Low-bit model quantization for image super-resolution (SR) is a longstanding task that is renowned for its surprising compression and acceleration ability. However, accuracy degradation is inevitable when compressing the full-precision (FP) model to ultra-low bit widths ($2\sim4$ bits). Experimentally, we observe that the degradation of quantization is mainly attributed to the quantization of activation instead of model weights. Considering that the activation quantization error is hard to minimize, minimizing the impact of the error emerges as a good choice, which is described by the condition number. Therefore, we propose CondiQuant, a condition number-based low-bit post-training quantization for image super-resolution. Specifically, we formulate the quantization error of activation as the condition number of weight metrics. By decoupling the representation ability and the quantization sensitivity, we design an efficient proximal gradient descent algorithm to iteratively minimize the condition number and maintain the output. With comprehensive experiments, we demonstrate that CondiQuant outperforms existing state-of-the-art post-training quantization methods in accuracy without computation overhead and gains the theoretically optimal compression ratio in model parameters. Our code will be released soon.
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Deep Learning · Other Representation Learning
The training of Binary Neural Networks (BNNs) is fundamentally based on gradient approximation for non-differentiable binarization operations (e.g., sign function). However, prevailing methods including the Straight-Through Estimator (STE) and its improved variants, rely on hand-crafted designs that suffer from gradient mismatch problem and information loss induced by fixed-range gradient clipping. To address this, we propose SURrogate GradiEnt Adaptation (SURGE), a novel learnable gradient compensation framework with theoretical grounding. SURGE mitigates gradient mismatch through auxiliary backpropagation. Specifically, we design a Dual-Path Gradient Compensator (DPGC) that constructs a parallel full-precision auxiliary branch for each binarized layer, decoupling gradient flow via output decomposition during backpropagation. DPGC enables bias-reduced gradient estimation by leveraging the full-precision branch to estimate components beyond STE's first-order approximation. To further enhance training stability, we introduce an Adaptive Gradient Scaler (AGS) based on an optimal scale factor to dynamically balance inter-branch gradient contributions via norm-based scaling. Experiments on image classification, object detection, and language understanding tasks demonstrate that SURGE performs best over state-of-the-art methods.
Reinforcement Learning · Deep RL
Early exit neural networks, which adapt computation to input complexity, have proven effective in supervised learning but remain largely unexplored in deep reinforcement learning (DRL). In this paper, we propose the use of Budgeted EXit Actor (BEXA), which is a novel actor-critic architecture that integrates early exit branches into the actor network. These branches are trained via the underlying DRL method and use a constrained value-based criterion to decide when to exit, allowing the policy to dynamically adjust its computation. BEXA is general, easy to tune and compatible with any off-policy actor-critic method. We evaluate BEXA using different DRL methods such as SAC and TD3 on a suite of MuJoCo tasks. Our results demonstrate a substantial improvement in inference efficiency with minimal or no loss in performance. These findings highlight early exits as a promising direction for improving computational efficiency in DRL.
Deep Learning · Theory
Weak-to-strong generalization (W2SG) is the phenomenon in which a powerful student model, trained on labels produced by a weaker teacher, ultimately outperforms the teacher on the target task. In this work, we theoretically investigate how W2SG can arise via a generalized bias–variance decomposition under Bregman divergence. We show that the expected population risk gap between the student and the teacher is characterized by the expected misfit between the two models. Unlike earlier misfit-based analyses, our theory removes several restrictive assumptions, e.g., it does not require the student hypothesis class to be convex. Our results indicate that W2SG is more likely when the student effectively approximates the teacher's posterior mean. Specializing to squared loss, we provide a sufficient condition (illustrated through a concrete example) under which the student converges to its posterior mean teacher; in particular, increasing the student model size can ensure this convergence. For cross-entropy loss, our analysis further suggests that lowering the entropy of the student's predictive distribution can promote W2SG. We also find that the reverse cross-entropy, unlike the standard forward cross-entropy, is less sensitive to the teacher's predictive uncertainty. Finally, we verify these theoretical insights empirically and demonstrate that incorporating reverse cross-entropy consistently improves student performance.
Applications · Chemistry, Physics, and Earth Sciences
Large language models (LLMs) are capable of emulating reasoning and using tools, creating opportunities for autonomous agents that execute complex scientific tasks. Protein design provides a natural testbed: although machine learning (ML) methods achieve strong results, these are largely restricted to canonical amino acids and narrow objectives, leaving unfilled need for a generalist tool for broad design pipelines. We introduce Agent Rosetta, an LLM agent paired with a structured environment for operating Rosetta, the leading physics-based heteropolymer design software, capable of modeling non-canonical building blocks and geometries. Agent Rosetta iteratively refines designs to achieve user-defined objectives, combining LLM reasoning with Rosetta's generality. We evaluate Agent Rosetta on design with canonical amino acids, matching specialized models and expert baselines, and with non-canonical residues-where ML approaches fail-achieving comparable performance. Critically, prompt engineering alone often fails to generate Rosetta actions, demonstrating that environment design is essential for integrating LLM agents with specialized software. Our results show that properly designed environments enable LLM agents to make scientific software accessible while matching specialized tools and human experts.
Deep Learning · Large Language Models
Diffusion-based language models (dLLMs) enable parallel token generation through iterative denoising, but existing decoding strategies collapse to single-token generation under low confidence, severely limiting throughput. Unlike autoregressive models where speculative decoding operates on token sequences in a fixed left-to-right order, dLLMs require speculating over \emph{denoising trajectories}—sequences of multi-token updates with explicit positions and unmasking orders. We develop a trajectory-level speculative framework that constructs draft denoising trajectories via confidence-stratified tree exploration and verifies them through blockwise parallel evaluation with bidirectional attention masking. Our method further introduces inter-block speculation, exploiting diffusion models' bidirectional structure to perform cross-block lookahead. We formally characterize when this approach is exact and identify trajectory drift as the fundamental cost of increased parallelism. Building on Fast-dLLM's dual-cache infrastructure, our framework reduces denoising iterations by 30-40\% and increases tokens-per-step from 2.6 to 4.3, achieving 7-14$\times$ speedup over vanilla dLLMs and 1.3$\times$ over Fast-dLLM with less than 1\% accuracy change across reasoning and code benchmarks.
Reinforcement Learning · Deep RL
Group-based reinforcement learning (RL) methods have achieved remarkable success in improving the performance of large language models (LLMs) and have been rapidly extended to agentic tasks. However, their credit assignment relies heavily on coarse-grained trajectory-level attribution according to final outcomes, making it difficult to capture the contribution of individual steps, such as valuable steps obscured within failed trajectories. To uncover latent information and enable more faithful step-level credit assignment, we propose Graph-based Group Policy Optimization (GraphGPO), which first aggregates all rollout trajectories into a unified state-transition graph and then estimates the distance from each state to the task goal using the global information encoded in the graph. Finally, GraphGPO assigns credit to each edge by estimating a graph-based advantage, based on how much the transition reduces the distance to the task goal. In this way, GraphGPO significantly improves training efficiency and achieves state-of-the-art performance across a range of challenging benchmarks.
Dataset distillation (DD) compresses a large training set into a small synthetic set for efficient training, but most DD methods optimize only clean accuracy and leave robustness uncontrolled. Recent robust DD methods improve robustness, yet they often suffer from a poor accuracy–robustness trade-off because they (i) treat all adversarially perturbed examples uniformly, despite robust risk being dominated by near-zero robust margins, and (ii) do not explicitly increase inter-class separation in the decision boundary where attacks concentrate. We present Contrastive Curriculum for Robust Dataset Distillation (C$^2$R), a margin-centric framework that couples an attack-aware curriculum with a contrastive robustness objective. From a robust-margin perspective, we derive a perturbation score that approximates each sample’s robust hinge, enabling a curriculum that prioritizes the smallest-margin adversaries that most directly drive robust error. In parallel, a class-balanced contrastive robustness loss enforces adversarial invariance while explicitly widening boundary separation across classes. Experiments on CIFAR-10/100, Tiny-ImageNet, and multiple ImageNet-1K subsets under six attacks show that C$^2$R achieves the best robust accuracy, outperforming prior robust DD methods by $2.8$\% on average. Under PGD, C$^2$R also reduces the average drop rate (DR) below $66.8$\% across datasets, indicating a stronger accuracy–robustness balance.
Deep Learning · Large Language Models
Knowledge augmentation has significantly enhanced the performance of Large Language Models (LLMs) in knowledge-intensive tasks. However, existing methods typically operate on the simplistic premise that model performance equates with internal knowledge, overlooking the knowledge-confidence gaps that lead to overconfident errors or uncertain truths. To bridge this gap, we propose a novel meta-cognitive framework for reliable knowledge augmentation via differentiated intervention and alignment. Our approach leverages internal cognitive signals to partition the knowledge space into mastered, confused, and missing regions, guiding targeted knowledge expansion. Furthermore, we introduce a cognitive consistency mechanism to synchronize subjective certainty with objective accuracy, ensuring calibrated knowledge boundaries. Extensive experiments demonstrate the our framework consistently outperforms strong baselines, validating its rationality in not only enhancing knowledge capabilities but also fostering cognitive behaviors that better distinguish knowns from unknowns.
LoRA and its variants have attracted considerable attention because of their abilities to tune a negligible number of parameters while achieving comparable downstream performance. This success is largely attributed to the intrinsic low-rank structure of model parameter spaces, which allows LoRA to train two projection matrices to project weights into a low-dimensional subspace and then map them back. However, it does not consider how to explore this low-rank subspace sufficiently and may lose the expression ability accordingly. Moreover, when using LoRA to tune convolution layers, a flatten operation is required to convert tensors into matrices. We argue that this will degrade the model's performance. In this paper, we address this issue from a general parameter sub-space perspective: we present a unified **L**anguage **A**nd **V**ision **A**daption finetuning framework (called **LAVA**). Specifically, we verify the existence of low-rank subspaces in convolution layers empirically and propose to parameterize the increment of both convolution kernels and matrices as sum of learnable rank-1 components. To improve training stability, we analyze the optimization dynamics of LoRA and incorporate orthogonal regularization into our parameterization, for which we give theoretical proof that it will help reduce the variance of the gradient. We conduct various experiments on different downstreaming tasks to validate LAVA's superiority. For example, when tuning LLaMA2-7b for commonsense tasks, the performance of our LAVA is **+1.9\%** higher than that of LoRA. For metric depth estimation tasks, LAVA only tunes $\sim$1.5\% of Depth-Anything (335.3M), and achieves **+3.5\%** $\delta_1$ accuracy against that of LoRA and **+5.6\%** $\delta_1$ accuracy against that of SVDiff.
Synthetic data are increasingly used to train image classifiers, yet distributional mismatch with real data limits their effectiveness when used indiscriminately. A common strategy is to learn data weights via bi-level optimization, which we refer to as Meta-learning for Training-data Selection (MTS). Interestingly, in practice, MTS often performs below expectation. We identify two obstacles in properly training MTS: a poor gradient signal-to-noise ratio (GSNR), which causes optimization difficulties, and lack of informative features that correlates with data quality. We present a thorough mathematical analysis of MTS, which reveals the dynamics of normalized data weights and the relation between disparate data quality and poor GSNR. The analysis suggests a a simple yet effective solution: increasing the batch size. Further, we propose a set of informative features that capture the positions of training data in their distributions and training dynamics. Experiments across four benchmarks show consistent improvements, achieving average gains of 5.49\% over training without selection and 2.89\% over the strongest baseline.
Deep Learning · Graph Neural Networks
Modeling graphs demands a careful balance between long-range propagation of information across nodes and the controlled dissipation of noisy or redundant signals to ensure stable learning and generalization. This challenge is exacerbated in dynamic graphs, where structural and temporal information interact, leading to uncontrolled information accumulation and amplifying noise, thereby affecting generalization. We introduce LAMP, a dynamic graph model for snapshot-based dynamic graphs that incorporates adaptive, learned dissipation within a principled dynamical systems framework. Our architecture combines impulsive neural ODEs with antisymmetric parameterization to model conservative information flow, alongside data-driven dissipative dynamics that regulate information retention over space and time. This formulation yields stable yet expressive representations and enables effective long-range dependency modeling while avoiding pathological information buildup. We provide a theoretical analysis establishing stability guarantees and characterizing the representational power. Extensive experiments on synthetic and real-world benchmarks demonstrate state-of-the-art performance, particularly on tasks requiring extended-range dependency modeling.
The increasing impact of climate change and extreme weather events has spurred growing interest in deep learning for weather research. However, existing studies often rely on weather data in pixel space, which presents several challenges such as smooth outputs in model outputs, limited applicability to a single pressure-variable subset (PVS), and high data storage and computational costs. To address these challenges, we propose a novel Weather Latent Autoencoder (WLA) that transforms weather data from pixel space to latent space, enabling efficient data representation. By decoupling weather reconstruction from downstream tasks, WLA improves the accuracy and sharpness of weather task model results. The incorporated Pressure-Variable Unified Module transforms multiple PVS into a unified representation, enhancing the adaptability of the model in multiple weather scenarios. Furthermore, weather tasks can be performed in a low-storage latent space of WLA rather than a high-storage pixel space, thus significantly reducing data storage and computational costs. Through extensive experimentation, we demonstrate its superior compression and reconstruction performance, enabling the creation of the ERA5-Latent dataset with unified representations of multiple PVS from ERA5 data. The compressed full PVS in the ERA5-Latent dataset reduces the original 244.34 TB of data to 0.43 TB. The downstream task further demonstrates that task models can apply to multiple PVS with low data costs in latent space and achieve superior performance compared to models in pixel space.
Applications · Computer Vision
Unified hyperspectral image (HSI) restoration aims to recover diverse degradations within a single model. However, current methods often rely on impractical explicit priors or opaque black-box representations that overfit to training distributions, hampering generalization to unseen scenarios. To bridge this gap, we propose Degradation-Aware Metric Prompting (DAMP), a novel framework that characterizes multi-dimensional degradations through interpretable spatial-spectral metrics. These metrics serve as Degradation Prompts (DP), enabling the model to capture shared characteristics across tasks and adapt to unknown corruptions. Central to our framework is the Degradation-Adaptive Mixture-of-Experts (DAMoE), where Spatial-Spectral Adaptive Modules (SSAMs) serve as experts that utilize learnable fusion coefficients to specialize in distinct degradation degrees. By using DP as a gating router, DAMoE dynamically activates specialized experts tailored to the specific degradation profile. Extensive experiments on natural and remote sensing HSI datasets demonstrate that DAMP achieves state-of-the-art performance and exhibits exceptional zero-shot generalization on unseen restoration tasks. The source code will be released.
Deep Learning · Large Language Models
Quantization followed by parameter-efficient fine-tuning has emerged as a promising paradigm for downstream adaptation under tight GPU memory constraints. However, this sequential pipeline fails to leverage the intricate interaction between quantization bit-width and LoRA rank. Specifically, a carefully optimized quantization allocation with low quantization error does not always translate to strong fine-tuning performance, and different bit-width and rank configurations can lead to significantly varying outcomes under the same memory budget. To address this limitation, we propose AutoQRA, a joint optimization framework that simultaneously optimizes the bit-width and LoRA rank configuration for each layer during the mixed quantized fine-tuning process. To tackle the challenges posed by the large discrete search space and the high evaluation cost associated with frequent fine-tuning iterations, AutoQRA decomposes the optimization process into two stages. First, it first conducts a global multi-fidelity evolutionary search, where the initial population is warm-started by injecting layer-wise importance priors. This stage employs specific operators and a performance model to efficiently screen candidate configurations. Second, trust-region Bayesian optimization is applied to locally refine promising regions of the search space and identify optimal configurations under the given memory budget. This approach enables active compensation for quantization noise in specific layers during training. Experiments show that AutoQRA achieves performance close to full-precision fine-tuning with a memory footprint comparable to uniform 4-bit methods.
Optimization · Zero-order and Black-box Optimization
Fine-tuning Large Language Models (LLMs) with Low-Rank Adaptation (LoRA) offers a resource-efficient way to personalize or specialize. However, LoRA is highly sensitive to hyperparameter choices, and performing an exhaustive hyperparameter search remains computationally intensive. To address these challenges, we propose a framework that integrates the domain knowledge of pre-trained LLMs into the Bayesian Optimization (BO) process to efficiently search for LoRA hyperparameters. To leverage pre-trained LLMs' knowledge, our approach repurposes them as a discrete-to-continuous mapping module to link hyperparameters and their domain knowledge to a continuous vector space, where BO is conducted. We design and control the mapping via language prompting, providing a domain-aware textual prompt that describes the relationships among hyperparameters and their respective roles. This allows us to explicitly inject domain knowledge about LoRA into the LLM in natural language. We also introduce an additional learnable token to capture residual information that is difficult to describe linguistically in the prompt. This aids BO to sample more high-performing hyperparameters. In addition, by leveraging the strong correlation observed between the performance obtained from full and subset training datasets in LoRA training regimes, we introduce proxy training and evaluation using a data subset. This significantly improves the efficiency of our method. We demonstrate that our hyperparameter, discovered with only about 30 iterations, achieves more than 20% performance improvement over standard hyperparameters found from about 45,000 combinations. Code will be released.
Planning with a generative model aims to estimate state values using minimal oracle calls. For entropy-regularized MDPs, SmoothCruiser exploits the smoothness of the $\operatorname{LogSumExp}$ Bellman operator to achieve $\widetilde{\mathcal{O}}(\varepsilon^{-4})$ sample complexity, but its first-order Taylor approximation limits the rate. We develop a curvature--complexity theory showing that if a Bellman aggregator has Taylor remainder of order $\beta \ge 2$, the optimal oracle complexity exponent is $2 + 2/(\beta-1)$---recovering $\widetilde{\mathcal{O}}(\varepsilon^{-4})$ for $\beta=2$ and predicting $\widetilde{\mathcal{O}}(\varepsilon^{-3})$ for $\beta=3$. To achieve $\beta=3$, we introduce an entropic optimal-transport regularizer over action distributions. The resulting OT-smoothed Bellman operator admits a closed-form expression, explicit gradient policy, and Lipschitz Hessian. We derive an unbiased estimator of the quadratic Taylor term via cross-product debiasing, enabling a second-order SmoothCruiser with $\widetilde{\mathcal{O}}(\varepsilon^{-3})$ complexity. We further propose gap-dependent variants and provide a complexity analysis and show advantage of our method.
Applications · Robotics
Learning real-world dynamics from visual observations is crucial for various domains. A common strategy is to calibrate simulators by estimating physical parameters, yet accuracy is ultimately bounded by the underlying physical models, which often assume materials are homogeneous and isotropic. Even if reasonable, real-world objects typically exhibit mild anisotropy and heterogeneity. After the near-isotropic backbone is well calibrated, these residual effects become the key bottleneck for further closing the real-to-sim gap. Although neural networks can fit dynamics end-to-end, such black-box modeling discards strong physical priors, leading to poor data efficiency and overfitting. Therefore, we propose MoSA, a motion-constrained stress adaptation framework that targets these residual effects to further improve real-to-sim dynamics learning. MoSA uses an isotropic model as a physics prior and learns residual stress operators to capture mild anisotropy and heterogeneity. It progressively adapts stresses via microplane-constrained redistribution in a physics-informed cascaded network. We further impose motion constraints by supervising temporal and spatial derivatives of the deformation field. Experimentally, our learned dynamics achieves superior accuracy, generalization, and robustness, while learning physically meaningful residual anisotropy. Finally, we validate MoSA in a robot manipulation setting, showing that better real-to-sim dynamics modeling translates into more reliable sim-to-real transfer.
Policies learned via continuous actor-critic methods often exhibit erratic, high-frequency oscillations, making them unsuitable for physical deployment. Current approaches attempt to enforce smoothness by directly regularizing the policy's output. We argue that this approach treats the symptom rather than the cause. In this work, we theoretically establish that policy non-smoothness is fundamentally governed by the differential geometry of the critic. By applying implicit differentiation to the actor-critic objective, we prove that the sensitivity of the optimal policy is bounded by the ratio of the Q-function's mixed-partial derivative (noise sensitivity) to its action-space curvature (signal distinctness). To empirically validate this theoretical insight, we introduce PAVE (Policy-Aware Value-field Equalization), a critic-centric regularization framework that treats the critic as a scalar field and stabilizes its induced action-gradient field. PAVE rectifies the learning signal by minimizing the Q-gradient volatility while preserving local curvature. Experimental results demonstrate that PAVE achieves smoothness and robustness comparable to policy-side smoothness regularization methods, while maintaining competitive task performance, without modifying the actor.
Applications · Robotics
Evaluating generalist robot manipulation policies is costly and difficult to scale in the real world. While emerging world models (e.g., WorldEval, Ctrl-World) offer a promising alternative, the reliability of such evaluation remains a critical bottleneck. Specifically, their visual predictions can undermine policy assessment by "self-correcting" failures into false positives or yielding artifacts under out-of-distribution controls. Even with failure-enriched data, current architectures struggle to capture action-causal dynamics, as they typically treat actions as passive conditions rather than causal drivers. To address this, we propose dWorldEval, an action-centric discrete-diffusion world model that maps visual observations, language instructions, and action chunks into a shared unified token space and denoises them with a single self-attention backbone where actions function as first-class tokens. To realize reliable policy-world interaction, dWorldEval introduces a sparse keyframe memory that anchors global scene state while preserving fine-grained multi-view interaction cues, and leverages Progress-as-text to jointly generate future observations and success indicators. Extensive experiments on LIBERO, RoboTwin, and real-robot tasks demonstrate that dWorldEval significantly outperforms video diffusion baselines in action controllability, stabilizes long-horizon multi-view rollouts, enabling accurate policy ranking via automatic success estimation.