Daily Papers

Interactive medical questioning is essential in real-world clinical consultations, where physicians must actively gather information from patients. While medical Large Language Models (LLMs) have shown impressive capabilities in static medical question answering, they predominantly operate under a reactive paradigm: generating answers directly without seeking additional information, which risks incorrect diagnoses in such interactive settings. To address this limitation, we propose ProMed, a reinforcement learning (RL) framework that transitions medical LLMs toward a proactive paradigm, equipping them with the ability to ask clinically valuable questions before decision-making. At the core of ProMed is the Shapley Information Gain (SIG) reward, which quantifies the clinical utility of each question by combining the amount of newly acquired information with its contextual importance, estimated via Shapley values. We integrate SIG into a two-stage training pipeline: (1) SIG-Guided Model Initialization uses Monte Carlo Tree Search (MCTS) to construct high-reward interaction trajectories to supervise the model, and (2) SIG-Augmented Policy Optimization, which integrates SIG and enhances RL with a novel SIG-guided Reward Distribution Mechanism that assigns higher rewards to informative questions for targeted optimization. Extensive experiments on two newly curated partial-information medical benchmarks demonstrate that ProMed significantly outperforms state-of-the-art methods by an average of 6.29% and delivers a 54.45% gain over the reactive paradigm, while also generalizing robustly to out-of-domain cases.

Analytical solutions to differential equations offer exact, interpretable insight but are rarely available because discovering them requires expert intuition or exhaustive search of combinatorial spaces. We introduce SIGS, a neuro-symbolic framework for equation-driven closed-form solution discovery. SIGS uses a context-free grammar to generate mathematically valid and physically meaningful building blocks, with a user-specified Ansatz prescribing how these blocks combine, embeds them into a topology-regularised continuous latent manifold, and searches this manifold in two stages: structure selection followed by coefficient refinement using gradient descent, scoring candidates only against the PDE residual and prescribed boundary and initial conditions. This design unifies symbolic reasoning with numerical optimization; the grammar constrains candidate solution blocks to be proper by construction, while the latent search makes exploration tractable and data-free. SIGS is the first neuro-symbolic method to (i) recover analytical solutions for coupled nonlinear PDE systems, (ii) discover equivalent symbolic forms when the grammar lacks the natural primitives, and (iii) produce accurate symbolic approximations for PDEs lacking known closed-form solutions. Overall, SIGS improves over existing symbolic methods by orders of magnitude in both accuracy and runtime across standard PDE benchmarks.

Despite rapid advancements in the research and deployment of large language models (LLMs), the statistical distribution of model parameters, as well as their influence on initialization, training dynamics, and downstream efficiency, has received surprisingly little attention. A recent work introduced BackSlash, a training-time compression algorithm. It first demonstrated that pre-trained LLM parameters follow generalized Gaussian distributions (GGDs) better. By optimizing GG priors during training, BackSlash can reduce parameters by up to 90\% with minimal performance loss. Building on this foundational insight, we propose a unified, end-to-end framework for LLM optimization based on the GG model. Our contributions are threefold: (1) GG-based initialization scheme that aligns with the statistical structure of trained models, resulting in faster convergence and improved accuracy; (2) DeepShape, a post-training regularization method that reshapes weight distributions to match a GG profile, improving compressibility with minimized degradation in performance; and (3) RF8, a compact and hardware-efficient 8-bit floating-point format designed for GG-distributed-initialized BackSlash training, enabling low-cost inference without compromising accuracy. Experiments across diverse model architectures show that our framework consistently yields smaller and faster models that match or outperform standard training baselines. By grounding LLM development in principled statistical modeling, this work forges a new path toward efficient, scalable, and hardware-aware AI systems. The code is available on our project page: https://huggingface.co/spaces/shifeng3711/gg_prior.

Implicit Neural Representations (INRs) are a versatile and powerful tool for encoding various forms of data, including images, videos, sound, and 3D shapes. A critical factor in the success of INRs is the initialization of the network, which can significantly impact the convergence and accuracy of the learned model. Unfortunately, commonly used neural network initializations are not widely applicable for many activation functions, especially those used by INRs. In this paper, we improve upon previous initialization methods by deriving an initialization that has stable variance across layers, and applies to any activation function. We show that this generalizes many previous initialization methods, and has even better stability for well studied activations. We also show that our initialization leads to improved results with INR activation functions in multiple signal modalities. Our approach is particularly effective for Gaussian INRs, where we demonstrate that the theory of our initialization matches with task performance in multiple experiments, allowing us to achieve improvements in image, audio, and 3D surface reconstruction.

Diffusion models generate synthetic images through an iterative refinement process. However, the misalignment between the simulation-free objective and the iterative process often causes accumulated gradient error along the sampling trajectory, which leads to unsatisfactory results and a failure to generalize. Guidance techniques like Classifier Free Guidance (CFG) and AutoGuidance (AG) alleviate this by extrapolating between the main and inferior signal for stronger generalization. Despite empirical success, the effective operational regimes of prevalent guidance methods are still under-explored, leading to ambiguity when selecting the appropriate guidance method given a precondition. In this work, we first conduct synthetic comparisons to isolate and demonstrate the effective regime of guidance methods represented by CFG and AG from the perspective of weak-to-strong principle. Based on this, we propose a hybrid instantiation called SGG under the principle, taking the benefits of both. Furthermore, we demonstrate that the W2S principle along with SGG can be migrated into the training objective, improving the generalization ability of unguided diffusion models. We validate our approach with comprehensive experiments. At inference time, evaluations on SD3 and SD3.5 confirm that SGG outperforms existing training-free guidance variants. Training-time experiments on transformer architectures demonstrate the effective migration and performance gains in both conditional and unconditional settings. Code is available at https://github.com/851695e35/SGG.

Modern training on a new task often starts from a previously trained model rather than from scratch, raising the question of how this initialization affects the subsequent training trajectory. Classical implicit-bias results characterize the direction selected by prolonged training, but this direction alone does not provide information regarding the intermediate behavior. We address this question through a geometric approximation of full-batch logistic gradient descent (GD) trajectories on strictly linearly separable data, with large initialization of scale R motivated by prior training. From any limiting normalized initial position, we use minimum-norm projection rules to construct a unique continuous ideal path consisting of finitely many linear segments. The path has two stages: negative-margin correction followed by minimum-margin growth. We prove that, after an explicit two-stage time reparameterization, the fixed-step GD trajectory divided by R converges uniformly to this path on every fixed parameter interval as Rtoinfty. Further, our quantitative error bounds account for initialization perturbations and the transition between stages. This approximation provides asymptotic formulas for peak evaluation loss and cumulative training loss. In particular, peak evaluation loss can grow linearly in R even when both endpoint losses tend to zero. The cumulative losses in the correction and margin-growth stages, normalized by R^2 and R, respectively, converge to explicit limits. Experiments on controlled geometries and fixed image features complement our theoretical results.

Learning to generate neural network parameters conditioned on task descriptions and architecture specifications is pivotal for advancing model adaptability and transfer learning. Existing methods especially those based on diffusion models suffer from limited scalability to large architectures, rigidity in handling varying network depths, and disjointed parameter generation that undermines inter-layer coherence. In this work, we propose IGPG (Instruction Guided Parameter Generation), an autoregressive framework that unifies parameter synthesis across diverse tasks and architectures. IGPG leverages a VQ-VAE and an autoregressive model to generate neural network parameters, conditioned on task instructions, dataset, and architecture details. By autoregressively generating neural network weights' tokens, IGPG ensures inter-layer coherence and enables efficient adaptation across models and datasets. Operating at the token level, IGPG effectively captures complex parameter distributions aggregated from a broad spectrum of pretrained models. Extensive experiments on multiple vision datasets demonstrate that IGPG consolidates diverse pretrained models into a single, flexible generative framework. The synthesized parameters achieve competitive or superior performance relative to state-of-the-art methods, especially in terms of scalability and efficiency when applied to large architectures. These results underscore ICPG potential as a powerful tool for pretrained weight retrieval, model selection, and rapid task-specific fine-tuning.

Algorithmic efficiency techniques such as distillation (hinton2015distillation) are useful in improving model quality without increasing serving costs, provided a larger teacher model is available for a smaller student model to learn from during training. Standard distillation methods are limited to only forcing the student to match the teacher's outputs. Given the costs associated with training a large model, we believe we should be extracting more useful information from a teacher model than by just making the student match the teacher's outputs. In this paper, we introduce \guide (Guided Initialization and Distillation of Embeddings). \guide can be considered a distillation technique that forces the student to match the teacher in the parameter space. Using \guide we show 25-26\% reduction in the teacher-student quality gap when using large student models (400M - 1B parameters) trained on approx 20B tokens. We also present a thorough analysis demonstrating that \guide can be combined with knowledge distillation with near additive improvements. Furthermore, we show that applying \guide alone leads to substantially better model quality than applying knowledge distillation by itself. Most importantly, \guide introduces no training or inference overhead and hence any model quality gains from our method are virtually free.

Additive quantization enables extreme LLM compression with O(1) lookup-table dequantization, making it attractive for edge deployment. Yet at 2-bit precision, it often fails catastrophically, even with extensive search and finetuning. We show that the dominant bottleneck is codebook initialisation. Greedy sequential initialisation frequently places the model in poor optimisation regions that subsequent beam search and PV-tuning struggle to overcome. We analyse this behaviour through the representational ratio ho = N/KM, which characterises the relationship between weight groups and codebook capacity, and propose OA-EM, an output-aware EM initialisation method using Hessian-weighted Mahalanobis distance. Across compression rates, search budgets, and three architectures (Llama 3.2 3B, Llama 3.1 8B, Qwen 2.5 3B), OA-EM consistently produces better solutions after PV-tuning and dominates the quality-compute frontier. The severity of the bottleneck scales with ho: moderate at 3 bpp but extreme at 2 bpp, where poor initialisation can degrade perplexity by orders of magnitude. More broadly, our results highlight the importance of optimisation geometry in compressed model spaces, where initialisation can dominate subsequent search and fine-tuning.

Flow map models such as Consistency Models (CM) and Mean Flow (MF) enable few-step generation by learning the long jump of the ODE solution of diffusion models, yet training remains unstable, sensitive to hyperparameters, and costly. Initializing from a pre-trained diffusion model helps, but still requires converting infinitesimal steps into a long-jump map, leaving instability unresolved. We introduce mid-training, the first concept and practical method that inserts a lightweight intermediate stage between the (diffusion) pre-training and the final flow map training (i.e., post-training) for vision generation. Concretely, Consistency Mid-Training (CMT) is a compact and principled stage that trains a model to map points along a solver trajectory from a pre-trained model, starting from a prior sample, directly to the solver-generated clean sample. It yields a trajectory-consistent and stable initialization. This initializer outperforms random and diffusion-based baselines and enables fast, robust convergence without heuristics. Initializing post-training with CMT weights further simplifies flow map learning. Empirically, CMT achieves state of the art two step FIDs: 1.97 on CIFAR-10, 1.32 on ImageNet 64x64, and 1.84 on ImageNet 512x512, while using up to 98% less training data and GPU time, compared to CMs. On ImageNet 256x256, CMT reaches 1-step FID 3.34 while cutting total training time by about 50% compared to MF from scratch (FID 3.43). This establishes CMT as a principled, efficient, and general framework for training flow map models.

This paper concludes a series of studies on the polyharmonic cascade, a deep machine learning architecture theoretically derived from indifference principles and the theory of random functions. A universal initialization procedure is proposed, based on symmetric constellations in the form of hyperoctahedra with a central point. This initialization not only ensures stable training of cascades with tens and hundreds of layers (up to 500 layers without skip connections), but also radically simplifies the computations. Scalability and robustness are demonstrated on MNIST (98.3% without convolutions or augmentations), HIGGS (AUC approximately 0.885 on 11M examples), and Epsilon (AUC approximately 0.963 with 2000 features). All linear algebra is reduced to 2D operations and is efficiently executed on GPUs. A public repository and an archived snapshot are provided for full reproducibility.

There often is a dilemma between ease of optimization and robust out-of-distribution (OoD) generalization. For instance, many OoD methods rely on penalty terms whose optimization is challenging. They are either too strong to optimize reliably or too weak to achieve their goals. We propose to initialize the networks with a rich representation containing a palette of potentially useful features, ready to be used by even simple models. On the one hand, a rich representation provides a good initialization for the optimizer. On the other hand, it also provides an inductive bias that helps OoD generalization. Such a representation is constructed with the Rich Feature Construction (RFC) algorithm, also called the Bonsai algorithm, which consists of a succession of training episodes. During discovery episodes, we craft a multi-objective optimization criterion and its associated datasets in a manner that prevents the network from using the features constructed in the previous iterations. During synthesis episodes, we use knowledge distillation to force the network to simultaneously represent all the previously discovered features. Initializing the networks with Bonsai representations consistently helps six OoD methods achieve top performance on ColoredMNIST benchmark. The same technique substantially outperforms comparable results on the Wilds Camelyon17 task, eliminates the high result variance that plagues other methods, and makes hyperparameter tuning and model selection more reliable.

Global placement is a critical step with high computational complexity in VLSI physical design. Modern analytical placers formulate the placement problem as a nonlinear optimization, where initialization strongly affects both convergence behavior and final placement quality. However, existing initialization methods exhibit a trade-off: area-aware initializers account for cell areas but are computationally expensive and can dominate total runtime, while fast point-based initializers ignore cell area, leading to a modeling gap that impairs convergence and solution quality. We propose a lightweight co-optimization framework that bridges this initialization gap through two strategies. First, an area-hint refinement initializer incorporates heuristic cell area information into a signed graph signal by augmenting the netlist graph with virtual nodes and negative-weight edges, yielding an area-aware and spectrally smooth placement initialization. Second, a macro-schedule placement procedure progressively restores area constraints, enabling a smooth transition from the refined initializer to the full area-aware objective and producing high-quality placement results. We evaluate the framework on macro-heavy ISPD2005 academic benchmarks and two real-world industrial designs across two technology nodes (12 cases in total). Experimental results show that our method consistently improves half-perimeter wirelength (HPWL) over point-based initializers in 11 out of 12 cases, achieving up to 2.2% HPWL reduction, while running approximately 100 times faster than the state-of-the-art area-aware initializer.

Deep neural networks have achieved remarkable accomplishments in practice. The success of these networks hinges on effective initialization methods, which are vital for ensuring stable and rapid convergence during training. Recently, initialization methods that maintain identity transition within layers have shown good efficiency in network training. These techniques (e.g., Fixup) set specific weights to zero to achieve identity control. However, settings of remaining weight (e.g., Fixup uses random values to initialize non-zero weights) will affect the inductive bias that is achieved only by a zero weight, which may be harmful to training. Addressing this concern, we introduce fully identical initialization (IDInit), a novel method that preserves identity in both the main and sub-stem layers of residual networks. IDInit employs a padded identity-like matrix to overcome rank constraints in non-square weight matrices. Furthermore, we show the convergence problem of an identity matrix can be solved by stochastic gradient descent. Additionally, we enhance the universality of IDInit by processing higher-order weights and addressing dead neuron problems. IDInit is a straightforward yet effective initialization method, with improved convergence, stability, and performance across various settings, including large-scale datasets and deep models.

Classifier-free guidance (CFG) is a widely used technique for controllable generation in diffusion and flow-based models. Despite its empirical success, CFG relies on a heuristic linear extrapolation that is often sensitive to the guidance scale. In this work, we provide a principled interpretation of CFG through the lens of optimization. We demonstrate that the velocity field in flow matching corresponds to the gradient of a sequence of smoothed distance functions, which guides latent variables toward the scaled target image set. This perspective reveals that the standard CFG formulation is an approximation of this gradient, where the prediction gap, the discrepancy between conditional and unconditional outputs, governs guidance sensitivity. Leveraging this insight, we reformulate the CFG sampling as a homotopy optimization with a manifold constraint. This formulation necessitates a manifold projection step, which we implement via an incremental gradient descent scheme during sampling. To improve computational efficiency and stability, we further enhance this iterative process with Anderson Acceleration without requiring additional model evaluations. Our proposed methods are training-free and consistently refine generation fidelity, prompt alignment, and robustness to the guidance scale. We validate their effectiveness across diverse benchmarks, demonstrating significant improvements on large-scale models such as DiT-XL-2-256, Flux, and Stable Diffusion 3.5.

Proper weight initialization prior to training has historically been one of the key factors that helped kick off the deep learning revolution. Initialization is even more crucial in "reservoir computing", where the weights of a readout layer are learned linearly while the reservoir weights are fixed and largely determine the richness, stability and memory of the resulting dynamics. In the infinite-width limit it has been shown that meaningful initializations are those sitting at an effective critical point of the randomly initialized model. The phase transition is controlled by the weight variance g^2 and separates an ordered phase from a chaotic one where information progressively degrades. Here we derive a simple criterion to estimate the critical g_c for a broad class of recurrent architectures and we show that it closely tracks the gain at which a gated-RNN reservoir achieves peak performance on a chaotic forecasting task. Finally, we argue that our criterion can serve as a design principle for future initialization schemes.

Recent studies have demonstrated the effectiveness of LLM test-time scaling. However, existing approaches to incentivize LLMs' deep thinking abilities generally require large-scale data or significant training efforts. Meanwhile, it remains unclear how to improve the thinking abilities of less powerful base models. In this work, we introduce S^2R, an efficient framework that enhances LLM reasoning by teaching models to self-verify and self-correct during inference. Specifically, we first initialize LLMs with iterative self-verification and self-correction behaviors through supervised fine-tuning on carefully curated data. The self-verification and self-correction skills are then further strengthened by both outcome-level and process-level reinforcement learning, with minimized resource requirements, enabling the model to adaptively refine its reasoning process during inference. Our results demonstrate that, with only 3.1k self-verifying and self-correcting behavior initialization samples, Qwen2.5-math-7B achieves an accuracy improvement from 51.0\% to 81.6\%, outperforming models trained on an equivalent amount of long-CoT distilled data. Extensive experiments and analysis based on three base models across both in-domain and out-of-domain benchmarks validate the effectiveness of S^2R. Our code and data are available at https://github.com/NineAbyss/S2R.

Language models of code (LMs) work well when the surrounding code in the vicinity of generation provides sufficient context. This is not true when it becomes necessary to use types or functionality defined in another module or library, especially those not seen during training. LMs suffer from limited awareness of such global context and end up hallucinating, e.g., using types defined in other files incorrectly. Recent work tries to overcome this issue by retrieving global information to augment the local context. However, this bloats the prompt or requires architecture modifications and additional training. Integrated development environments (IDEs) assist developers by bringing the global context at their fingertips using static analysis. We extend this assistance, enjoyed by developers, to the LMs. We propose a notion of monitors that use static analysis in the background to guide the decoding. Unlike a priori retrieval, static analysis is invoked iteratively during the entire decoding process, providing the most relevant suggestions on demand. We demonstrate the usefulness of our proposal by monitoring for type-consistent use of identifiers whenever an LM generates code for object dereference. To evaluate our approach, we curate PragmaticCode, a dataset of open-source projects with their development environments. On models of varying parameter scale, we show that monitor-guided decoding consistently improves the ability of an LM to not only generate identifiers that match the ground truth but also improves compilation rates and agreement with ground truth. We find that LMs with fewer parameters, when guided with our monitor, can outperform larger LMs. With monitor-guided decoding, SantaCoder-1.1B achieves better compilation rate and next-identifier match than the much larger text-davinci-003 model. The datasets and code will be released at https://aka.ms/monitors4codegen .

In the realm of Large Language Models, the balance between instruction data quality and quantity has become a focal point. Recognizing this, we introduce a self-guided methodology for LLMs to autonomously discern and select cherry samples from vast open-source datasets, effectively minimizing manual curation and potential cost for instruction tuning an LLM. Our key innovation, the Instruction-Following Difficulty (IFD) metric, emerges as a pivotal tool to identify discrepancies between a model's expected responses and its autonomous generation prowess. Through the adept application of IFD, cherry samples are pinpointed, leading to a marked uptick in model training efficiency. Empirical validations on renowned datasets like Alpaca and WizardLM underpin our findings; with a mere 10% of conventional data input, our strategy showcases improved results. This synthesis of self-guided cherry-picking and the IFD metric signifies a transformative leap in the optimization of LLMs, promising both efficiency and resource-conscious advancements. Codes, data, and models are available: https://github.com/MingLiiii/Cherry_LLM

Post-training quantization (PTQ) is widely used to reduce the memory and computational cost of large language models. Existing PTQ methods typically obtain an initial quantized model through heuristic rules or greedy optimization, and once quantization is completed the resulting integer assignments are usually treated as final. This observation motivates a complementary optimization stage within PTQ that keeps quantized weights improvable after an executable quantized model has been produced, while preserving the quantized format. We introduce ReQuant, a backpropagation-free fixed-grid refinement procedure for this stage. Agnostic to the PTQ initializer, ReQuant takes an existing quantized model as a feasible starting point and iteratively revisits its discrete weight assignments on the fixed quantization grid. Accepted updates strictly reduce the mean squared reconstruction error and remain on the original grid. In this way, ReQuant turns the initially fixed PTQ output into an iteratively optimizable discrete solution and serves as a plug-and-play post-processing stage for existing PTQ pipelines. Experiments across diverse model families, bit-widths, and downstream tasks show that ReQuant consistently improves quantized models from heterogeneous PTQ initializers, with especially large gains on simple initializers and lower bit-widths. Notably, ReQuant can refine a simple round-to-nearest initialization across multiple sweeps until it approaches or surpasses GPTAQ under the same quantization format. These results establish ReQuant as a practical complementary stage for further improving existing PTQ pipelines.

Initialization of parameters in deep neural networks has been shown to have a big impact on the performance of the networks (Mishkin & Matas, 2015). The initialization scheme devised by He et al, allowed convolution activations to carry a constrained mean which allowed deep networks to be trained effectively (He et al., 2015a). Orthogonal initializations and more generally orthogonal matrices in standard recurrent networks have been proved to eradicate the vanishing and exploding gradient problem (Pascanu et al., 2012). Majority of current initialization schemes do not take fully into account the intrinsic structure of the convolution operator. Using the duality of the Fourier transform and the convolution operator, Convolution Aware Initialization builds orthogonal filters in the Fourier space, and using the inverse Fourier transform represents them in the standard space. With Convolution Aware Initialization we noticed not only higher accuracy and lower loss, but faster convergence. We achieve new state of the art on the CIFAR10 dataset, and achieve close to state of the art on various other tasks.

Graph Neural Networks (GNNs) have displayed considerable promise in graph representation learning across various applications. The core learning process requires the initialization of model weight matrices within each GNN layer, which is typically accomplished via classic initialization methods such as Xavier initialization. However, these methods were originally motivated to stabilize the variance of hidden embeddings and gradients across layers of Feedforward Neural Networks (FNNs) and Convolutional Neural Networks (CNNs) to avoid vanishing gradients and maintain steady information flow. In contrast, within the GNN context classical initializations disregard the impact of the input graph structure and message passing on variance. In this paper, we analyze the variance of forward and backward propagation across GNN layers and show that the variance instability of GNN initializations comes from the combined effect of the activation function, hidden dimension, graph structure and message passing. To better account for these influence factors, we propose a new initialization method for Variance Instability Reduction within GNN Optimization (Virgo), which naturally tends to equate forward and backward variances across successive layers. We conduct comprehensive experiments on 15 datasets to show that Virgo can lead to superior model performance and more stable variance at initialization on node classification, link prediction and graph classification tasks. Codes are in https://github.com/LspongebobJH/virgo_icml2023.

In this paper, we propose a highly parameter-efficient approach to scaling pre-trained language models (PLMs) to a deeper model depth. Unlike prior work that shares all parameters or uses extra blocks, we design a more capable parameter-sharing architecture based on matrix product operator (MPO). MPO decomposition can reorganize and factorize the information of a parameter matrix into two parts: the major part that contains the major information (central tensor) and the supplementary part that only has a small proportion of parameters (auxiliary tensors). Based on such a decomposition, our architecture shares the central tensor across all layers for reducing the model size and meanwhile keeps layer-specific auxiliary tensors (also using adapters) for enhancing the adaptation flexibility. To improve the model training, we further propose a stable initialization algorithm tailored for the MPO-based architecture. Extensive experiments have demonstrated the effectiveness of our proposed model in reducing the model size and achieving highly competitive performance.

Classifier-Free Guidance (CFG) is a widely adopted technique in diffusion/flow models to improve image fidelity and controllability. In this work, we first analytically study the effect of CFG on flow matching models trained on Gaussian mixtures where the ground-truth flow can be derived. We observe that in the early stages of training, when the flow estimation is inaccurate, CFG directs samples toward incorrect trajectories. Building on this observation, we propose CFG-Zero*, an improved CFG with two contributions: (a) optimized scale, where a scalar is optimized to correct for the inaccuracies in the estimated velocity, hence the * in the name; and (b) zero-init, which involves zeroing out the first few steps of the ODE solver. Experiments on both text-to-image (Lumina-Next, Stable Diffusion 3, and Flux) and text-to-video (Wan-2.1) generation demonstrate that CFG-Zero* consistently outperforms CFG, highlighting its effectiveness in guiding Flow Matching models. (Code is available at github.com/WeichenFan/CFG-Zero-star)

This paper considers meta-learning problems, where there is a distribution of tasks, and we would like to obtain an agent that performs well (i.e., learns quickly) when presented with a previously unseen task sampled from this distribution. We analyze a family of algorithms for learning a parameter initialization that can be fine-tuned quickly on a new task, using only first-order derivatives for the meta-learning updates. This family includes and generalizes first-order MAML, an approximation to MAML obtained by ignoring second-order derivatives. It also includes Reptile, a new algorithm that we introduce here, which works by repeatedly sampling a task, training on it, and moving the initialization towards the trained weights on that task. We expand on the results from Finn et al. showing that first-order meta-learning algorithms perform well on some well-established benchmarks for few-shot classification, and we provide theoretical analysis aimed at understanding why these algorithms work.

We study the gradients of a maxout network with respect to inputs and parameters and obtain bounds for the moments depending on the architecture and the parameter distribution. We observe that the distribution of the input-output Jacobian depends on the input, which complicates a stable parameter initialization. Based on the moments of the gradients, we formulate parameter initialization strategies that avoid vanishing and exploding gradients in wide networks. Experiments with deep fully-connected and convolutional networks show that this strategy improves SGD and Adam training of deep maxout networks. In addition, we obtain refined bounds on the expected number of linear regions, results on the expected curve length distortion, and results on the NTK.

Classifier-Free Guidance (CFG) has been a default technique in various visual generative models, yet it requires inference from both conditional and unconditional models during sampling. We propose to build visual models that are free from guided sampling. The resulting algorithm, Guidance-Free Training (GFT), matches the performance of CFG while reducing sampling to a single model, halving the computational cost. Unlike previous distillation-based approaches that rely on pretrained CFG networks, GFT enables training directly from scratch. GFT is simple to implement. It retains the same maximum likelihood objective as CFG and differs mainly in the parameterization of conditional models. Implementing GFT requires only minimal modifications to existing codebases, as most design choices and hyperparameters are directly inherited from CFG. Our extensive experiments across five distinct visual models demonstrate the effectiveness and versatility of GFT. Across domains of diffusion, autoregressive, and masked-prediction modeling, GFT consistently achieves comparable or even lower FID scores, with similar diversity-fidelity trade-offs compared with CFG baselines, all while being guidance-free. Code will be available at https://github.com/thu-ml/GFT.

Score-based Generative Models (SGMs) have achieved state-of-the-art synthesis results on diverse tasks. However, the current design space of the forward diffusion process is largely unexplored and often relies on physical intuition or simplifying assumptions. Leveraging results from the design of scalable Bayesian posterior samplers, we present a complete recipe for constructing forward processes in SGMs, all of which are guaranteed to converge to the target distribution of interest. We show that several existing SGMs can be cast as specific instantiations of this parameterization. Furthermore, building on this recipe, we construct a novel SGM: Phase Space Langevin Diffusion (PSLD), which performs score-based modeling in a space augmented with auxiliary variables akin to a physical phase space. We show that PSLD outperforms competing baselines in terms of sample quality and the speed-vs-quality tradeoff across different samplers on various standard image synthesis benchmarks. Moreover, we show that PSLD achieves sample quality comparable to state-of-the-art SGMs (FID: 2.10 on unconditional CIFAR-10 generation), providing an attractive alternative as an SGM backbone for further development. We will publish our code and model checkpoints for reproducibility at https://github.com/mandt-lab/PSLD.

Sign-based optimization algorithms, such as SignSGD, have garnered significant attention for their remarkable performance in distributed learning and training large foundation models. Despite their empirical superiority, SignSGD is known to diverge on non-smooth objectives, which are ubiquitous in modern machine learning due to ReLUs, max-pools, and mixture-of-experts. To overcome this fundamental limitation, we propose StoSignSGD, an algorithm that injects structural stochasticity into the sign operator while maintaining an unbiased update step. In the regime of (online) convex optimization, our theoretical analysis shows that StoSignSGD rigorously resolves the non-convergence issues of SignSGD, achieving a sharp convergence rate matching the lower bound. For the more challenging non-convex non-smooth optimization, we introduce generalized stationary measures that encompass prior definitions, proving that StoSignSGD improves upon the best-known complexity bounds by dimensional factors. Empirically, StoSignSGD exhibits robust stability and superior efficiency across diverse large language model (LLM) training regimes. Notably, in low-precision FP8 pretraining -- a setting where AdamW fails catastrophically -- StoSignSGD remains highly stable and yields a remarkable 1.44times to 2.14times speedup relative to established baselines. Furthermore, when fine-tuning 7B LLMs on mathematical reasoning tasks, StoSignSGD delivers substantial performance gains over both AdamW and SignSGD. Finally, to dissect the mechanisms driving its success, we develop a sign conversion framework capable of transforming any general optimizer into its unbiased, sign-based counterpart. Utilizing this framework, we deconstruct the core components of StoSignSGD and present a comprehensive ablation study to empirically validate our algorithmic design choices.

State space models (SSM) have recently been shown to be very effective as a deep learning layer as a promising alternative to sequence models such as RNNs, CNNs, or Transformers. The first version to show this potential was the S4 model, which is particularly effective on tasks involving long-range dependencies by using a prescribed state matrix called the HiPPO matrix. While this has an interpretable mathematical mechanism for modeling long dependencies, it introduces a custom representation and algorithm that can be difficult to implement. On the other hand, a recent variant of S4 called DSS showed that restricting the state matrix to be fully diagonal can still preserve the performance of the original model when using a specific initialization based on approximating S4's matrix. This work seeks to systematically understand how to parameterize and initialize such diagonal state space models. While it follows from classical results that almost all SSMs have an equivalent diagonal form, we show that the initialization is critical for performance. We explain why DSS works mathematically, by showing that the diagonal restriction of S4's matrix surprisingly recovers the same kernel in the limit of infinite state dimension. We also systematically describe various design choices in parameterizing and computing diagonal SSMs, and perform a controlled empirical study ablating the effects of these choices. Our final model S4D is a simple diagonal version of S4 whose kernel computation requires just 2 lines of code and performs comparably to S4 in almost all settings, with state-of-the-art results for image, audio, and medical time-series domains, and averaging 85\% on the Long Range Arena benchmark.

This paper discusses the weight parametrization of two standard 1-Lipschitz network architectures, the Almost-Orthogonal-Layers (AOL) and the SDP-based Lipschitz Layers (SLL). It examines their impact on initialization for deep 1-Lipschitz feedforward networks, and discusses underlying issues surrounding this initialization. These networks are mainly used in certifiably robust classification applications to combat adversarial attacks by limiting the impact of perturbations on the classification output. Exact and upper bounds for the parameterized weight variance were calculated assuming a standard Normal distribution initialization; additionally, an upper bound was computed assuming a Generalized Normal Distribution, generalizing the proof for Uniform, Laplace, and Normal distribution weight initializations. It is demonstrated that the weight variance holds no bearing on the output variance distribution and that only the dimension of the weight matrices matters. Additionally, this paper demonstrates that the weight initialization always causes deep 1-Lipschitz networks to decay to zero.

Recent advancements in Large Language Models (LLMs) have sparked widespread concerns about their safety. Recent work demonstrates that safety alignment of LLMs can be easily removed by fine-tuning with a few adversarially chosen instruction-following examples, i.e., fine-tuning attacks. We take a further step to understand fine-tuning attacks in multilingual LLMs. We first discover cross-lingual generalization of fine-tuning attacks: using a few adversarially chosen instruction-following examples in one language, multilingual LLMs can also be easily compromised (e.g., multilingual LLMs fail to refuse harmful prompts in other languages). Motivated by this finding, we hypothesize that safety-related information is language-agnostic and propose a new method termed Safety Information Localization (SIL) to identify the safety-related information in the model parameter space. Through SIL, we validate this hypothesis and find that only changing 20% of weight parameters in fine-tuning attacks can break safety alignment across all languages. Furthermore, we provide evidence to the alternative pathways hypothesis for why freezing safety-related parameters does not prevent fine-tuning attacks, and we demonstrate that our attack vector can still jailbreak LLMs adapted to new languages.

Classifier-free guidance (CFG) has become the standard method for enhancing the quality of conditional diffusion models. However, employing CFG requires either training an unconditional model alongside the main diffusion model or modifying the training procedure by periodically inserting a null condition. There is also no clear extension of CFG to unconditional models. In this paper, we revisit the core principles of CFG and introduce a new method, independent condition guidance (ICG), which provides the benefits of CFG without the need for any special training procedures. Our approach streamlines the training process of conditional diffusion models and can also be applied during inference on any pre-trained conditional model. Additionally, by leveraging the time-step information encoded in all diffusion networks, we propose an extension of CFG, called time-step guidance (TSG), which can be applied to any diffusion model, including unconditional ones. Our guidance techniques are easy to implement and have the same sampling cost as CFG. Through extensive experiments, we demonstrate that ICG matches the performance of standard CFG across various conditional diffusion models. Moreover, we show that TSG improves generation quality in a manner similar to CFG, without relying on any conditional information.

Given an unconditional diffusion model and a predictor for a target property of interest (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. Existing methods, though effective in various individual applications, often lack theoretical grounding and rigorous testing on extensive benchmarks. As a result, they could even fail on simple tasks, and applying them to a new problem becomes unavoidably difficult. This paper introduces a novel algorithmic framework encompassing existing methods as special cases, unifying the study of training-free guidance into the analysis of an algorithm-agnostic design space. Via theoretical and empirical investigation, we propose an efficient and effective hyper-parameter searching strategy that can be readily applied to any downstream task. We systematically benchmark across 7 diffusion models on 16 tasks with 40 targets, and improve performance by 8.5% on average. Our framework and benchmark offer a solid foundation for conditional generation in a training-free manner.

In this paper, we study the role of initialization in Low Rank Adaptation (LoRA) as originally introduced in Hu et al. (2021). Essentially, to start from the pretrained model as initialization for finetuning, one can either initialize B to zero and A to random (default initialization in PEFT package), or vice-versa. In both cases, the product BA is equal to zero at initialization, which makes finetuning starts from the pretrained model. These two initialization schemes are seemingly similar. They should in-principle yield the same performance and share the same optimal learning rate. We demonstrate that this is an incorrect intuition and that the first scheme (initializing B to zero and A to random) on average yields better performance compared to the other scheme. Our theoretical analysis shows that the reason behind this might be that the first initialization allows the use of larger learning rates (without causing output instability) compared to the second initialization, resulting in more efficient learning of the first scheme. We validate our results with extensive experiments on LLMs.

Training state-of-the-art neural networks requires a high cost in terms of compute and time. Model scale is recognized to be a critical factor to achieve and improve the state-of-the-art. Increasing the scale of a neural network normally requires restarting from scratch by randomly initializing all the parameters of the model, as this implies a change of architecture's parameters that does not allow for a straightforward transfer of knowledge from smaller size models. In this work, we propose six composable transformations to incrementally increase the size of transformer-based neural networks while preserving functionality, allowing to expand the capacity of the model as needed. We provide proof of exact function preservation under minimal initialization constraints for each transformation. The proposed methods may enable efficient training pipelines for larger and more powerful models by progressively expanding the architecture throughout training.

Intermediate Representations (IRs) play a critical role in compiler design and program analysis, yet their comprehension by Large Language Models (LLMs) remains underexplored. In this paper, we present an explorative empirical study evaluating the capabilities of six state-of-the-art LLMs: GPT-4, GPT-3, DeepSeek, Gemma 2, Llama 3, and Code Llama, in understanding IRs. Specifically, we assess model performance across four core tasks: control flow graph reconstruction, decompilation, code summarization, and execution reasoning. While LLMs exhibit competence in parsing IR syntax and identifying high-level structures, they consistently struggle with instruction-level reasoning, especially in control flow reasoning, loop handling, and dynamic execution. Common failure modes include misinterpreting branching instructions, omitting critical operations, and relying on heuristic reasoning rather than precise instruction-level logic. Our findings highlight the need for IR-specific enhancements in LLM design. We recommend fine-tuning on structured IR datasets and integrating control-flow-sensitive architectures to improve model effectiveness. All experimental data and source code are publicly available at

Flow-based generative models achieve state-of-the-art sample quality, but require the expensive solution of a differential equation at inference time. Flow map models, commonly known as consistency models, encompass many recent efforts to improve inference-time efficiency by learning the solution operator of this differential equation. Yet despite their promise, these models lack a unified description that clearly explains how to learn them efficiently in practice. Here, building on the methodology proposed in Boffi et. al. (2024), we present a systematic algorithmic framework for directly learning the flow map associated with a flow or diffusion model. By exploiting a relationship between the velocity field underlying a continuous-time flow and the instantaneous rate of change of the flow map, we show how to convert any distillation scheme into a direct training algorithm via self-distillation, eliminating the need for pre-trained teachers. We introduce three algorithmic families based on different mathematical characterizations of the flow map: Eulerian, Lagrangian, and Progressive methods, which we show encompass and extend all known distillation and direct training schemes for consistency models. We find that the novel class of Lagrangian methods, which avoid both spatial derivatives and bootstrapping from small steps by design, achieve significantly more stable training and higher performance than more standard Eulerian and Progressive schemes. Our methodology unifies existing training schemes under a single common framework and reveals new design principles for accelerated generative modeling. Associated code is available at https://github.com/nmboffi/flow-maps.

Instruction tuning has emerged as a critical paradigm for improving the capabilities and alignment of large language models (LLMs). However, existing iterative model-aware data selection methods incur significant computational overhead, as they rely on repeatedly performing full-dataset model inference to estimate sample utility for subsequent training iterations, creating a fundamental efficiency bottleneck. In this paper, we propose LEAD, an efficient iterative data selection framework that accurately estimates sample utility entirely within the standard training loop, eliminating the need for costly additional model inference. At its core, LEAD introduces Instance-Level Dynamic Uncertainty (IDU), a theoretically grounded utility function combining instantaneous training loss, gradient-based approximation of loss changes, and exponential smoothing of historical loss signals. To further scale efficiently to large datasets, LEAD employs a two-stage, coarse-to-fine selection strategy, adaptively prioritizing informative clusters through a multi-armed bandit mechanism, followed by precise fine-grained selection of high-utility samples using IDU. Extensive experiments across four diverse benchmarks show that LEAD significantly outperforms state-of-the-art methods, improving average model performance by 6.1%-10.8% while using only 2.5% of the training data and reducing overall training time by 5-10x.

As large language models (LLMs) continue to advance, their deployment often involves fine-tuning to enhance performance on specific downstream tasks. However, this customization is sometimes accompanied by misleading claims about the origins, raising significant concerns about transparency and trust within the open-source community. Existing model verification techniques typically assess functional, representational, and weight similarities. However, these approaches often struggle against obfuscation techniques, such as permutations and scaling transformations. To address this limitation, we propose a novel detection method Origin-Tracer that rigorously determines whether a model has been fine-tuned from a specified base model. This method includes the ability to extract the LoRA rank utilized during the fine-tuning process, providing a more robust verification framework. This framework is the first to provide a formalized approach specifically aimed at pinpointing the sources of model fine-tuning. We empirically validated our method on thirty-one diverse open-source models under conditions that simulate real-world obfuscation scenarios. We empirically analyze the effectiveness of our framework and finally, discuss its limitations. The results demonstrate the effectiveness of our approach and indicate its potential to establish new benchmarks for model verification.

As robustness verification methods are becoming more precise, training certifiably robust neural networks is becoming ever more relevant. To this end, certified training methods compute and then optimize an upper bound on the worst-case loss over a robustness specification. Curiously, training methods based on the imprecise interval bound propagation (IBP) consistently outperform those leveraging more precise bounding methods. Still, we lack an understanding of the mechanisms making IBP so successful. In this work, we thoroughly investigate these mechanisms by leveraging a novel metric measuring the tightness of IBP bounds. We first show theoretically that, for deep linear models, tightness decreases with width and depth at initialization, but improves with IBP training, given sufficient network width. We, then, derive sufficient and necessary conditions on weight matrices for IBP bounds to become exact and demonstrate that these impose strong regularization, explaining the empirically observed trade-off between robustness and accuracy in certified training. Our extensive experimental evaluation validates our theoretical predictions for ReLU networks, including that wider networks improve performance, yielding state-of-the-art results. Interestingly, we observe that while all IBP-based training methods lead to high tightness, this is neither sufficient nor necessary to achieve high certifiable robustness. This hints at the existence of new training methods that do not induce the strong regularization required for tight IBP bounds, leading to improved robustness and standard accuracy.

This paper offers a new perspective to ease the challenge of domain generalization, which involves maintaining robust results even in unseen environments. Our design focuses on the decision-making process in the final classifier layer. Specifically, we propose treating the element-wise contributions to the final results as the rationale for making a decision and representing the rationale for each sample as a matrix. For a well-generalized model, we suggest the rationale matrices for samples belonging to the same category should be similar, indicating the model relies on domain-invariant clues to make decisions, thereby ensuring robust results. To implement this idea, we introduce a rationale invariance loss as a simple regularization technique, requiring only a few lines of code. Our experiments demonstrate that the proposed approach achieves competitive results across various datasets, despite its simplicity. Code is available at https://github.com/liangchen527/RIDG.

We systematically evaluate Parameter-Efficient Fine-Tuning (PEFT) methods under the paradigm of Reinforcement Learning with Verifiable Rewards (RLVR). RLVR incentivizes language models to enhance their reasoning capabilities through verifiable feedback; however, while methods like LoRA are commonly used, the optimal PEFT architecture for RLVR remains unidentified. In this work, we conduct the first comprehensive evaluation of over 12 PEFT methodologies across the DeepSeek-R1-Distill families on mathematical reasoning benchmarks. Our empirical results challenge the default adoption of standard LoRA with three main findings. First, we demonstrate that structural variants, such as DoRA, AdaLoRA, and MiSS, consistently outperform LoRA. Second, we uncover a spectral collapse phenomenon in SVD-informed initialization strategies (e.g., PiSSA, MiLoRA), attributing their failure to a fundamental misalignment between principal-component updates and RL optimization. Furthermore, our ablations reveal that extreme parameter reduction (e.g., VeRA, Rank-1) severely bottlenecks reasoning capacity. We further conduct ablation studies and scaling experiments to validate our findings. This work provides a definitive guide for advocating for more exploration for parameter-efficient RL methods.

Discovering governing equations from observational data remains a fundamental challenge in scientific modeling, particularly when the underlying mathematical structure is unknown. Traditional sparse identification methods like SINDy excel at discovering parsimonious models but require researchers to specify candidate basis functions a priori, a limitation that often leads to model failure when critical terms are omitted or when systems exhibit unconventional dynamics. Purely symbolic regression approaches offer unlimited flexibility but struggle with noise sensitivity and frequently produce overly complex, unstable equations. We present AutoSINDy, a hybrid Discovery-then-Solve framework that combines the exploratory power of symbolic regression with the robust sparsity-promoting capabilities of SINDy. Our method operates in three stages: (1) PySR-based symbolic regression discovers candidate functional forms from bootstrapped data chunks; (2) a curation pipeline decomposes, expands, and filters these expressions using collinearity analysis to construct a minimal yet comprehensive library; and (3) SINDy identifies sparse governing equations from this custom-tailored library. Extensive experiments across canonical nonlinear systems demonstrate that AutoSINDy consistently recovers ground-truth equations even under high observational noise, achieving a ground-truth recovery rate of 92.8% across all trials. Compared with standard SINDy using enriched libraries and standalone symbolic regression, AutoSINDy achieves higher predictive accuracy, superior generalization to unseen trajectories, and substantially lower symbolic complexity.

A proper initialization of the weights in a neural network is critical to its convergence. Current insights into weight initialization come primarily from linear activation functions. In this paper, I develop a theory for weight initializations with non-linear activations. First, I derive a general weight initialization strategy for any neural network using activation functions differentiable at 0. Next, I derive the weight initialization strategy for the Rectified Linear Unit (RELU), and provide theoretical insights into why the Xavier initialization is a poor choice with RELU activations. My analysis provides a clear demonstration of the role of non-linearities in determining the proper weight initializations.

Differential privacy (DP) provides formal protection for sensitive data but typically incurs substantial losses in diagnostic performance. Model initialization has emerged as a critical factor in mitigating this degradation, yet the role of modern self-supervised learning under full-model DP remains poorly understood. Here, we present a large-scale evaluation of initialization strategies for differentially private medical image analysis, using chest radiograph classification as a representative benchmark with more than 800,000 images. Using state-of-the-art ConvNeXt models trained with DP-SGD across realistic privacy regimes, we compare non-domain-specific supervised ImageNet initialization, non-domain-specific self-supervised DINOv3 initialization, and domain-specific supervised pretraining on MIMIC-CXR, the largest publicly available chest radiograph dataset. Evaluations are conducted across five external datasets spanning diverse institutions and acquisition settings. We show that DINOv3 initialization consistently improves diagnostic utility relative to ImageNet initialization under DP, but remains inferior to domain-specific supervised pretraining, which achieves performance closest to non-private baselines. We further demonstrate that initialization choice strongly influences demographic fairness, cross-dataset generalization, and robustness to data scale and model capacity under privacy constraints. The results establish initialization strategy as a central determinant of utility, fairness, and generalization in differentially private medical imaging.

We propose a method to enhance 3D Gaussian Splatting (3DGS)~Kerbl2023, addressing challenges in initialization, optimization, and density control. Gaussian Splatting is an alternative for rendering realistic images while supporting real-time performance, and it has gained popularity due to its explicit 3D Gaussian representation. However, 3DGS heavily depends on accurate initialization and faces difficulties in optimizing unstructured Gaussian distributions into ordered surfaces, with limited adaptive density control mechanism proposed so far. Our first key contribution is a geometry-guided initialization to predict Gaussian parameters, ensuring precise placement and faster convergence. We then introduce a surface-aligned optimization strategy to refine Gaussian placement, improving geometric accuracy and aligning with the surface normals of the scene. Finally, we present a dynamic adaptive density control mechanism that adjusts Gaussian density based on regional complexity, for visual fidelity. These innovations enable our method to achieve high-fidelity real-time rendering and significant improvements in visual quality, even in complex scenes. Our method demonstrates comparable or superior results to state-of-the-art methods, rendering high-fidelity images in real time.

Weight initialization plays an important role in neural network training. Widely used initialization methods are proposed and evaluated for networks that are trained from scratch. However, the growing number of pretrained models now offers new opportunities for tackling this classical problem of weight initialization. In this work, we introduce weight selection, a method for initializing smaller models by selecting a subset of weights from a pretrained larger model. This enables the transfer of knowledge from pretrained weights to smaller models. Our experiments demonstrate that weight selection can significantly enhance the performance of small models and reduce their training time. Notably, it can also be used together with knowledge distillation. Weight selection offers a new approach to leverage the power of pretrained models in resource-constrained settings, and we hope it can be a useful tool for training small models in the large-model era. Code is available at https://github.com/OscarXZQ/weight-selection.

3D Gaussian Splatting (3DGS) has become the method of choice for photo-realistic 3D reconstruction of scenes, due to being able to efficiently and accurately recover the scene appearance and geometry from images. 3DGS represents the scene through a set of 3D Gaussians, parameterized by their position, spatial extent, and view-dependent color. Starting from an initial point cloud, 3DGS refines the Gaussians' parameters as to reconstruct a set of training images as accurately as possible. Typically, a sparse Structure-from-Motion point cloud is used as initialization. In order to obtain dense Gaussian clouds, 3DGS methods thus rely on a densification stage. In this paper, we systematically study the relation between densification and initialization. Proposing a new benchmark, we study combinations of different types of initializations (dense laser scans, dense (multi-view) stereo point clouds, dense monocular depth estimates, sparse SfM point clouds) and different densification schemes. We show that current densification approaches are not able to take full advantage of dense initialization as they are often unable to (significantly) improve over sparse SfM-based initialization. We will make our benchmark publicly available.

LLMs are computationally expensive to pre-train due to their large scale. Model growth emerges as a promising approach by leveraging smaller models to accelerate the training of larger ones. However, the viability of these model growth methods in efficient LLM pre-training remains underexplored. This work identifies three critical textit{O}bstacles: (O1) lack of comprehensive evaluation, (O2) untested viability for scaling, and (O3) lack of empirical guidelines. To tackle O1, we summarize existing approaches into four atomic growth operators and systematically evaluate them in a standardized LLM pre-training setting. Our findings reveal that a depthwise stacking operator, called G_{stack}, exhibits remarkable acceleration in training, leading to decreased loss and improved overall performance on eight standard NLP benchmarks compared to strong baselines. Motivated by these promising results, we conduct extensive experiments to delve deeper into G_{stack} to address O2 and O3. For O2 (untested scalability), our study shows that G_{stack} is scalable and consistently performs well, with experiments up to 7B LLMs after growth and pre-training LLMs with 750B tokens. For example, compared to a conventionally trained 7B model using 300B tokens, our G_{stack} model converges to the same loss with 194B tokens, resulting in a 54.6\% speedup. We further address O3 (lack of empirical guidelines) by formalizing guidelines to determine growth timing and growth factor for G_{stack}, making it practical in general LLM pre-training. We also provide in-depth discussions and comprehensive ablation studies of G_{stack}. Our code and pre-trained model are available at https://llm-stacking.github.io/{https://llm-stacking.github.io/}.

Synthesizing inductive loop invariants is fundamental to automating program verification. In this work, we observe that Large Language Models (such as gpt-3.5 or gpt-4) are capable of synthesizing loop invariants for a class of programs in a 0-shot setting, yet require several samples to generate the correct invariants. This can lead to a large number of calls to a program verifier to establish an invariant. To address this issue, we propose a {\it re-ranking} approach for the generated results of LLMs. We have designed a ranker that can distinguish between correct inductive invariants and incorrect attempts based on the problem definition. The ranker is optimized as a contrastive ranker. Experimental results demonstrate that this re-ranking mechanism significantly improves the ranking of correct invariants among the generated candidates, leading to a notable reduction in the number of calls to a verifier.

Large language models (LLMs) have demonstrated remarkable capabilities in code generation tasks. However, their effectiveness heavily relies on supervised training with extensive labeled (e.g., question-answering pairs) or unlabeled datasets (e.g., code snippets), which are often expensive and difficult to obtain at scale. To address this limitation, this paper introduces a method IPC, an unsupervised framework that leverages Internal Probing of LLMs for Code generation without any external corpus, even unlabeled code snippets. We introduce the problem space probing, test understanding probing, solution space probing, and knowledge consolidation and reinforcement to probe the internal knowledge and confidence patterns existing in LLMs. Further, IPC identifies reliable code candidates through self-consistency mechanisms and representation-based quality estimation to train UCoder (coder with unsupervised learning). We validate the proposed approach across multiple code benchmarks, demonstrating that unsupervised methods can achieve competitive performance compared to supervised approaches while significantly reducing the dependency on labeled data and computational resources. Analytic experiments reveal that internal model states contain rich signals about code quality and correctness, and that properly harnessing these signals enables effective unsupervised learning for code generation tasks, opening new directions for training code LLMs in resource-constrained scenarios.

We present a novel approach to neural code generation that incorporates real-time execution signals into the language model generation process. While large language models (LLMs) have demonstrated impressive code generation capabilities, they typically do not utilize execution feedback during inference, a critical signal that human programmers regularly leverage. Our method, Execution-Guided Classifier-Free Guidance (EG-CFG), dynamically incorporates execution signals as the model generates code, providing line-by-line feedback that guides the generation process toward executable solutions. EG-CFG employs a multi-stage process: first, we conduct beam search to sample candidate program completions for each line; second, we extract execution signals by executing these candidates against test cases; and finally, we incorporate these signals into the prompt during generation. By maintaining consistent signals across tokens within the same line and refreshing signals at line boundaries, our approach provides coherent guidance while preserving syntactic structure. Moreover, the method naturally supports native parallelism at the task level in which multiple agents operate in parallel, exploring diverse reasoning paths and collectively generating a broad set of candidate solutions. Our experiments across diverse coding tasks demonstrate that EG-CFG significantly improves code generation performance compared to standard approaches, achieving state-of-the-art results across various levels of complexity, from foundational problems to challenging competitive programming and data science tasks. Our code is available at: https://github.com/boazlavon/eg_cfg

Progressive Learning (PL) reduces pre-training computational overhead by gradually increasing model scale. While prior work has extensively explored depth expansion, width expansion remains significantly understudied, with the few existing methods limited to the early stages of training. However, expanding width during the mid-stage is essential for maximizing computational savings, yet it remains a formidable challenge due to severe training instabilities. Empirically, we show that naive initialization at this stage disrupts activation statistics, triggering loss spikes, while copy-based initialization introduces gradient symmetry that hinders feature diversity. To address these issues, we propose SPARKLING (balancing {S}ignal {P}reservation {A}nd symmet{R}y brea{K}ing for width-progressive {L}earn{ING}), a novel framework for mid-stage width expansion. Our method achieves signal preservation via RMS-scale consistency, stabilizing activation statistics during expansion. Symmetry breaking is ensured through asymmetric optimizer state resetting and learning rate re-warmup. Extensive experiments on Mixture-of-Experts (MoE) models demonstrate that, across multiple width axes and optimizer families, SPARKLING consistently outperforms training from scratch and reduces training cost by up to 35% under 2times width expansion.

Low-Rank Adaptation (LoRA) offers a parameter-efficient paradigm for tuning large models. While recent spectral initialization methods improve convergence and performance over the naive "Noise & Zeros" scheme, their extra computational and storage overhead undermines efficiency. In this paper, we establish update magnitude as the fundamental driver of LoRA performance and propose LoRAM, a magnitude-driven "Basis & Basis" initialization scheme that matches spectral methods without their inefficiencies. Our key contributions are threefold: (i) Magnitude of weight updates determines convergence. We prove low-rank structures intrinsically bound update magnitudes, unifying hyperparameter tuning in learning rate, scaling factor, and initialization as mechanisms to optimize magnitude regulation. (ii) Spectral initialization succeeds via magnitude amplification. We demystify that the presumed knowledge-driven benefit of the spectral component essentially arises from the boost in the weight update magnitude. (iii) A novel and compact initialization strategy, LoRAM, scales deterministic orthogonal bases using pretrained weight magnitudes to simulate spectral gains. Extensive experiments show that LoRAM serves as a strong baseline, retaining the full efficiency of LoRA while matching or outperforming spectral initialization across benchmarks.

Low-rank adapters have become standard for efficiently fine-tuning large language models (LLMs), but they often fall short of achieving the performance of full fine-tuning. We propose a method, LoRA Silver Bullet or LoRA-SB, that approximates full fine-tuning within low-rank subspaces using a carefully designed initialization strategy. We theoretically demonstrate that the architecture of LoRA-XS, which inserts a learnable (r x r) matrix between B and A while keeping other matrices fixed, provides the precise conditions needed for this approximation. We leverage its constrained update space to achieve optimal scaling for high-rank gradient updates while removing the need for hyperparameter tuning. We prove that our initialization offers an optimal low-rank approximation of the initial gradient and preserves update directions throughout training. Extensive experiments across mathematical reasoning, commonsense reasoning, and language understanding tasks demonstrate that our approach exceeds the performance of standard LoRA while using 27-90 times fewer learnable parameters, and comprehensively outperforms LoRA-XS. Our findings establish that it is possible to simulate full fine-tuning in low-rank subspaces, and achieve significant efficiency gains without sacrificing performance. Our code is publicly available at https://github.com/RaghavSinghal10/lora-sb.

Large Language Models (LLMs) have demonstrated impressive capabilities in automated code generation but frequently produce code that fails formal verification, an essential requirement for hardware and safety-critical domains. To overcome this fundamental limitation, we previously proposed PREFACE, a model-agnostic framework based on reinforcement learning (RL) that iteratively repairs the prompts provided to frozen LLMs, systematically steering them toward generating formally verifiable Dafny code without costly fine-tuning. This work presents Proof2Silicon, a novel end-to-end synthesis framework that embeds the previously proposed PREFACE flow to enable the generation of correctness-by-construction hardware directly from natural language specifications. Proof2Silicon operates by: (1) leveraging PREFACE's verifier-driven RL agent to optimize prompt generation iteratively, ensuring Dafny code correctness; (2) automatically translating verified Dafny programs into synthesizable high-level C using Dafny's Python backend and PyLog; and (3) employing Vivado HLS to produce RTL implementations. Evaluated rigorously on a challenging 100-task benchmark, PREFACE's RL-guided prompt optimization consistently improved Dafny verification success rates across diverse LLMs by up to 21%. Crucially, Proof2Silicon achieved an end-to-end hardware synthesis success rate of up to 72%, generating RTL designs through Vivado HLS synthesis flows. These results demonstrate a robust, scalable, and automated pipeline for LLM-driven, formally verified hardware synthesis, bridging natural-language specification and silicon realization.

Semantic-ID (SID) tokenizers are increasingly reused as standalone artifacts in generative recommendation: an exported item-to-code mapping becomes the address space that a later sequence generator must use. These mappings rarely come with a common inspection interface, so coverage gaps, full-code aliasing, behaviorally weak prefixes, tail compression, and prefix fan-out are often found only after downstream training. We present SIDInspector, a mapping-first diagnostic resource for SID tokenizer artifacts. SIDInspector defines a small adapter contract over item mappings, metadata, interactions, and optional generator traces; validates the contract; and reports mapping-level probes for utilization, aliasing, neighborhood alignment, popularity allocation, and structural cost, with hooks for temporal churn and generator traces. SIDInspector characterizes exported mappings independently of downstream leaderboard scores. The release covers four tokenizer lines: GRID-style RQ-KMeans under two capacity settings and a bounded ReSID/GAOQ export in a same-item Musical protocol, plus released LETTER and LC-Rec item-index artifacts. In that protocol, D2 aliasing falls from 0.977 to 0.779 under added GRID-style capacity and to 0.000 for ReSID/GAOQ, while D3 remains below a deterministic category-prefix control (0.055-0.154 versus 0.447). SIDInspector exposes capacity, addressability, and behavioral prefix alignment as distinct artifact properties before method-level evaluation. Additional domain checks show the same diagnostic distinction. Bounded fixed-reranker probes connect prefix alignment to candidate exposure, while final ranking quality remains a downstream model question.

Small Language models (SLMs) offer an efficient and accessible alternative to Large Language Models (LLMs), delivering strong performance while using far fewer resources. We introduce a simple and effective framework for pretraining SLMs that brings together three complementary ideas. First, we identify structurally sparse sub-network initializations that consistently outperform randomly initialized models of similar size under the same compute budget. Second, we use evolutionary search to automatically discover high-quality sub-network initializations, providing better starting points for pretraining. Third, we apply knowledge distillation from larger teacher models to speed up training and improve generalization. Together, these components make SLM pretraining substantially more efficient: our best model, discovered using evolutionary search and initialized with LLM weights, matches the validation perplexity of a comparable Pythia SLM while requiring 9.2x fewer pretraining tokens. We release all code and models at https://github.com/whittle-org/whittle/, offering a practical and reproducible path toward cost-efficient small language model development at scale.

Large Language Models (LLMs) have been used for novel discovery of algorithms, theorems, drugs, and other tasks through the use of harnesses that prompt an LLM to iteratively optimize an objective. In this work, we study the relationship between the population of previous iterates and eventual discovery success. We generalize past work on harness design to develop a suite of 12 harnesses called 'Modular' and characterize their performance across 5 diverse discovery tasks, finding that discovery success is brittle and sensitive to harness design. We uncover mode collapse, characterized by a dramatic drop in the diversity of iterates, as a common failure mode. We find that popular state-of-the-art harnesses and diversity-inducing harness interventions, which aim to prolong this collapse, yield inconsistent gains. Our results instead uncover that the performance of early discoveries is predictive of eventual success. We therefore propose a universally applicable intervention that performs an initial stage of parallel exploration in order to initialize subsequent iterative optimization. Our method provides consistent gains across many harnesses and target applications, confirming the importance of initialization in LLM-driven discovery.

Network embedding has been intensively studied in the literature and widely used in various applications, such as link prediction and node classification. While previous work focus on the design of new algorithms or are tailored for various problem settings, the discussion of initialization strategies in the learning process is often missed. In this work, we address this important issue of initialization for network embedding that could dramatically improve the performance of the algorithms on both effectiveness and efficiency. Specifically, we first exploit the graph partition technique that divides the graph into several disjoint subsets, and then construct an abstract graph based on the partitions. We obtain the initialization of the embedding for each node in the graph by computing the network embedding on the abstract graph, which is much smaller than the input graph, and then propagating the embedding among the nodes in the input graph. With extensive experiments on various datasets, we demonstrate that our initialization technique significantly improves the performance of the state-of-the-art algorithms on the evaluations of link prediction and node classification by up to 7.76% and 8.74% respectively. Besides, we show that the technique of initialization reduces the running time of the state-of-the-arts by at least 20%.

Layer-sequential unit-variance (LSUV) initialization - a simple method for weight initialization for deep net learning - is proposed. The method consists of the two steps. First, pre-initialize weights of each convolution or inner-product layer with orthonormal matrices. Second, proceed from the first to the final layer, normalizing the variance of the output of each layer to be equal to one. Experiment with different activation functions (maxout, ReLU-family, tanh) show that the proposed initialization leads to learning of very deep nets that (i) produces networks with test accuracy better or equal to standard methods and (ii) is at least as fast as the complex schemes proposed specifically for very deep nets such as FitNets (Romero et al. (2015)) and Highway (Srivastava et al. (2015)). Performance is evaluated on GoogLeNet, CaffeNet, FitNets and Residual nets and the state-of-the-art, or very close to it, is achieved on the MNIST, CIFAR-10/100 and ImageNet datasets.

In this paper, we introduce the Instruction Following Score (IFS), a metric that detects language models' ability to follow instructions. The metric has a dual purpose. First, IFS can be used to distinguish between base and instruct models. We benchmark publicly available base and instruct models, and show that the ratio of well formatted responses to partial and full sentences can be an effective measure between those two model classes. Secondly, the metric can be used as an early stopping criteria for instruct tuning. We compute IFS for Supervised Fine-Tuning (SFT) of 7B and 13B LLaMA models, showing that models learn to follow instructions relatively early in the training process, and the further finetuning can result in changes in the underlying base model semantics. As an example of semantics change we show the objectivity of model predictions, as defined by an auxiliary metric ObjecQA. We show that in this particular case, semantic changes are the steepest when the IFS tends to plateau. We hope that decomposing instruct tuning into IFS and semantic factors starts a new trend in better controllable instruct tuning and opens possibilities for designing minimal instruct interfaces querying foundation models.

This paper presents Model-guidance (MG), a novel objective for training diffusion model that addresses and removes of the commonly used Classifier-free guidance (CFG). Our innovative approach transcends the standard modeling of solely data distribution to incorporating the posterior probability of conditions. The proposed technique originates from the idea of CFG and is easy yet effective, making it a plug-and-play module for existing models. Our method significantly accelerates the training process, doubles the inference speed, and achieve exceptional quality that parallel and even surpass concurrent diffusion models with CFG. Extensive experiments demonstrate the effectiveness, efficiency, scalability on different models and datasets. Finally, we establish state-of-the-art performance on ImageNet 256 benchmarks with an FID of 1.34. Our code is available at https://github.com/tzco/Diffusion-wo-CFG.

Classifier-free guidance (CFG) has become an essential component of modern diffusion models to enhance both generation quality and alignment with input conditions. However, CFG requires specific training procedures and is limited to conditional generation. To address these limitations, we propose Token Perturbation Guidance (TPG), a novel method that applies perturbation matrices directly to intermediate token representations within the diffusion network. TPG employs a norm-preserving shuffling operation to provide effective and stable guidance signals that improve generation quality without architectural changes. As a result, TPG is training-free and agnostic to input conditions, making it readily applicable to both conditional and unconditional generation. We further analyze the guidance term provided by TPG and show that its effect on sampling more closely resembles CFG compared to existing training-free guidance techniques. Extensive experiments on SDXL and Stable Diffusion 2.1 show that TPG achieves nearly a 2times improvement in FID for unconditional generation over the SDXL baseline, while closely matching CFG in prompt alignment. These results establish TPG as a general, condition-agnostic guidance method that brings CFG-like benefits to a broader class of diffusion models. The code is available at https://github.com/TaatiTeam/Token-Perturbation-Guidance

Training a high-quality deep neural network requires choosing suitable hyperparameters, which is a non-trivial and expensive process. Current works try to automatically optimize or design principles of hyperparameters, such that they can generalize to diverse unseen scenarios. However, most designs or optimization methods are agnostic to the choice of network structures, and thus largely ignore the impact of neural architectures on hyperparameters. In this work, we precisely characterize the dependence of initializations and maximal learning rates on the network architecture, which includes the network depth, width, convolutional kernel size, and connectivity patterns. By pursuing every parameter to be maximally updated with the same mean squared change in pre-activations, we can generalize our initialization and learning rates across MLPs (multi-layer perception) and CNNs (convolutional neural network) with sophisticated graph topologies. We verify our principles with comprehensive experiments. More importantly, our strategy further sheds light on advancing current benchmarks for architecture design. A fair comparison of AutoML algorithms requires accurate network rankings. However, we demonstrate that network rankings can be easily changed by better training networks in benchmarks with our architecture-aware learning rates and initialization.

We introduce 4DGS360, a diffusion-free framework for 360^{circ} dynamic object reconstruction from casual monocular video. Existing methods often fail to reconstruct consistent 360^{circ} geometry, as their heavy reliance on 2D-native priors causes initial points to overfit to visible surface in each training view. 4DGS360 addresses this challenge through a advanced 3D-native initialization that mitigates the geometric ambiguity of occluded regions. Our proposed 3D tracker, AnchorTAP3D, produces reinforced 3D point trajectories by leveraging confident 2D track points as anchors, suppressing drift and providing reliable initialization that preserves geometry in occluded regions. This initialization, combined with optimization, yields coherent 360^{circ} 4D reconstructions. We further present iPhone360, a new benchmark where test cameras are placed up to 135^{circ} apart from training views, enabling 360^{circ} evaluation that existing datasets cannot provide. Experiments show that 4DGS360 achieves state-of-the-art performance on the iPhone360, iPhone, and DAVIS datasets, both qualitatively and quantitatively.

Is the lottery ticket phenomenon an idiosyncrasy of gradient-based training or does it generalize to evolutionary optimization? In this paper we establish the existence of highly sparse trainable initializations for evolution strategies (ES) and characterize qualitative differences compared to gradient descent (GD)-based sparse training. We introduce a novel signal-to-noise iterative pruning procedure, which incorporates loss curvature information into the network pruning step. This can enable the discovery of even sparser trainable network initializations when using black-box evolution as compared to GD-based optimization. Furthermore, we find that these initializations encode an inductive bias, which transfers across different ES, related tasks and even to GD-based training. Finally, we compare the local optima resulting from the different optimization paradigms and sparsity levels. In contrast to GD, ES explore diverse and flat local optima and do not preserve linear mode connectivity across sparsity levels and independent runs. The results highlight qualitative differences between evolution and gradient-based learning dynamics, which can be uncovered by the study of iterative pruning procedures.

Recently, bound propagation based certified robust training methods have been proposed for training neural networks with certifiable robustness guarantees. Despite that state-of-the-art (SOTA) methods including interval bound propagation (IBP) and CROWN-IBP have per-batch training complexity similar to standard neural network training, they usually use a long warmup schedule with hundreds or thousands epochs to reach SOTA performance and are thus still costly. In this paper, we identify two important issues in existing methods, namely exploded bounds at initialization, and the imbalance in ReLU activation states and improve IBP training. These two issues make certified training difficult and unstable, and thereby long warmup schedules were needed in prior works. To mitigate these issues and conduct faster certified training with shorter warmup, we propose three improvements based on IBP training: 1) We derive a new weight initialization method for IBP training; 2) We propose to fully add Batch Normalization (BN) to each layer in the model, since we find BN can reduce the imbalance in ReLU activation states; 3) We also design regularization to explicitly tighten certified bounds and balance ReLU activation states during wamrup. We are able to obtain 65.03% verified error on CIFAR-10 (epsilon=8{255}) and 82.36% verified error on TinyImageNet (epsilon=1{255}) using very short training schedules (160 and 80 total epochs, respectively), outperforming literature SOTA trained with hundreds or thousands epochs under the same network architecture. The code is available at https://github.com/shizhouxing/Fast-Certified-Robust-Training.

Large language models~(LLMs) are instruction followers, but it can be challenging to find the best instruction for different situations, especially for black-box LLMs on which backpropagation is forbidden. Instead of directly optimizing the discrete instruction, we optimize a low-dimensional soft prompt applied to an open-source LLM to generate the instruction for the black-box LLM. On each iteration of the proposed method, which we call InstructZero, a soft prompt is converted into an instruction using the open-source LLM, which is then submitted to the black-box LLM for zero-shot evaluation, and the performance is sent to Bayesian optimization to produce new soft prompts improving the zero-shot performance. We evaluate InstructZero on different combinations of open-source LLMs and APIs including Vicuna and ChatGPT. Our results show that InstructZero outperforms SOTA auto-instruction methods across a variety of downstream tasks. Our code and data are publicly available at https://github.com/Lichang-Chen/InstructZero.

Model selection/optimization in conformal inference is challenging, since it may break the exchangeability between labeled and unlabeled data. We study this problem in the context of conformal selection, which uses conformal p-values to select ``interesting'' instances with large unobserved labels from a pool of unlabeled data, while controlling the FDR in finite sample. For validity, existing solutions require the model choice to be independent of the data used to construct the p-values and calibrate the selection set. However, when presented with many model choices and limited labeled data, it is desirable to (i) select the best model in a data-driven manner, and (ii) mitigate power loss due to sample splitting. This paper presents OptCS, a general framework that allows valid statistical testing (selection) after flexible data-driven model optimization. We introduce general conditions under which OptCS constructs valid conformal p-values despite substantial data reuse and handles complex p-value dependencies to maintain finite-sample FDR control via a novel multiple testing procedure. We instantiate this general recipe to propose three FDR-controlling procedures, each optimizing the models differently: (i) selecting the most powerful one among multiple pre-trained candidate models, (ii) using all data for model fitting without sample splitting, and (iii) combining full-sample model fitting and selection. We demonstrate the efficacy of our methods via simulation studies and real applications in drug discovery and alignment of large language models in radiology report generation.

Combining discrete probability distributions and combinatorial optimization problems with neural network components has numerous applications but poses several challenges. We propose Implicit Maximum Likelihood Estimation (I-MLE), a framework for end-to-end learning of models combining discrete exponential family distributions and differentiable neural components. I-MLE is widely applicable as it only requires the ability to compute the most probable states and does not rely on smooth relaxations. The framework encompasses several approaches such as perturbation-based implicit differentiation and recent methods to differentiate through black-box combinatorial solvers. We introduce a novel class of noise distributions for approximating marginals via perturb-and-MAP. Moreover, we show that I-MLE simplifies to maximum likelihood estimation when used in some recently studied learning settings that involve combinatorial solvers. Experiments on several datasets suggest that I-MLE is competitive with and often outperforms existing approaches which rely on problem-specific relaxations.

The hardware ecosystem is rapidly evolving, with increasing interest in translating low-level programs across different instruction set architectures (ISAs) in a quick, flexible, and correct way to enhance the portability and longevity of existing code. A particularly challenging class of this transpilation problem is translating between complex- (CISC) and reduced- (RISC) hardware architectures, due to fundamental differences in instruction complexity, memory models, and execution paradigms. In this work, we introduce GG (Guaranteed Guess), an ISA-centric transpilation pipeline that combines the translation power of pre-trained large language models (LLMs) with the rigor of established software testing constructs. Our method generates candidate translations using an LLM from one ISA to another, and embeds such translations within a software-testing framework to build quantifiable confidence in the translation. We evaluate our GG approach over two diverse datasets, enforce high code coverage (>98%) across unit tests, and achieve functional/semantic correctness of 99% on HumanEval programs and 49% on BringupBench programs, respectively. Further, we compare our approach to the state-of-the-art Rosetta 2 framework on Apple Silicon, showcasing 1.73x faster runtime performance, 1.47x better energy efficiency, and 2.41x better memory usage for our transpiled code, demonstrating the effectiveness of GG for real-world CISC-to-RISC translation tasks. We will open-source our codes, data, models, and benchmarks to establish a common foundation for ISA-level code translation research.

Test-time scaling often uses an external verifier, such as compilers and test cases in coding or trained value functions in robotics applications, to obtain high-quality rollouts. Verifier-free test-time scaling (or VF-TTS) is gaining extensive attention as a mechanism to enhance Large Language Model (LLM) reasoning, primarily because we do not have access to such high-quality verifiers in many real-world applications. Among existing VF-TTS methods, confidence-based VF-TTS methods, which compute and rank rollouts solely by confidence, are particularly promising. Such methods introduce near-zero overhead for sample evaluation and require minimal access to internal model states, making the methods highly flexible across models and tasks. In this paper, we demonstrate a critical limitation of existing confidence-based VF-TTS methods by showing that such methods catastrophically break down on complex tasks. We observe a very interesting phenomenon: uniformly high confidence frequently indicates a failure to explore, favoring confidently wrong answers. To address this, our core insight is that robust cognitive search requires a specific confidence trajectory pattern: such methods perform exploratory branching at the beginning, as manifested by low initial confidence, and converge to a high final confidence solution. To implement this insight, we introduce consilience, a novel selection framework that explicitly evaluates the temporal asymmetry of confidence in reasoning. We operationalize this via a combinatorial metric that actively penalizes high initial confidence while strictly demanding final certainty. Extensive experiments covering both graduate-level mathematics problems and free-form code generation demonstrate that consilience effectively outperforms existing baselines, validating our novel perspective on completion confidence.

Large Language Models (LLMs) have demonstrated remarkable capabilities in various tasks, yet code generation remains a major challenge. Current approaches for obtaining high-quality code data primarily focus on (i) collecting large-scale pre-training data and (ii) synthesizing instruction data through prompt engineering with powerful models. While pre-training data faces quality consistency issues, instruction-based synthesis suffers from limited instruction diversity and inherent biases of LLMs. To address this gap, we introduce UnitCoder, a systematic pipeline leveraging model-generated unit tests to both guide and validate the code generation process. Combined with large-scale package-based retrieval from pre-training corpus, we generate a dataset of 500K+ verifiable programs containing diverse API calls. Evaluations on multiple Python benchmarks (BigCodeBench, HumanEval, MBPP) demonstrate that models fine-tuned on our synthetic data exhibit consistent performance improvements. Notably, Llama3.1-8B and InternLM2.5-7B improve from 31\% and 28\% to 40\% and 39\% success rates on BigCodeBench, respectively. Our work presents a scalable approach that leverages model-generated unit tests to guide the synthesis of high-quality code data from pre-training corpora, demonstrating the potential for producing diverse and high-quality post-training data at scale. All code and data will be released (https://github.com).

While plan-and-infill decoding in Masked Diffusion Models (MDMs) shows promise for mathematical and code reasoning, performance remains highly sensitive to slot infilling order, often yielding substantial output variance. We introduce McDiffuSE, a framework that formulates slot selection as decision making and optimises infilling orders through Monte Carlo Tree Search (MCTS). McDiffuSE uses look-ahead simulations to evaluate partial completions before commitment, systematically exploring the combinatorial space of generation orders. Experiments show an average improvement of 3.2% over autoregressive baselines and 8.0% over baseline plan-and-infill, with notable gains of 19.5% on MBPP and 4.9% on MATH500. Our analysis reveals that while McDiffuSE predominantly follows sequential ordering, incorporating non-sequential generation is essential for maximising performance. We observe that larger exploration constants, rather than increased simulations, are necessary to overcome model confidence biases and discover effective orderings. These findings establish MCTS-based planning as an effective approach for enhancing generation quality in MDMs.

We present a novel approach to accelerate stochastic gradient descent (SGD) by utilizing curvature information obtained from Hessian-vector products or finite differences of parameters and gradients, similar to the BFGS algorithm. Our approach involves two preconditioners: a matrix-free preconditioner and a low-rank approximation preconditioner. We update both preconditioners online using a criterion that is robust to stochastic gradient noise and does not require line search or damping. To preserve the corresponding symmetry or invariance, our preconditioners are constrained to certain connected Lie groups. The Lie group's equivariance property simplifies the preconditioner fitting process, while its invariance property eliminates the need for damping, which is commonly required in second-order optimizers. As a result, the learning rate for parameter updating and the step size for preconditioner fitting are naturally normalized, and their default values work well in most scenarios. Our proposed approach offers a promising direction for improving the convergence of SGD with low computational overhead. We demonstrate that Preconditioned SGD (PSGD) outperforms SoTA on Vision, NLP, and RL tasks across multiple modern deep-learning architectures. We have provided code for reproducing toy and large scale experiments in this paper.

Recent work reported that simple Bayesian optimization (BO) methods perform well for high-dimensional real-world tasks, seemingly contradicting prior work and tribal knowledge. This paper investigates why. We identify underlying challenges that arise in high-dimensional BO and explain why recent methods succeed. Our empirical analysis shows that vanishing gradients caused by Gaussian process (GP) initialization schemes play a major role in the failures of high-dimensional Bayesian optimization (HDBO) and that methods that promote local search behaviors are better suited for the task. We find that maximum likelihood estimation (MLE) of GP length scales suffices for state-of-the-art performance. Based on this, we propose a simple variant of MLE called MSR that leverages these findings to achieve state-of-the-art performance on a comprehensive set of real-world applications. We present targeted experiments to illustrate and confirm our findings.

In deep learning, performance is strongly affected by the choice of architecture and hyperparameters. While there has been extensive work on automatic hyperparameter optimization for simple spaces, complex spaces such as the space of deep architectures remain largely unexplored. As a result, the choice of architecture is done manually by the human expert through a slow trial and error process guided mainly by intuition. In this paper we describe a framework for automatically designing and training deep models. We propose an extensible and modular language that allows the human expert to compactly represent complex search spaces over architectures and their hyperparameters. The resulting search spaces are tree-structured and therefore easy to traverse. Models can be automatically compiled to computational graphs once values for all hyperparameters have been chosen. We can leverage the structure of the search space to introduce different model search algorithms, such as random search, Monte Carlo tree search (MCTS), and sequential model-based optimization (SMBO). We present experiments comparing the different algorithms on CIFAR-10 and show that MCTS and SMBO outperform random search. In addition, these experiments show that our framework can be used effectively for model discovery, as it is possible to describe expressive search spaces and discover competitive models without much effort from the human expert. Code for our framework and experiments has been made publicly available.

Mechanistic interpretability methods aim to identify the algorithm a neural network implements, but it is difficult to validate such methods when the true algorithm is unknown. This work presents InterpBench, a collection of semi-synthetic yet realistic transformers with known circuits for evaluating these techniques. We train these neural networks using a stricter version of Interchange Intervention Training (IIT) which we call Strict IIT (SIIT). Like the original, SIIT trains neural networks by aligning their internal computation with a desired high-level causal model, but it also prevents non-circuit nodes from affecting the model's output. We evaluate SIIT on sparse transformers produced by the Tracr tool and find that SIIT models maintain Tracr's original circuit while being more realistic. SIIT can also train transformers with larger circuits, like Indirect Object Identification (IOI). Finally, we use our benchmark to evaluate existing circuit discovery techniques.

Modern neural network optimization relies heavily on architectural priorssuch as Batch Normalization and Residual connectionsto stabilize training dynamics. Without these, or in low-data regimes with aggressive augmentation, low-bias architectures like Vision Transformers (ViTs) often suffer from optimization collapse. This work adopts Sketched Isotropic Gaussian Regularization (SIGReg), recently introduced in the LeJEPA self-supervised framework, and repurposes it as a general optimization stabilizer for supervised learning. While the original formulation targets the full characteristic function, a computationally efficient variant is derived, Weak-SIGReg, which targets the covariance matrix via random sketching. Inspired by interacting particle systems, representation collapse is viewed as stochastic drift; SIGReg constrains the representation density towards an isotropic Gaussian, mitigating this drift. Empirically, SIGReg recovers the training of a ViT on CIFAR-100 from a collapsed 20.73\% to 72.02\% accuracy without architectural hacks and significantly improves the convergence of deep vanilla MLPs trained with pure SGD. Code is available at https://github.com/kreasof-ai/sigreg{github.com/kreasof-ai/sigreg}.

The deployment of machine learning models in operational contexts represents a significant investment for any organisation. Consequently, the risk of these models being misappropriated by competitors needs to be addressed. In recent years, numerous proposals have been put forth to detect instances of model stealing. However, these proposals operate under implicit and disparate data and model access assumptions; as a consequence, it remains unclear how they can be effectively compared to one another. Our evaluation shows that a simple baseline that we introduce performs on par with existing state-of-the-art fingerprints, which, on the other hand, are much more complex. To uncover the reasons behind this intriguing result, this paper introduces a systematic approach to both the creation of model fingerprinting schemes and their evaluation benchmarks. By dividing model fingerprinting into three core components -- Query, Representation and Detection (QuRD) -- we are able to identify sim100 previously unexplored QuRD combinations and gain insights into their performance. Finally, we introduce a set of metrics to compare and guide the creation of more representative model stealing detection benchmarks. Our approach reveals the need for more challenging benchmarks and a sound comparison with baselines. To foster the creation of new fingerprinting schemes and benchmarks, we open-source our fingerprinting toolbox.

In this work, we undertake the challenge of augmenting the existing generative capabilities of pre-trained text-only large language models (LLMs) with multi-modal generation capability while satisfying two core constraints: C1 preserving the preservation of original language generative capabilities with negligible performance degradation, and C2 adhering to a small parameter budget to learn the new modality, ensuring scalability and efficiency. In contrast to current approaches that add dedicated modules, thereby significantly increasing the parameter count, we propose a method that leverages the underutilized capacity inherent in deep models. Specifically, we exploit the parameter redundancy within Mixture-of-Experts (MoEs) as a source of additional capacity for learning a new modality, enabling better parameter efficiency (C1). Moreover, we preserve the original language generation capabilities by applying low-rank adaptation exclusively to the tokens of the new modality (C2). Furthermore, we introduce a novel parameter initialization scheme based on the Gromov-Wasserstein distance to improve convergence and training stability. Through an extensive analysis of the routing mechanism, we uncover the emergence of modality-specific pathways and decreased redundancy within the experts that can efficiently unlock multi-modal generative capabilities. Overall, our method can be seamlessly applied to a wide range of contemporary LLMs, providing a new pathway for transitioning from uni-modal to multi-modal architectures.

A reliable language model should be able to signal, prior to generation, when a query falls outside its knowledge. We investigate whether representation geometry can provide such a pre-generation signal by measuring the deviation of hidden states from an answerable reference set, requiring no labeled failure data and no access to model outputs. Across three instruction-tuned models (Llama 3.1-8B, Qwen 2.5-7B, and Mistral-7B-Instruct) and three prompt forms (Math, Fact, Code), we find that geometry primarily encodes task form. Within mathematical prompts, unanswerable inputs consistently deviate from the answerable centroid, yielding strong separation (ROC-AUC 0.78-0.84). This single-pass pre-generation signal outperforms a simple refusal baseline and compares favorably to self-consistency. It also captures cases where models do not explicitly refuse. In contrast, no reliable geometric signal emerges for factual prompts, indicating that the effect is form-conditional rather than universal. Code prompts show large effect sizes with higher variance, suggesting partial generalization beyond mathematical form. A layer-wise analysis reveals that the signal arises in early layers and gradually attenuates toward the output. These results suggest that answerability-related geometry is established before the final stages of generation. Together, these findings indicate that geometric deviation can serve as a lightweight pre-generation signal that is reliable in structured domains with formal answerability constraints, with clear boundaries on where it generalizes.

Recently, Large Language Models (LLMs) have achieved significant success, prompting increased interest in expanding their generative capabilities beyond general text into domain-specific areas. This study investigates the generation of parametric sequences for computer-aided design (CAD) models using LLMs. This endeavor represents an initial step towards creating parametric 3D shapes with LLMs, as CAD model parameters directly correlate with shapes in three-dimensional space. Despite the formidable generative capacities of LLMs, this task remains challenging, as these models neither encounter parametric sequences during their pretraining phase nor possess direct awareness of 3D structures. To address this, we present CAD-Llama, a framework designed to enhance pretrained LLMs for generating parametric 3D CAD models. Specifically, we develop a hierarchical annotation pipeline and a code-like format to translate parametric 3D CAD command sequences into Structured Parametric CAD Code (SPCC), incorporating hierarchical semantic descriptions. Furthermore, we propose an adaptive pretraining approach utilizing SPCC, followed by an instruction tuning process aligned with CAD-specific guidelines. This methodology aims to equip LLMs with the spatial knowledge inherent in parametric sequences. Experimental results demonstrate that our framework significantly outperforms prior autoregressive methods and existing LLM baselines.

We consider the problem of learning a target function corresponding to a single hidden layer neural network, with a quadratic activation function after the first layer, and random weights. We consider the asymptotic limit where the input dimension and the network width are proportionally large. Recent work [Cui & al '23] established that linear regression provides Bayes-optimal test error to learn such a function when the number of available samples is only linear in the dimension. That work stressed the open challenge of theoretically analyzing the optimal test error in the more interesting regime where the number of samples is quadratic in the dimension. In this paper, we solve this challenge for quadratic activations and derive a closed-form expression for the Bayes-optimal test error. We also provide an algorithm, that we call GAMP-RIE, which combines approximate message passing with rotationally invariant matrix denoising, and that asymptotically achieves the optimal performance. Technically, our result is enabled by establishing a link with recent works on optimal denoising of extensive-rank matrices and on the ellipsoid fitting problem. We further show empirically that, in the absence of noise, randomly-initialized gradient descent seems to sample the space of weights, leading to zero training loss, and averaging over initialization leads to a test error equal to the Bayes-optimal one.

Large language models have led to state-of-the-art accuracies across a range of tasks. However,training large language model needs massive computing resource, as more and more open source pre-training models are available, it is worthy to study how to take full advantage of available model. We find a method to save training time and resource cost by changing the small well-trained model to large model. We initialize a larger target model from a smaller source model by copy weight values from source model and padding with zeros or small initialization values on it to make the source and target model have approximate outputs, which is valid due to block matrix multiplication and residual connection in transformer structure. We test the target model on several data sets and find it is still comparable with the source model. When we continue training the target model, the training loss can start from a smaller value.

Scene flow characterizes the 3D motion between two LiDAR scans captured by an autonomous vehicle at nearby timesteps. Prevalent methods consider scene flow as point-wise unconstrained flow vectors that can be learned by either large-scale training beforehand or time-consuming optimization at inference. However, these methods do not take into account that objects in autonomous driving often move rigidly. We incorporate this rigid-motion assumption into our design, where the goal is to associate objects over scans and then estimate the locally rigid transformations. We propose ICP-Flow, a learning-free flow estimator. The core of our design is the conventional Iterative Closest Point (ICP) algorithm, which aligns the objects over time and outputs the corresponding rigid transformations. Crucially, to aid ICP, we propose a histogram-based initialization that discovers the most likely translation, thus providing a good starting point for ICP. The complete scene flow is then recovered from the rigid transformations. We outperform state-of-the-art baselines, including supervised models, on the Waymo dataset and perform competitively on Argoverse-v2 and nuScenes. Further, we train a feedforward neural network, supervised by the pseudo labels from our model, and achieve top performance among all models capable of real-time inference. We validate the advantage of our model on scene flow estimation with longer temporal gaps, up to 0.4 seconds where other models fail to deliver meaningful results.

Leveraging machine-learning (ML) techniques for compiler optimizations has been widely studied and explored in academia. However, the adoption of ML in general-purpose, industry strength compilers has yet to happen. We propose MLGO, a framework for integrating ML techniques systematically in an industrial compiler -- LLVM. As a case study, we present the details and results of replacing the heuristics-based inlining-for-size optimization in LLVM with machine learned models. To the best of our knowledge, this work is the first full integration of ML in a complex compiler pass in a real-world setting. It is available in the main LLVM repository. We use two different ML algorithms: Policy Gradient and Evolution Strategies, to train the inlining-for-size model, and achieve up to 7\% size reduction, when compared to state of the art LLVM -Oz. The same model, trained on one corpus, generalizes well to a diversity of real-world targets, as well as to the same set of targets after months of active development. This property of the trained models is beneficial to deploy ML techniques in real-world settings.

Program synthesis aims to create accurate, executable code from natural language descriptions. This field has leveraged the power of reinforcement learning (RL) in conjunction with large language models (LLMs), significantly enhancing code generation capabilities. This integration focuses on directly optimizing functional correctness, transcending conventional supervised losses. While current literature predominantly favors policy-based algorithms, attributes of program synthesis suggest a natural compatibility with value-based methods. This stems from rich collection of off-policy programs developed by human programmers, and the straightforward verification of generated programs through automated unit testing (i.e. easily obtainable rewards in RL language). Diverging from the predominant use of policy-based algorithms, our work explores the applicability of value-based approaches, leading to the development of our B-Coder (pronounced Bellman coder). Yet, training value-based methods presents challenges due to the enormous search space inherent to program synthesis. To this end, we propose an initialization protocol for RL agents utilizing pre-trained LMs and a conservative Bellman operator to reduce training complexities. Moreover, we demonstrate how to leverage the learned value functions as a dual strategy to post-process generated programs. Our empirical evaluations demonstrated B-Coder's capability in achieving state-of-the-art performance compared with policy-based methods. Remarkably, this achievement is reached with minimal reward engineering effort, highlighting the effectiveness of value-based RL, independent of reward designs.

As Large Language Models (LLMs) become integral software components in modern applications, unauthorized model derivations through fine-tuning, merging, and redistribution have emerged as critical software engineering challenges. Unlike traditional software where clone detection and license compliance are well-established, the LLM ecosystem lacks effective mechanisms to detect model lineage and enforce licensing agreements. This gap is particularly problematic when open-source model creators, such as Meta's LLaMA, require derivative works to maintain naming conventions for attribution, yet no technical means exist to verify compliance. To fill this gap, treating LLMs as software artifacts requiring provenance tracking, we present TensorGuard, a gradient-based fingerprinting framework for LLM similarity detection and family classification. Our approach extracts model-intrinsic behavioral signatures by analyzing gradient responses to random input perturbations across tensor layers, operating independently of training data, watermarks, or specific model formats. TensorGuard supports the widely-adopted safetensors format and constructs high-dimensional fingerprints through statistical analysis of gradient features. These fingerprints enable two complementary capabilities: direct pairwise similarity assessment between arbitrary models through distance computation, and systematic family classification of unknown models via the K-Means clustering algorithm with domain-informed centroid initialization using known base models. Experimental evaluation on 58 models comprising 8 base models and 50 derivatives across five model families (Llama, Qwen, Gemma, Phi, Mistral) demonstrates 94% classification accuracy under our centroid-initialized K-Means clustering.

Post-training, which elicits a pretrained Base model into the corresponding Instruct model, is widely considered to be superficial. In this work, we first reinforce this hypothesis by providing novel quantitative evidence from the weight level that the effective rank (eRank) remains negligibly changed. However, this superficiality also suffers a critical trade-off, improving the exploitation capabilities at the cost of limiting its exploration. To tackle this issue, we propose Timber, a simple yet effective training-free method that enhances the exploration capability of the Instruct model while preserving its exploitation. The key insight is to partially revert Instruct towards the paired Base model by subtle yet targeted refinement of the weight deltas. Extensive experiments on Llama and Qwen series demonstrate that Timber consistently improves vanilla Instruct models, particularly on Pass@k performance. Our findings offer new insights into the post-training stage at the weight level and practical strategies to refine the Instruct model without training.

This paper proposes a neuro-symbolic framework for G-code generation that seeks to integrate the neural generative capabilities of the GLLM method (Abdelaal et al., 2025) with formal verification via a Separation Logic (SL) prover. To establish a reliable physical baseline, the framework extracts deterministic boundary representations from 3D CAD models (STEP files) using the OpenCASCADE framework. This extracted geometric data supports a two-component architecture: the LLM serves as an initial code generator, while the SL Prover, utilizing a Spatial Heap model, evaluates the output. By conceptualizing physical collisions as logical Spatial Data Races -- violations of the separating conjunction in SL -- our framework translates proof failures into structured mathematical feedback. These failures are condensed into bounding boxes that serve as directives for the LLM's iterative self-correction. Ultimately, this work aims to develop a self-correcting system that reduces the need for human supervision, leading to safer and verified autonomous manufacturing.

With the growing demand for applying large language models to downstream tasks, improving model alignment performance and efficiency has become crucial. Such a process involves selecting informative instructions from a candidate pool. However, due to the complexity of instruction set distributions, the key factors driving the performance of aligned models remain unclear. As a result, current instruction set refinement methods fail to improve performance as the instruction pool expands continuously. To address this issue, we first investigate the key factors that influence the relationship between instruction dataset distribution and aligned model performance. Based on these insights, we propose a novel instruction data selection method. We identify that the depth of instructions and the coverage of the semantic space are the crucial factors determining downstream performance, which could explain over 70\% of the model loss on the development set. We then design an instruction selection algorithm to simultaneously maximize the depth and semantic coverage of the selected instructions. Experimental results demonstrate that, compared to state-of-the-art baseline methods, it can sustainably improve model performance at a faster pace and thus achieve ``Accelerated Scaling''.

While classifier-free guidance (CFG) is essential for conditional diffusion models, it doubles the number of neural function evaluations (NFEs) per inference step. To mitigate this inefficiency, we introduce adapter guidance distillation (AGD), a novel approach that simulates CFG in a single forward pass. AGD leverages lightweight adapters to approximate CFG, effectively doubling the sampling speed while maintaining or even improving sample quality. Unlike prior guidance distillation methods that tune the entire model, AGD keeps the base model frozen and only trains minimal additional parameters (sim2%) to significantly reduce the resource requirement of the distillation phase. Additionally, this approach preserves the original model weights and enables the adapters to be seamlessly combined with other checkpoints derived from the same base model. We also address a key mismatch between training and inference in existing guidance distillation methods by training on CFG-guided trajectories instead of standard diffusion trajectories. Through extensive experiments, we show that AGD achieves comparable or superior FID to CFG across multiple architectures with only half the NFEs. Notably, our method enables the distillation of large models (sim2.6B parameters) on a single consumer GPU with 24 GB of VRAM, making it more accessible than previous approaches that require multiple high-end GPUs. We will publicly release the implementation of our method.

The rapid emergence of Large Language Models (LLMs) has precipitated a profound paradigm shift in Artificial Intelligence, delivering monumental engineering successes that increasingly impact modern society. However, a critical paradox persists within the current field: despite the empirical efficacy, our theoretical understanding of LLMs remains disproportionately nascent, forcing these systems to be treated largely as ``black boxes''. To address this theoretical fragmentation, this survey proposes a unified lifecycle-based taxonomy that organizes the research landscape into six distinct stages: Data Preparation, Model Preparation, Training, Alignment, Inference, and Evaluation. Within this framework, we provide a systematic review of the foundational theories and internal mechanisms driving LLM performance. Specifically, we analyze core theoretical issues such as the mathematical justification for data mixtures, the representational limits of various architectures, and the optimization dynamics of alignment algorithms. Moving beyond current best practices, we identify critical frontier challenges, including the theoretical limits of synthetic data self-improvement, the mathematical bounds of safety guarantees, and the mechanistic origins of emergent intelligence. By connecting empirical observations with rigorous scientific inquiry, this work provides a structured roadmap for transitioning LLM development from engineering heuristics toward a principled scientific discipline.

The initial state of neural networks plays a central role in conditioning the subsequent training dynamics. In the context of classification problems, we provide a theoretical analysis demonstrating that the structure of a neural network can condition the model to assign all predictions to the same class, even before the beginning of training, and in the absence of explicit biases. We show that the presence of this phenomenon, which we call "Initial Guessing Bias" (IGB), depends on architectural choices such as activation functions, max-pooling layers, and network depth. Our analysis of IGB has practical consequences, in that it guides architecture selection and initialization. We also highlight theoretical consequences, such as the breakdown of node-permutation symmetry, the violation of self-averaging, the validity of some mean-field approximations, and the non-trivial differences arising with depth.

The pre-training phase of language models often begins with randomly initialized parameters. With the current trends in scaling models, training their large number of parameters can be extremely slow and costly. In contrast, small language models are less expensive to train, but they often cannot achieve the accuracy of large models. In this paper, we explore an intriguing idea to connect these two different regimes: Can we develop a method to initialize large language models using smaller pre-trained models? Will such initialization bring any benefits in terms of training time and final accuracy? In this paper, we introduce HyperCloning, a method that can expand the parameters of a pre-trained language model to those of a larger model with increased hidden dimensions. Our method ensures that the larger model retains the functionality of the smaller model. As a result, the larger model already inherits the predictive power and accuracy of the smaller model before the training starts. We demonstrate that training such an initialized model results in significant savings in terms of GPU hours required for pre-training large language models.

In this work, we present a naive initialization scheme for word vectors based on a dense, independent co-occurrence model and provide preliminary results that suggest it is competitive and warrants further investigation. Specifically, we demonstrate through information-theoretic minimum description length (MDL) probing that our model, EigenNoise, can approach the performance of empirically trained GloVe despite the lack of any pre-training data (in the case of EigenNoise). We present these preliminary results with interest to set the stage for further investigations into how this competitive initialization works without pre-training data, as well as to invite the exploration of more intelligent initialization schemes informed by the theory of harmonic linguistic structure. Our application of this theory likewise contributes a novel (and effective) interpretation of recent discoveries which have elucidated the underlying distributional information that linguistic representations capture from data and contrast distributions.

We investigate the theoretical foundations of classifier-free guidance (CFG). CFG is the dominant method of conditional sampling for text-to-image diffusion models, yet unlike other aspects of diffusion, it remains on shaky theoretical footing. In this paper, we disprove common misconceptions, by showing that CFG interacts differently with DDPM (Ho et al., 2020) and DDIM (Song et al., 2021), and neither sampler with CFG generates the gamma-powered distribution p(x|c)^gamma p(x)^{1-gamma}. Then, we clarify the behavior of CFG by showing that it is a kind of predictor-corrector method (Song et al., 2020) that alternates between denoising and sharpening, which we call predictor-corrector guidance (PCG). We prove that in the SDE limit, CFG is actually equivalent to combining a DDIM predictor for the conditional distribution together with a Langevin dynamics corrector for a gamma-powered distribution (with a carefully chosen gamma). Our work thus provides a lens to theoretically understand CFG by embedding it in a broader design space of principled sampling methods.

Domain Generalization (DG) is a critical area that focuses on developing models capable of performing well on data from unseen distributions, which is essential for real-world applications. Existing approaches primarily concentrate on learning domain-invariant features, which assume that a model robust to variations in the source domains will generalize well to unseen target domains. However, these approaches neglect a deeper analysis at the parameter level, which makes the model hard to explicitly differentiate between parameters sensitive to domain shifts and those robust, potentially hindering its overall ability to generalize. In order to address these limitations, we first build a covariance-based parameter sensitivity analysis framework to quantify the sensitivity of each parameter in a model to domain shifts. By computing the covariance of parameter gradients across multiple source domains, we can identify parameters that are more susceptible to domain variations, which serves as our theoretical foundation. Based on this, we propose Domain-Sensitive Parameter Regularization (DSP-Reg), a principled framework that guides model optimization by a soft regularization technique that encourages the model to rely more on domain-invariant parameters while suppressing those that are domain-specific. This approach provides a more granular control over the model's learning process, leading to improved robustness and generalization to unseen domains. Extensive experiments on benchmarks, such as PACS, VLCS, OfficeHome, and DomainNet, demonstrate that DSP-Reg outperforms state-of-the-art approaches, achieving an average accuracy of 66.7\% and surpassing all baselines.

The annealing phase is a pivotal convergence stage in LLM pre-training that ultimately determines final model quality. However, effectively selecting training data during this phase remains a key challenge. Current strategies rely on empirical heuristics, such as domain filtering or context extension, which lack a principled grounding in optimization theory. In this work, we characterize the annealing phase through the lens of the loss landscape's spectral geometry. We argue that optimal convergence requires gradient updates to satisfy heterogeneous constraints across different eigen-directions. Building on this insight, we formulate data selection as a problem of satisfying these directional constraints. To this end, we propose DiReCT (Directionally-Restrained Constrained Training), a novel framework that reformulates sample selection in the annealing stage as a constrained optimization problem. By imposing explicit directional constraints on per-sample gradients based on the spectral properties of the Hessian, DiReCT identifies samples that align with the optimal curvature-aware descent path. Extensive experiments across various model scales demonstrate that DiReCT consistently achieves state-of-the-art performance. For future research, code is available at https://github.com/xuyj233/Direct.

Zeroth-Order (ZO) optimization has emerged as a promising solution for fine-tuning LLMs under strict memory constraints, as it avoids the prohibitive memory cost of storing activations for backpropagation. However, existing ZO methods typically employ isotropic perturbations, neglecting the rich structural information available during the forward pass. In this paper, we identify a crucial link between gradient formation and activation structure: the gradient of a linear layer is confined to the subspace spanned by its input activations. Leveraging this insight, we propose Activation-Guided Zeroth-Order optimization (AGZO). Unlike prior methods, AGZO extracts a compact, activation-informed subspace on the fly during the forward pass and restricts perturbations to this low-rank subspace. We provide a theoretical framework showing that AGZO optimizes a subspace-smoothed objective and provably yields update directions with higher cosine similarity to the true gradient than isotropic baselines. Empirically, we evaluate AGZO on Qwen3 and Pangu models across various benchmarks. AGZO consistently outperforms state-of-the-art ZO baselines and significantly narrows the performance gap with first-order fine-tuning, while maintaining almost the same peak memory footprint as other ZO methods.

Safety alignment in Large Language Models (LLMs) often involves mediating internal representations to refuse harmful requests. Recent research has demonstrated that these safety mechanisms can be bypassed by ablating or removing specific representational directions within the model. In this paper, we propose the opposite approach: Rank-One Safety Injection (ROSI), a white-box method that amplifies a model's safety alignment by permanently steering its activations toward the refusal-mediating subspace. ROSI operates as a simple, fine-tuning-free rank-one weight modification applied to all residual stream write matrices. The required safety direction can be computed from a small set of harmful and harmless instruction pairs. We show that ROSI consistently increases safety refusal rates - as evaluated by Llama Guard 3 - while preserving the utility of the model on standard benchmarks such as MMLU, HellaSwag, and Arc. Furthermore, we show that ROSI can also re-align 'uncensored' models by amplifying their own latent safety directions, demonstrating its utility as an effective last-mile safety procedure. Our results suggest that targeted, interpretable weight steering is a cheap and potent mechanism to improve LLM safety, complementing more resource-intensive fine-tuning paradigms.

Robust validation metrics remain essential in contemporary deep learning, not only to detect overfitting and poor generalization, but also to monitor training dynamics. In the supervised classification setting, we investigate whether interactions between training data and model weights can yield such a metric that both tracks generalization during training and attributes performance to individual training samples. We introduce Gradient-Weight Alignment (GWA), quantifying the coherence between per-sample gradients and model weights. We show that effective learning corresponds to coherent alignment, while misalignment indicates deteriorating generalization. GWA is efficiently computable during training and reflects both sample-specific contributions and dataset-wide learning dynamics. Extensive experiments show that GWA accurately predicts optimal early stopping, enables principled model comparisons, and identifies influential training samples, providing a validation-set-free approach for model analysis directly from the training data.

Adapting Large Language Models (LLMs) to specialized domains requires high-quality instruction tuning datasets, which are expensive to create through human annotation. Existing data synthesis methods focus on general-purpose tasks and fail to capture domain-specific terminology and reasoning patterns. To address this, we introduce DS^2-Instruct, a zero-shot framework that generates domain-specific instruction datasets without human supervision. Our approach first generates task-informed keywords to ensure comprehensive domain coverage. It then creates diverse instructions by pairing these keywords with different cognitive levels from Bloom's Taxonomy. Finally, it uses self-consistency validation to ensure data quality. We apply this framework to generate datasets across seven challenging domains, such as mathematics, finance, and logical reasoning. Comprehensive evaluation demonstrates that models fine-tuned on our generated data achieve substantial improvements over existing data generation methods.

Recent Meta-learning for Black-Box Optimization (MetaBBO) methods harness neural networks to meta-learn configurations of traditional black-box optimizers. Despite their success, they are inevitably restricted by the limitations of predefined hand-crafted optimizers. In this paper, we present Symbol, a novel framework that promotes the automated discovery of black-box optimizers through symbolic equation learning. Specifically, we propose a Symbolic Equation Generator (SEG) that allows closed-form optimization rules to be dynamically generated for specific tasks and optimization steps. Within Symbol, we then develop three distinct strategies based on reinforcement learning, so as to meta-learn the SEG efficiently. Extensive experiments reveal that the optimizers generated by Symbol not only surpass the state-of-the-art BBO and MetaBBO baselines, but also exhibit exceptional zero-shot generalization abilities across entirely unseen tasks with different problem dimensions, population sizes, and optimization horizons. Furthermore, we conduct in-depth analyses of our Symbol framework and the optimization rules that it generates, underscoring its desirable flexibility and interpretability.

Optimal configuration of the learning rate (LR) is a fundamental yet formidable challenge in large-scale pre-training. Given the stringent trade-off between training costs and model performance, the pivotal question is whether the optimal LR can be accurately extrapolated from low-cost experiments. In this paper, we formalize this investigation into two distinct research paradigms: Fitting and Transfer. Within the Fitting Paradigm, we innovatively introduce a Scaling Law for search factor, effectively reducing the search complexity from O(n^3) to O(n*C_D*C_η) via predictive modeling. Within the Transfer Paradigm, we extend the principles of μTransfer to the Mixture of Experts (MoE) architecture, broadening its applicability to encompass model depth, weight decay, and token horizons. By pushing the boundaries of existing hyperparameter research in terms of scale, we conduct a comprehensive comparison between these two paradigms. Our empirical results challenge the scalability of the widely adopted μ Transfer in large-scale pre-training scenarios. Furthermore, we provide a rigorous analysis through the dual lenses of training stability and feature learning to elucidate the underlying reasons why module-wise parameter tuning underperforms in large-scale settings. This work offers systematic practical guidelines and a fresh theoretical perspective for optimizing industrial-level pre-training.

Parameter-efficient fine-tuning (PEFT) is a standard way to adapt multimodal large language models, yet extremely low-rank settings -- especially rank-1 LoRA -- are often unstable. We show that this instability is not solely due to limited capacity: in the rank-1 regime, optimization is highly sensitive to the update direction. Concretely, pretrained vision and text features form mismatched anisotropic regions, yielding a dominant "gap" direction that acts like a translation component and disproportionately steers early gradients under rank-1 constraints. Analyzing pretrained representations, we identify a modality-gap axis that dominates early gradient flow, while a random rank-1 initialization is unlikely to align with it, leading to weak gradients and training collapse. We propose Gap-Init, a geometry-aware initialization that aligns the rank-1 LoRA direction with an estimated modality-gap vector from a small calibration set, while keeping the initial LoRA update zero. Across multiple vision-language tasks and backbones, Gap-Init consistently stabilizes rank-1 training and can match or outperform strong rank-8 baselines. Our results suggest that at the extreme low-rank limit, initial alignment can matter as much as rank itself.

Large Language Models (LLMs) have already been widely adopted for automated algorithm design, demonstrating strong abilities in generating and evolving algorithms across various fields. Existing work has largely focused on examining their effectiveness in solving specific problems, with search strategies primarily guided by adaptive prompt designs. In this paper, through investigating the token-wise attribution of the prompts to LLM-generated algorithmic codes, we show that providing high-quality algorithmic code examples can substantially improve the performance of the LLM-driven optimization. Building upon this insight, we propose leveraging prior benchmark algorithms to guide LLM-driven optimization and demonstrate superior performance on two black-box optimization benchmarks: the pseudo-Boolean optimization suite (pbo) and the black-box optimization suite (bbob). Our findings highlight the value of integrating benchmarking studies to enhance both efficiency and robustness of the LLM-driven black-box optimization methods.

This paper introduces an end-to-end residual network that operates entirely on the Poincar\'e ball model of hyperbolic space. Hyperbolic learning has recently shown great potential for visual understanding, but is currently only performed in the penultimate layer(s) of deep networks. All visual representations are still learned through standard Euclidean networks. In this paper we investigate how to learn hyperbolic representations of visual data directly from the pixel-level. We propose Poincar\'e ResNet, a hyperbolic counterpart of the celebrated residual network, starting from Poincar\'e 2D convolutions up to Poincar\'e residual connections. We identify three roadblocks for training convolutional networks entirely in hyperbolic space and propose a solution for each: (i) Current hyperbolic network initializations collapse to the origin, limiting their applicability in deeper networks. We provide an identity-based initialization that preserves norms over many layers. (ii) Residual networks rely heavily on batch normalization, which comes with expensive Fr\'echet mean calculations in hyperbolic space. We introduce Poincar\'e midpoint batch normalization as a faster and equally effective alternative. (iii) Due to the many intermediate operations in Poincar\'e layers, we lastly find that the computation graphs of deep learning libraries blow up, limiting our ability to train on deep hyperbolic networks. We provide manual backward derivations of core hyperbolic operations to maintain manageable computation graphs.

Instruction-tuning can be substantially optimized through enhanced diversity, resulting in models capable of handling a broader spectrum of tasks. However, existing data employed for such tuning often exhibit an inadequate coverage of individual domains, limiting the scope for nuanced comprehension and interactions within these areas. To address this deficiency, we propose Explore-Instruct, a novel approach to enhance the data coverage to be used in domain-specific instruction-tuning through active exploration via Large Language Models (LLMs). Built upon representative domain use cases, Explore-Instruct explores a multitude of variations or possibilities by implementing a search algorithm to obtain diversified and domain-focused instruction-tuning data. Our data-centric analysis validates the effectiveness of this proposed approach in improving domain-specific instruction coverage. Moreover, our model's performance demonstrates considerable advancements over multiple baselines, including those utilizing domain-specific data enhancement. Our findings offer a promising opportunity to improve instruction coverage, especially in domain-specific contexts, thereby advancing the development of adaptable language models. Our code, model weights, and data are public at https://github.com/fanqiwan/Explore-Instruct.

We present an open-source, pip installable toolkit, Sig-Networks, the first of its kind for longitudinal language modelling. A central focus is the incorporation of Signature-based Neural Network models, which have recently shown success in temporal tasks. We apply and extend published research providing a full suite of signature-based models. Their components can be used as PyTorch building blocks in future architectures. Sig-Networks enables task-agnostic dataset plug-in, seamless pre-processing for sequential data, parameter flexibility, automated tuning across a range of models. We examine signature networks under three different NLP tasks of varying temporal granularity: counselling conversations, rumour stance switch and mood changes in social media threads, showing SOTA performance in all three, and provide guidance for future tasks. We release the Toolkit as a PyTorch package with an introductory video, Git repositories for preprocessing and modelling including sample notebooks on the modeled NLP tasks.

Diffusion models achieve strong performance in generative modeling, but their success often relies heavily on classifier-free guidance (CFG), an inference-time heuristic that modifies the sampling trajectory. In theory, diffusion models trained with standard denoising score matching (DSM) should recover the target data distribution, raising two fundamental questions: (i) why is inference-time guidance necessary in practice, and (ii) can its underlying effect be internalized into a principled training objective? In this work, we argue that a key limitation of standard DSM is insufficient inter-class separation. To address this issue, we propose MCLR, an alignment objective that explicitly maximizes inter-class likelihood-ratios during training. Fine-tuning diffusion models with MCLR induces CFG-like improvements under standard sampling, substantially improving guidance-free conditional generation and narrowing the gap to inference-time CFG. Beyond these empirical benefits, we show theoretically that the CFG-guided score is exactly the optimal solution to a sample-adaptive weighted MCLR objective. This result connects CFG to alignment-based objectives, providing a mechanistic interpretation of CFG as an implicit inference-time contrastive alignment procedure.

We propose a novel approach to scaling LLM inference for code generation. We frame code generation as a black box optimization problem within the code space, and employ optimization-inspired techniques to enhance exploration. Specifically, we introduce Scattered Forest Search to enhance solution diversity while searching for solutions. Our theoretical analysis illustrates how these methods avoid local optima during optimization. Extensive experiments on HumanEval, MBPP, APPS, CodeContests, and Leetcode reveal significant performance improvements. For instance, our method achieves a pass@1 rate of 67.1% on HumanEval+ and 87.2% on HumanEval with GPT-3.5, marking improvements of 8.6% and 4.3% over the state-of-the-art, while also halving the iterations needed to find the correct solution. Furthermore, our method scales more efficiently than existing search techniques, including tree search, line search, and repeated sampling.

Diffusion language models (DLMs) have recently emerged as a compelling alternative to autoregressive generation, offering parallel generation and improved global coherence. During inference, DLMs generate text by iteratively denoising masked sequences in parallel; however, determining which positions to unmask and which tokens to commit forms a large combinatorial search problem. Existing inference methods approximate this search using heuristics, which often yield suboptimal decoding paths; other approaches instead rely on additional training to guide token selection. To introduce a principled search mechanism for DLMs inference, we introduce MEDAL, a framework that integrates Monte Carlo Tree SEarch initialization for Diffusion LAnguage Model inference. We employ Monte Carlo Tree Search at the initialization stage to explore promising unmasking trajectories, providing a robust starting point for subsequent refinement. This integration is enabled by restricting the search space to high-confidence actions and prioritizing token choices that improve model confidence over remaining masked positions. Across multiple benchmarks, MEDAL achieves up to 22.0% improvement over existing inference strategies, establishing a new paradigm for search-based inference in diffusion language models.

Automated theorem proving with large language models in Lean 4 is commonly approached through either step-level tactic prediction with tree search or whole-proof generation. These two paradigms represent opposite granularities for constructing supervised training data: the former provides dense local signals but may fragment coherent proof processes, while the latter preserves global structure but requires complex end-to-end generation. In this paper, we revisit supervision granularity as a training set construction problem over proof trajectories and propose segment-level supervision, a training data construction strategy that extracts locally coherent proof segments for training policy models. We further reuse the same strategy at inference time to trigger short rollouts for existing step-level models. When trained with segment-level supervision on STP, LeanWorkbook, and NuminaMath-LEAN, the resulting policy models achieve proof success rates of 64.84%, 60.90%, and 66.31% on miniF2F, respectively, consistently outperforming both step-level and whole-proof baselines. Goal-aware rollout further improves existing step-level provers while reducing inference costs. It increases the proof success rate of BFS-Prover-V2-7B from 68.77% to 70.74% and that of InternLM2.5-StepProver from 59.59% to 60.33%, showing that appropriate supervision granularity better aligns model learning with proof structure and search. Code and models are available at https://github.com/NJUDeepEngine/SEG-ATP.

Classifier-Free Guidance (CFG) is a critical technique for enhancing the sample quality of visual generative models. However, in autoregressive (AR) multi-modal generation, CFG introduces design inconsistencies between language and visual content, contradicting the design philosophy of unifying different modalities for visual AR. Motivated by language model alignment methods, we propose Condition Contrastive Alignment (CCA) to facilitate guidance-free AR visual generation with high performance and analyze its theoretical connection with guided sampling methods. Unlike guidance methods that alter the sampling process to achieve the ideal sampling distribution, CCA directly fine-tunes pretrained models to fit the same distribution target. Experimental results show that CCA can significantly enhance the guidance-free performance of all tested models with just one epoch of fine-tuning (sim 1\% of pretraining epochs) on the pretraining dataset, on par with guided sampling methods. This largely removes the need for guided sampling in AR visual generation and cuts the sampling cost by half. Moreover, by adjusting training parameters, CCA can achieve trade-offs between sample diversity and fidelity similar to CFG. This experimentally confirms the strong theoretical connection between language-targeted alignment and visual-targeted guidance methods, unifying two previously independent research fields. Code and model weights: https://github.com/thu-ml/CCA.

The synthesis of inductive loop invariants remains a critical bottleneck in automated program verification. While Large Language Models (LLMs) show promise in mitigating this issue, they often fail on complex programs, producing invariants that are invalid or computationally ineffective. Although fine-tuning is a natural strategy to address these limitations, obtaining high-quality training data remains an open challenge. We first formalize the properties required for a high-quality training invariant, and then present Wonda, a rigorous data curation pipeline that extracts such invariants from raw verifier output via AST-based normalization followed by LLM-driven semantic rewriting and augmentation with provable quality guarantees. Fine-tuning Small Language Models (SLMs) on Wonda-curated data yields consistent gains across the Qwen3, Llama-3.1, and Mistral families: the 4B and 8B Qwen3 models nearly double invariant correctness and double speedup rates, while Llama-3.1-8B triples both. On the challenging InvBench suite, the same 4B model outperforms an off-the-shelf model 20x its size and matches the end-to-end verification time of GPT-OSS-120B, while a 14B Qwen3 model matches that of the frontier model GPT-5.2, all without test-time compute overhead. Our code is publicly available on GitHub.

Fill-in-the-Middle (FIM) has become integral to code language models, enabling generation of missing code given both left and right contexts. However, the current FIM training paradigm, which reorders original training sequences and then performs regular next-token prediction (NTP), often leads to models struggling to generate content that aligns smoothly with the surrounding context. Crucially, while existing works rely on rule-based post-processing to circumvent this weakness, such methods are not practically usable in open-domain code completion tasks as they depend on restrictive, dataset-specific assumptions (e.g., generating the same number of lines as in the ground truth). Moreover, model performance on FIM tasks deteriorates significantly without these unrealistic assumptions. We hypothesize that NTP alone is insufficient for models to learn effective planning conditioned on the distant right context, a critical factor for successful code infilling. To overcome this, we propose Horizon-Length Prediction (HLP), a novel training objective that teaches models to predict the number of remaining middle tokens (i.e., horizon length) at each step. HLP advances FIM with lookahead planning, enabling models to inherently learn infilling boundaries for arbitrary left and right contexts without relying on dataset-specific post-processing. Our evaluation across different models and sizes shows that HLP significantly improves FIM performance by up to 24% relatively on diverse benchmarks, across file-level and repository-level, and without resorting to unrealistic post-processing methods. Furthermore, the enhanced planning capability gained through HLP boosts model performance on code reasoning. Importantly, HLP only incurs negligible training overhead and no additional inference cost, ensuring its practicality for real-world scenarios.