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Shiwei Liu

Publications and source records attributed to Shiwei Liu.

At least 19 recordsLinked to original sources
arXiv2026

Amortizing Scaling Law Construction Costs

Scaling laws guide the design choices for training large foundation models, but deriving them involves training an exhaustive grid over hyperparameters, token budgets, and parameter counts, which is computationally expensive. Fitting a scaling law, however, only requires the best-loss frontier across compute scales, discarding most of the trained configurations. We propose a framework for efficient scaling law construction that formulates data collection as a Bayesian optimization problem, and introduce metrics for comparing scaling law fitting methods under constrained compute budgets. We find that progressively expanding the compute budget during acquisition, mirroring the compute-ordered evaluation of configurations in practice, substantially improves recovery efficiency. Augmenting the observed configurations with surrogate-fantasized evaluations then recovers the broader experimental grid, allowing accurate scaling law fitting without training every configuration. Together, these can closely match scaling law fits over a full dense grid at computational savings of up to $10\text{--}100\times$.

cs.LG↗
arXiv2026

Human-Human & Human-Robot Interaction Transformer (H2INT) for Robot Navigation in Dense and Uncertain Crowds

Safe robot navigation in dense crowds requires reasoning about pedestrian motion and how it may change in response to a robot. However, many learning-based approaches generate pedestrian motion independently of the robot or assume uniform reciprocity, omitting an important source of interaction uncertainty. This paper presents a Human-Human & Human-Robot Interaction Transformer (H2INT), a reinforcement learning framework that retains robot-conditioned changes in pedestrian motion during policy learning while allowing responsiveness to vary across pedestrians. Responsiveness affects the crowd dynamics when the robot is visible but is not supplied as a policy input; the policy must instead infer its consequences from robot-centered relative positions. A two-stage gated Transformer progressively encodes human-human and human-robot relations, while a recurrent policy captures their temporal evolution. A curriculum gradually reduces pedestrian responsiveness to increase interaction difficulty. Simulation experiments demonstrate improved navigation safety and robustness over representative baselines across response conditions and crowd densities, and show transfer without retraining to structurally distinct crowd-flow layouts. Ablations support the hierarchical relational encoding and gated updates. Real-robot deployment further verifies that the learned policy can operate with sparse observations in a physical environment.

cs.RO↗
arXiv2026

ISO: An RLVR-Native Optimization Stack

Reinforcement learning with verifiable rewards (RLVR) is rapidly advancing the reasoning capabilities of language models, yet the optimization layer that converts reward feedback into weight-space updates remains poorly understood. Building on our prior analysis (Zhu et al., 2025), we study this missing layer through the singular structure of model weights and identify spectral inheritance: RLVR can reuse the base model's weight spectra while acquiring new behavior through changes in the associated input and output singular frames. We operationalize spectral inheritance as Isospectral Optimization (ISO), an RLVR-native, fixed-spectrum optimization framework with complementary offline and online instantiations. Offline, ISO-Merger combines the frame changes of shared-base specialists into a single fixed-spectrum model, requiring no post-merge data, rollouts, gradient updates, or on-policy distillation (OPD). It recovers complementary specialist capabilities and achieves the strongest aggregate performance among the compared data-free merging methods. Online, ISO-Optimizer applies a chosen base optimizer, including AdamW and Muon, to the frame variables while keeping the base spectra fixed. Across reasoning and coding tasks ranging from 1.5B to 8B parameters, ISO-Optimizer improves accuracy in the reported runs and reaches matched scores with substantially fewer training steps. On Qwen3-8B-Base, AdamW reaches an aggregate accuracy of 0.495 after 270 training steps. ISO-AdamW reaches the same accuracy after only 100 training steps and improves further to 0.509 after 210 training steps. Together, ISO offers a concrete answer to RLVR's missing optimization layer: rather than inheriting pre-training optimization wholesale, design post-training around the structure of reward-driven adaptation: inherit the spectrum, optimize the frames.

cs.LG↗
arXiv2026

SLORR: Simple and Efficient In-Training Low-Rank Regularization

Low-rank factorization is widely used to compress neural networks, but modern models are often not naturally amenable to aggressive factorization without significant accuracy loss. Existing training-time low-rank regularizers can improve compressibility, but they often require SVDs of large weight matrices, modify the model architecture (introducing additional trainable parameters), or rely on stateful cached quantities. To address these limitations, we introduce SLORR, a simple, stateless, and architecture-preserving framework for in-training low-rank regularization, instantiated with two main variants based on the Hoyer sparsity metric and the nuclear norm. SLORR directly regularizes the original weight matrices using GPU-friendly approximations for the forward and backward passes of the regularizers, for which we provide approximation guarantees. We first evaluate SLORR on ImageNet-1K across short-horizon continued training of ResNet-50, ViT-B/16, and ViT-L/16, and pretraining of ResNet-18, where SLORR induces compressibility while introducing less than 8% training overhead. We further evaluate SLORR-Hoyer in LLM pretraining at 135M and 560M scales: SLORR-trained compressed models preserve performance substantially better than unregularized models while adding less than 1% average training overhead.

cs.LG↗
arXiv2026

Learning from the Self-future: On-policy Self-distillation for dLLMs

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.

cs.CL↗
arXiv2026

ShallowBench: Benchmarking Generative Drug Design Models on Shallow-Pocket Targets

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.

cs.LG↗
arXiv2026

AlphaQ: Calibration-Free Bit Allocation for Mixture-of-Experts Quantization

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.

cs.LG↗
arXiv2026

One LR Doesn't Fit All: Heavy-Tail Guided Layerwise Learning Rates for LLMs

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 training, while layers with stronger heavy-tailedness receive smaller learning rates. By tailoring learning rates in this manner, LLR promotes more balanced training across layers, leading to faster convergence and improved generalization. Extensive experiments across architectures ranging from LLaMA to GPT-nano, optimizers including AdamW and Muon, and model scales from 60M to 3B parameters with up to 100B training tokens demonstrate the effectiveness of LLR. LLR achieves up to 1.5x training speedup and consistently outperforms uniform-learning-rate baselines. In particular, it improves the average zero-shot accuracy of 1B models from 47.09% to 49.02%, and that of 3B models from 48.58% to 50.61%. A key advantage of LLR is its low tuning overhead: it can transfer nearly optimal learning-rate settings directly from the uniform baseline. Code is available at https://github.com/hed-ucas/Layer-wise-Learning-Rate.

cs.LG↗
arXiv2026

Layer Collapse in Diffusion Language Models

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.

cs.LG↗
arXiv2026

ELAS: Efficient Pre-Training of Low-Rank Large Language Models via 2:4 Activation Sparsity

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.

cs.LG↗
arXiv2026

Motion-Aware Caching for Efficient Autoregressive Video Generation

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.

cs.CV↗
arXiv2026

When Does Sparsity Mitigate the Curse of Depth in LLMs

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 provide evidence that sparsity-like mechanisms can dampen variance propagation and are associated with improved 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 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: mechanisms with reduced effective interaction density tend to exhibit lower output variance and better layer differentiation. We eventually distill our findings into a practical rule-of-thumb recipe for training depth-effective LLMs, yielding a notable 4.6 accuracy improvement on downstream tasks. Our results suggest that sparsity-like design choices are an important and previously underemphasized factor in effective depth scaling for LLMs. Code is available at https://github. com/pUmpKin-Co/SparsityAndCoD.

cs.CL↗
arXiv2026

Why Diffusion Language Models Struggle with Truly Parallel (Non-Autoregressive) Decoding?

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.

cs.CL↗
arXiv2026

ActTail: Global Activation Sparsity in Large Language Models

Activation sparsity is a promising approach for accelerating large language model (LLM) inference by reducing computation and memory movement. However, existing activation sparsity methods typically apply uniform sparsity across projections, ignoring the heterogeneous statistical properties of Transformer weights and thereby amplifying performance degradation. In this paper, we propose ActTail, a TopK magnitude-based activation sparsity method with global activation sparsity allocation grounded in Heavy-Tailed Self-Regularization (HT-SR) theory. Specifically, we capture this heterogeneity via the heavy-tail exponent computed from each projection's empirical spectral density (ESD), which is used as a quantitative indicator to assign projection-specific sparsity budgets. Importantly, we provide a theoretical analysis that establishes an explicit relationship between the activation sparsity ratio and the heavy-tail exponent under the HT-SR regime, offering principled guidance for sparsity allocation beyond heuristic design. Experiments on LLaMA and Mistral models show that our method improves both perplexity and downstream task performance at high sparsity compared to uniform allocation. At 80% sparsity, perplexity is reduced by 21.8% on LLaMA-2-7B, 40.1% on LLaMA-2-13B, and 9.4% on Mistral-7B.

cs.CL↗
arXiv2026

Search or Accelerate: Confidence-Switched Position Beam Search for Diffusion Language Models

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. Our Code is available at https://github.com/duterscmy/SOAR

cs.CL↗
arXiv2025

When Fewer Layers Break More Chains: Layer Pruning Harms Test-Time Scaling in LLMs

Layer pruning has emerged as a widely adopted technique for improving the efficiency of large language models (LLMs). Although existing methods demonstrate strong performance retention on general knowledge tasks, their effect on long-chain reasoning, a more brittle yet crucial capability, remains largely unexplored. In this work, we study the impact of layer pruning on long-chain reasoning through the lens of test-time scaling, a key mechanism in modern LLMs that enables strong reasoning capacity by allocating more computation at inference time. With extensive experiments, we demonstrate that pruning even one or two layers can severely impair test-time scaling, with performance collapsing drastically on long reasoning benchmarks even when performance on knowledge-intensive and shallow reasoning tasks remains stable. Furthermore, we find that standard supervised fine-tuning remedies fail to recover test-time scaling once it has deteriorated. Through in-depth analyses, we identify the mechanisms underlying this fragility of test-time scaling and highlight the fundamental risks of applying layer pruning to reasoning-intensive LLMs. These findings call for a rethinking of layer pruning strategies and provide insights for developing methods that preserve the robustness of reasoning. We open-source the codebase in \href{https://github.com/keyu-wang-2002/Layer-Pruning-Harms-Inference-Scaling}{https://github.com/keyu-wang-2002/Layer-Pruning-Harms-Inference-Scaling}.

cs.LG↗
arXiv2025

Rewiring Experts on the Fly:Continuous Rerouting for Better Online Adaptation in Mixture-of-Expert models

Mixture-of-Experts (MoE) models achieve efficient scaling through sparse expert activation, but often suffer from suboptimal routing decisions due to distribution shifts in deployment. While existing test-time adaptation methods could potentially address these issues, they primarily focus on dense models and require access to external data, limiting their practical applicability to MoE architectures. However, we find that, instead of relying on reference data, we can optimize MoE expert selection on-the-fly based only on input context. As such, we propose \textit{a data-free, online test-time framework} that continuously adapts MoE routing decisions during text generation without external supervision or data. Our method cycles between two phases: During the prefill stage, and later in regular intervals, we optimize the routing decisions of the model using self-supervision based on the already generated sequence. Then, we generate text as normal, maintaining the modified router until the next adaption. We implement this through lightweight additive vectors that only update router logits in selected layers, maintaining computational efficiency while preventing over-adaptation. The experimental results show consistent performance gains on challenging reasoning tasks while maintaining robustness to context shifts. For example, our method achieves a 5.5\% improvement on HumanEval with OLMoE. Furthermore, owing to its plug-and-play property, our method naturally complements existing test-time scaling techniques, e.g., achieving 6\% average gains when incorporated with self-consistency on DeepSeek-V2-Lite.

cs.CL↗
arXiv2025

Neural Sum-of-Squares: Certifying the Nonnegativity of Polynomials with Transformers

Certifying nonnegativity of polynomials is a well-known NP-hard problem with direct applications spanning non-convex optimization, control, robotics, and beyond. A sufficient condition for nonnegativity is the Sum of Squares (SOS) property, i.e., it can be written as a sum of squares of other polynomials. In practice, however, certifying the SOS criterion remains computationally expensive and often involves solving a Semidefinite Program (SDP), whose dimensionality grows quadratically in the size of the monomial basis of the SOS expression; hence, various methods to reduce the size of the monomial basis have been proposed. In this work, we introduce the first learning-augmented algorithm to certify the SOS criterion. To this end, we train a Transformer model that predicts an almost-minimal monomial basis for a given polynomial, thereby drastically reducing the size of the corresponding SDP. Our overall methodology comprises three key components: efficient training dataset generation of over 100 million SOS polynomials, design and training of the corresponding Transformer architecture, and a systematic fallback mechanism to ensure correct termination, which we analyze theoretically. We validate our approach on over 200 benchmark datasets, achieving speedups of over $100\times$ compared to state-of-the-art solvers and enabling the solution of instances where competing approaches fail. Our findings provide novel insights towards transforming the practical scalability of SOS programming.

cs.LG↗