefly widens the search over alternative unmasking decisions to avoid premature commitments; when confidence is high, it collapses the search and decodes many positions in parallel to reduce the number of denoising iterations. Across mathematical reasoning and code generation benchmarks (GSM8K, MBPP, HumanEval) on Dream-7B and LLaDA-8B, SOAR improves generation quality while maintaining competitive inference speed, offering a practical way to balance quality and efficiency in DLM decoding.